USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 ASN : amide:sc= -5.97! K(o=-8.4!,f=-4.8) USER MOD Set 1.2: A 144 HIS : no HD1:sc= -2.43 K(o=-8.4,f=-7!) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 148:sc= 0.185 USER MOD Single : A 104 LYS NZ :NH3+ 145:sc= -0.101 (180deg=-0.46) USER MOD Single : A 105 ASN : amide:sc= 0.275 X(o=0.28,f=-0.027) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 89:sc= 1.25 USER MOD Single : A 112 ASN : amide:sc= -0.0594 K(o=-0.059,f=-2.1!) USER MOD Single : A 113 LYS NZ :NH3+ -162:sc= -0.0819 (180deg=-0.44) USER MOD Single : A 118 THR OG1 : rot 77:sc= 1.07 USER MOD Single : A 124 ASN : amide:sc= 1.07 K(o=1.1,f=-1.2) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 129:sc= -3.44! 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=-0.00999 USER MOD Single : A 148 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.024) USER MOD Single : A 157 LYS NZ :NH3+ -123:sc= -0.194 (180deg=-2.04!) USER MOD Single : A 158 MET CE :methyl -173:sc= -0.463 (180deg=-0.675) USER MOD Single : A 159 ASN : amide:sc= -0.0239 K(o=-0.024,f=-4.7!) USER MOD Single : A 161 MET CE :methyl 146:sc= -0.674 (180deg=-2.38!) USER MOD Single : A 164 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.1) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.025 -1.585 4.786 1.00 0.29 N ATOM 141 CA VAL A 98 10.824 -3.034 4.632 1.00 0.33 C ATOM 142 C VAL A 98 9.352 -3.394 4.511 1.00 0.25 C ATOM 143 O VAL A 98 8.529 -3.030 5.351 1.00 0.27 O ATOM 144 CB VAL A 98 11.456 -3.860 5.771 1.00 0.49 C ATOM 145 CG1 VAL A 98 10.943 -5.295 5.742 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.965 -3.855 5.654 1.00 0.71 C ATOM 0 HA VAL A 98 11.336 -3.292 3.705 1.00 0.33 H new ATOM 0 HB VAL A 98 11.171 -3.403 6.719 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.401 -5.861 6.553 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.860 -5.297 5.864 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.201 -5.755 4.788 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.395 -4.442 6.465 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.257 -4.289 4.698 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.331 -2.830 5.715 1.00 0.71 H new ATOM 156 N GLY A 99 9.023 -4.109 3.451 1.00 0.21 N ATOM 157 CA GLY A 99 7.660 -4.532 3.258 1.00 0.20 C ATOM 158 C GLY A 99 6.774 -3.379 2.844 1.00 0.15 C ATOM 159 O GLY A 99 5.566 -3.400 3.064 1.00 0.18 O ATOM 0 H GLY A 99 9.675 -4.403 2.723 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.624 -5.311 2.496 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.280 -4.971 4.181 1.00 0.20 H new ATOM 163 N ASN A 100 7.388 -2.363 2.258 1.00 0.13 N ATOM 164 CA ASN A 100 6.690 -1.127 1.926 1.00 0.14 C ATOM 165 C ASN A 100 6.072 -1.263 0.539 1.00 0.14 C ATOM 166 O ASN A 100 6.767 -1.586 -0.426 1.00 0.19 O ATOM 167 CB ASN A 100 7.703 0.029 1.949 1.00 0.21 C ATOM 168 CG ASN A 100 8.234 0.327 3.336 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.804 1.392 3.569 1.00 0.63 O ATOM 170 ND2 ASN A 100 8.029 -0.590 4.276 1.00 0.20 N ATOM 0 H ASN A 100 8.375 -2.369 2.000 1.00 0.13 H new ATOM 0 HA ASN A 100 5.898 -0.927 2.647 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.538 -0.214 1.292 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.231 0.926 1.547 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.348 -0.423 5.230 1.00 0.20 H new ATOM 0 HD22 ASN A 100 7.552 -1.461 4.043 1.00 0.20 H new ATOM 177 N ILE A 101 4.772 -1.034 0.443 1.00 0.12 N ATOM 178 CA ILE A 101 4.071 -1.086 -0.838 1.00 0.13 C ATOM 179 C ILE A 101 3.125 0.094 -0.969 1.00 0.12 C ATOM 180 O ILE A 101 2.806 0.749 0.026 1.00 0.15 O ATOM 181 CB ILE A 101 3.270 -2.395 -1.026 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.189 -2.528 0.052 1.00 0.11 C ATOM 183 CG2 ILE A 101 4.200 -3.598 -1.017 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.425 -3.832 -0.004 1.00 0.13 C ATOM 0 H ILE A 101 4.175 -0.809 1.239 1.00 0.12 H new ATOM 0 HA ILE A 101 4.837 -1.047 -1.612 1.00 0.13 H new ATOM 0 HB ILE A 101 2.775 -2.358 -1.996 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.654 -2.433 1.033 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.486 -1.701 -0.049 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.617 -4.509 -1.151 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.921 -3.506 -1.829 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.729 -3.642 -0.065 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.678 -3.851 0.790 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.929 -3.922 -0.971 1.00 0.13 H new ATOM 0 HD13 ILE A 101 2.116 -4.665 0.128 1.00 0.13 H new ATOM 196 N PHE A 102 2.672 0.361 -2.181 1.00 0.11 N ATOM 197 CA PHE A 102 1.703 1.420 -2.397 1.00 0.11 C ATOM 198 C PHE A 102 0.478 0.872 -3.128 1.00 0.09 C ATOM 199 O PHE A 102 0.590 -0.032 -3.963 1.00 0.11 O ATOM 200 CB PHE A 102 2.348 2.596 -3.153 1.00 0.16 C ATOM 201 CG PHE A 102 1.891 2.774 -4.573 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.786 3.555 -4.872 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.566 2.147 -5.607 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.366 3.705 -6.177 1.00 0.17 C ATOM 205 CE2 PHE A 102 2.153 2.294 -6.912 1.00 0.21 C ATOM 206 CZ PHE A 102 1.046 3.133 -7.191 1.00 0.20 C ATOM 0 H PHE A 102 2.957 -0.137 -3.025 1.00 0.11 H new ATOM 0 HA PHE A 102 1.368 1.801 -1.432 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.143 3.515 -2.605 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.429 2.458 -3.151 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.249 4.050 -4.076 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.428 1.535 -5.387 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.518 4.288 -6.389 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.665 1.778 -7.711 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.748 3.314 -8.213 1.00 0.20 H new ATOM 216 N ILE A 103 -0.686 1.407 -2.787 1.00 0.08 N ATOM 217 CA ILE A 103 -1.953 0.954 -3.346 1.00 0.08 C ATOM 218 C ILE A 103 -2.681 2.122 -4.006 1.00 0.08 C ATOM 219 O ILE A 103 -2.629 3.241 -3.505 1.00 0.15 O ATOM 220 CB ILE A 103 -2.850 0.360 -2.242 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.097 -0.717 -1.466 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.126 -0.219 -2.836 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.359 -0.670 0.018 1.00 0.09 C ATOM 0 H ILE A 103 -0.779 2.168 -2.114 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.742 0.185 -4.089 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.121 1.163 -1.557 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.381 -1.697 -1.848 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.028 -0.604 -1.644 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.744 -0.633 -2.039 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.677 0.568 -3.351 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.872 -1.008 -3.544 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.795 -1.461 0.512 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.049 0.298 0.412 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.423 -0.813 0.204 1.00 0.09 H new ATOM 235 N LYS A 104 -3.353 1.864 -5.121 1.00 0.13 N ATOM 236 CA LYS A 104 -4.056 2.913 -5.852 1.00 0.13 C ATOM 237 C LYS A 104 -5.510 2.527 -6.105 1.00 0.12 C ATOM 238 O LYS A 104 -5.843 1.343 -6.126 1.00 0.14 O ATOM 239 CB LYS A 104 -3.365 3.163 -7.191 1.00 0.19 C ATOM 240 CG LYS A 104 -3.431 4.611 -7.653 1.00 0.28 C ATOM 241 CD LYS A 104 -2.511 4.882 -8.834 1.00 0.39 C ATOM 242 CE LYS A 104 -2.990 4.210 -10.113 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.405 4.541 -10.429 1.00 1.46 N ATOM 0 H LYS A 104 -3.427 0.937 -5.540 1.00 0.13 H new ATOM 0 HA LYS A 104 -4.035 3.818 -5.245 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.320 2.864 -7.112 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.822 2.528 -7.950 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.456 4.855 -7.930 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -3.160 5.267 -6.826 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.441 5.958 -8.997 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.507 4.530 -8.597 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.353 4.517 -10.943 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -2.885 3.130 -10.014 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -4.524 4.607 -11.460 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.027 3.796 -10.055 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.654 5.452 -9.993 1.00 1.46 H new ATOM 257 N ASN A 105 -6.357 3.543 -6.286 1.00 0.12 N ATOM 258 CA ASN A 105 -7.757 3.367 -6.681 1.00 0.13 C ATOM 259 C ASN A 105 -8.583 2.760 -5.541 1.00 0.15 C ATOM 260 O ASN A 105 -9.480 1.945 -5.761 1.00 0.25 O ATOM 261 CB ASN A 105 -7.849 2.520 -7.959 1.00 0.16 C ATOM 262 CG ASN A 105 -9.139 2.759 -8.726 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.257 3.732 -9.470 1.00 0.49 O ATOM 264 ND2 ASN A 105 -10.092 1.859 -8.587 1.00 0.34 N ATOM 0 H ASN A 105 -6.088 4.519 -6.162 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.180 4.348 -6.896 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -7.000 2.748 -8.603 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.776 1.464 -7.697 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.965 1.956 -9.106 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.957 1.066 -7.960 1.00 0.34 H new ATOM 271 N LEU A 106 -8.279 3.190 -4.322 1.00 0.14 N ATOM 272 CA LEU A 106 -9.033 2.784 -3.138 1.00 0.17 C ATOM 273 C LEU A 106 -10.327 3.581 -3.012 1.00 0.22 C ATOM 274 O LEU A 106 -10.491 4.632 -3.637 1.00 0.26 O ATOM 275 CB LEU A 106 -8.189 2.985 -1.878 1.00 0.16 C ATOM 276 CG LEU A 106 -7.070 1.967 -1.675 1.00 0.14 C ATOM 277 CD1 LEU A 106 -5.964 2.552 -0.824 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.621 0.715 -1.017 1.00 0.16 C ATOM 0 H LEU A 106 -7.507 3.827 -4.125 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.281 1.728 -3.247 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.750 3.982 -1.910 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.848 2.954 -1.010 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.657 1.708 -2.650 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.176 1.810 -0.691 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.553 3.433 -1.317 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.365 2.834 0.150 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.816 -0.006 -0.876 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.052 0.972 -0.049 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.391 0.279 -1.653 1.00 0.16 H new ATOM 290 N ASP A 107 -11.240 3.080 -2.193 1.00 0.27 N ATOM 291 CA ASP A 107 -12.507 3.756 -1.953 1.00 0.32 C ATOM 292 C ASP A 107 -12.425 4.575 -0.673 1.00 0.30 C ATOM 293 O ASP A 107 -11.596 4.295 0.195 1.00 0.26 O ATOM 294 CB ASP A 107 -13.649 2.738 -1.855 1.00 0.37 C ATOM 295 CG ASP A 107 -15.014 3.400 -1.792 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.597 3.671 -2.860 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.512 3.641 -0.674 1.00 0.71 O ATOM 0 H ASP A 107 -11.127 2.205 -1.682 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.710 4.424 -2.790 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.612 2.071 -2.716 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.507 2.121 -0.968 1.00 0.37 H new ATOM 302 N LYS A 108 -13.280 5.582 -0.557 1.00 0.38 N ATOM 303 CA LYS A 108 -13.314 6.435 0.628 1.00 0.43 C ATOM 304 C LYS A 108 -13.685 5.634 1.875 1.00 0.36 C ATOM 305 O LYS A 108 -13.288 5.977 2.989 1.00 0.46 O ATOM 306 CB LYS A 108 -14.300 7.592 0.443 1.00 0.55 C ATOM 307 CG LYS A 108 -15.746 7.164 0.234 1.00 0.57 C ATOM 308 CD LYS A 108 -16.693 8.321 0.473 1.00 0.90 C ATOM 309 CE LYS A 108 -18.134 7.945 0.170 1.00 1.21 C ATOM 310 NZ LYS A 108 -19.065 9.068 0.449 1.00 2.20 N ATOM 0 H LYS A 108 -13.964 5.831 -1.272 1.00 0.38 H new ATOM 0 HA LYS A 108 -12.313 6.844 0.763 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -14.249 8.239 1.319 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -13.984 8.188 -0.413 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -15.875 6.787 -0.781 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -15.988 6.345 0.911 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -16.613 8.647 1.510 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -16.399 9.165 -0.150 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.221 7.651 -0.876 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.418 7.080 0.769 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -20.038 8.774 0.231 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -19.000 9.332 1.453 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -18.809 9.886 -0.141 1.00 2.20 H new ATOM 324 N SER A 109 -14.452 4.569 1.682 1.00 0.31 N ATOM 325 CA SER A 109 -14.851 3.692 2.763 1.00 0.40 C ATOM 326 C SER A 109 -13.670 2.878 3.306 1.00 0.34 C ATOM 327 O SER A 109 -13.803 2.161 4.297 1.00 0.43 O ATOM 328 CB SER A 109 -15.941 2.757 2.258 1.00 0.56 C ATOM 329 OG SER A 109 -16.924 3.468 1.522 1.00 1.41 O ATOM 0 H SER A 109 -14.813 4.293 0.769 1.00 0.31 H new ATOM 0 HA SER A 109 -15.225 4.304 3.584 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.499 1.985 1.628 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.410 2.251 3.102 1.00 0.56 H new ATOM 0 HG SER A 109 -16.659 3.512 0.580 1.00 1.41 H new ATOM 335 N ILE A 110 -12.518 2.977 2.652 1.00 0.23 N ATOM 336 CA ILE A 110 -11.331 2.274 3.108 1.00 0.20 C ATOM 337 C ILE A 110 -10.546 3.135 4.087 1.00 0.20 C ATOM 338 O ILE A 110 -10.037 4.198 3.734 1.00 0.26 O ATOM 339 CB ILE A 110 -10.428 1.853 1.925 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.132 0.781 1.090 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.078 1.343 2.419 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.416 -0.492 1.861 1.00 0.23 C ATOM 0 H ILE A 110 -12.384 3.535 1.809 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.661 1.368 3.616 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.246 2.728 1.302 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.071 1.185 0.711 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.515 0.542 0.224 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.464 1.054 1.566 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.574 2.131 2.979 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.230 0.479 3.066 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -11.916 -1.208 1.209 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.478 -0.918 2.217 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.058 -0.266 2.712 1.00 0.23 H new ATOM 354 N ASP A 111 -10.487 2.679 5.329 1.00 0.17 N ATOM 355 CA ASP A 111 -9.752 3.355 6.373 1.00 0.18 C ATOM 356 C ASP A 111 -8.449 2.602 6.619 1.00 0.14 C ATOM 357 O ASP A 111 -8.152 1.640 5.909 1.00 0.13 O ATOM 358 CB ASP A 111 -10.602 3.396 7.643 1.00 0.23 C ATOM 359 CG ASP A 111 -12.002 3.914 7.390 1.00 1.01 C ATOM 360 OD1 ASP A 111 -12.150 5.113 7.080 1.00 1.23 O ATOM 361 OD2 ASP A 111 -12.961 3.119 7.496 1.00 1.59 O ATOM 0 H ASP A 111 -10.952 1.825 5.637 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.522 4.379 6.078 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -10.661 2.394 8.069 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.113 4.029 8.383 1.00 0.23 H new ATOM 366 N ASN A 112 -7.692 2.996 7.637 1.00 0.15 N ATOM 367 CA ASN A 112 -6.393 2.382 7.893 1.00 0.13 C ATOM 368 C ASN A 112 -6.628 0.975 8.393 1.00 0.11 C ATOM 369 O ASN A 112 -5.873 0.052 8.108 1.00 0.12 O ATOM 370 CB ASN A 112 -5.601 3.176 8.938 1.00 0.16 C ATOM 371 CG ASN A 112 -5.205 4.569 8.478 1.00 0.19 C ATOM 372 OD1 ASN A 112 -5.823 5.152 7.588 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.181 5.124 9.105 1.00 0.55 N ATOM 0 H ASN A 112 -7.952 3.732 8.294 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.811 2.373 6.972 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.198 3.259 9.846 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.701 2.619 9.198 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -3.880 6.066 8.855 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -3.693 4.610 9.838 1.00 0.55 H new ATOM 380 N LYS A 113 -7.724 0.838 9.112 1.00 0.12 N ATOM 381 CA LYS A 113 -8.171 -0.411 9.656 1.00 0.12 C ATOM 382 C LYS A 113 -8.569 -1.334 8.541 1.00 0.11 C ATOM 383 O LYS A 113 -8.206 -2.491 8.511 1.00 0.11 O ATOM 384 CB LYS A 113 -9.398 -0.100 10.461 1.00 0.15 C ATOM 385 CG LYS A 113 -9.749 -1.040 11.607 1.00 0.28 C ATOM 386 CD LYS A 113 -8.540 -1.630 12.326 1.00 0.54 C ATOM 387 CE LYS A 113 -7.960 -2.813 11.566 1.00 1.63 C ATOM 388 NZ LYS A 113 -8.900 -3.965 11.528 1.00 2.58 N ATOM 0 H LYS A 113 -8.340 1.620 9.335 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.388 -0.882 10.250 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.284 0.903 10.873 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.248 -0.070 9.779 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -10.360 -0.500 12.331 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.360 -1.855 11.219 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -7.775 -0.862 12.444 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -8.830 -1.947 13.328 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -7.720 -2.507 10.548 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -7.026 -3.122 12.035 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -8.378 -4.831 11.284 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -9.345 -4.081 12.461 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -9.635 -3.790 10.813 1.00 2.58 H new ATOM 402 N ALA A 114 -9.341 -0.779 7.641 1.00 0.11 N ATOM 403 CA ALA A 114 -9.876 -1.518 6.508 1.00 0.12 C ATOM 404 C ALA A 114 -8.754 -2.038 5.625 1.00 0.11 C ATOM 405 O ALA A 114 -8.765 -3.193 5.188 1.00 0.13 O ATOM 406 CB ALA A 114 -10.803 -0.623 5.705 1.00 0.15 C ATOM 0 H ALA A 114 -9.622 0.201 7.667 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.437 -2.374 6.883 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.202 -1.180 4.857 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.625 -0.288 6.338 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.249 0.243 5.342 1.00 0.15 H new ATOM 412 N LEU A 115 -7.784 -1.178 5.375 1.00 0.09 N ATOM 413 CA LEU A 115 -6.621 -1.543 4.592 1.00 0.09 C ATOM 414 C LEU A 115 -5.798 -2.573 5.366 1.00 0.08 C ATOM 415 O LEU A 115 -5.418 -3.613 4.825 1.00 0.09 O ATOM 416 CB LEU A 115 -5.809 -0.273 4.299 1.00 0.10 C ATOM 417 CG LEU A 115 -4.836 -0.345 3.121 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.238 1.022 2.846 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.740 -1.348 3.389 1.00 0.11 C ATOM 0 H LEU A 115 -7.781 -0.214 5.707 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.914 -1.992 3.643 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.507 0.544 4.116 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.243 -0.015 5.194 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.391 -0.671 2.241 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.548 0.955 2.005 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -5.035 1.726 2.606 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.701 1.369 3.729 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.061 -1.381 2.537 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.188 -1.054 4.282 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.179 -2.334 3.542 1.00 0.11 H new ATOM 431 N TYR A 116 -5.569 -2.296 6.643 1.00 0.08 N ATOM 432 CA TYR A 116 -4.861 -3.219 7.516 1.00 0.09 C ATOM 433 C TYR A 116 -5.577 -4.557 7.589 1.00 0.10 C ATOM 434 O TYR A 116 -4.954 -5.598 7.447 1.00 0.11 O ATOM 435 CB TYR A 116 -4.722 -2.628 8.922 1.00 0.10 C ATOM 436 CG TYR A 116 -4.175 -3.600 9.941 1.00 0.13 C ATOM 437 CD1 TYR A 116 -2.810 -3.838 10.044 1.00 0.19 C ATOM 438 CD2 TYR A 116 -5.022 -4.270 10.808 1.00 0.18 C ATOM 439 CE1 TYR A 116 -2.309 -4.719 10.983 1.00 0.24 C ATOM 440 CE2 TYR A 116 -4.529 -5.153 11.749 1.00 0.23 C ATOM 441 CZ TYR A 116 -3.162 -5.403 11.797 1.00 0.23 C ATOM 442 OH TYR A 116 -2.683 -6.260 12.761 1.00 0.30 O ATOM 0 H TYR A 116 -5.866 -1.433 7.098 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.868 -3.379 7.097 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.068 -1.757 8.877 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.698 -2.277 9.256 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -2.130 -3.326 9.379 1.00 0.19 H new ATOM 0 HD2 TYR A 116 -6.087 -4.099 10.747 1.00 0.18 H new ATOM 0 HE1 TYR A 116 -1.243 -4.866 11.072 1.00 0.24 H new ATOM 0 HE2 TYR A 116 -5.198 -5.644 12.440 1.00 0.23 H new ATOM 0 HH TYR A 116 -3.435 -6.659 13.247 1.00 0.30 H new ATOM 452 N ASP A 117 -6.891 -4.519 7.781 1.00 0.10 N ATOM 453 CA ASP A 117 -7.675 -5.737 7.947 1.00 0.12 C ATOM 454 C ASP A 117 -7.493 -6.665 6.757 1.00 0.12 C ATOM 455 O ASP A 117 -7.379 -7.879 6.913 1.00 0.15 O ATOM 456 CB ASP A 117 -9.158 -5.391 8.085 1.00 0.16 C ATOM 457 CG ASP A 117 -10.019 -6.610 8.356 1.00 0.27 C ATOM 458 OD1 ASP A 117 -9.962 -7.146 9.483 1.00 0.36 O ATOM 459 OD2 ASP A 117 -10.768 -7.028 7.448 1.00 0.40 O ATOM 0 H ASP A 117 -7.436 -3.658 7.826 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.326 -6.241 8.848 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.286 -4.673 8.895 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.500 -4.905 7.171 1.00 0.16 H new ATOM 464 N THR A 118 -7.451 -6.085 5.575 1.00 0.11 N ATOM 465 CA THR A 118 -7.320 -6.861 4.361 1.00 0.11 C ATOM 466 C THR A 118 -5.875 -7.335 4.139 1.00 0.10 C ATOM 467 O THR A 118 -5.622 -8.529 3.978 1.00 0.12 O ATOM 468 CB THR A 118 -7.783 -6.023 3.156 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.034 -5.386 3.464 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.945 -6.892 1.922 1.00 0.17 C ATOM 0 H THR A 118 -7.506 -5.077 5.430 1.00 0.11 H new ATOM 0 HA THR A 118 -7.949 -7.746 4.462 1.00 0.11 H new ATOM 0 HB THR A 118 -7.025 -5.268 2.949 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.873 -4.612 4.043 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.273 -6.277 1.084 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.991 -7.359 1.678 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.688 -7.665 2.117 1.00 0.17 H new ATOM 478 N PHE A 119 -4.932 -6.398 4.153 1.00 0.08 N ATOM 479 CA PHE A 119 -3.537 -6.703 3.831 1.00 0.08 C ATOM 480 C PHE A 119 -2.833 -7.499 4.936 1.00 0.08 C ATOM 481 O PHE A 119 -1.929 -8.281 4.653 1.00 0.09 O ATOM 482 CB PHE A 119 -2.761 -5.427 3.481 1.00 0.08 C ATOM 483 CG PHE A 119 -3.183 -4.804 2.169 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.463 -4.286 1.994 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.302 -4.749 1.102 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.842 -3.733 0.789 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.678 -4.197 -0.104 1.00 0.10 C ATOM 488 CZ PHE A 119 -3.969 -3.626 -0.226 1.00 0.09 C ATOM 0 H PHE A 119 -5.106 -5.420 4.384 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.552 -7.346 2.951 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.897 -4.698 4.280 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.697 -5.659 3.438 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.168 -4.318 2.812 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.304 -5.145 1.217 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.855 -3.381 0.660 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -1.999 -4.200 -0.943 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.250 -3.107 -1.131 1.00 0.09 H new ATOM 498 N SER A 120 -3.245 -7.309 6.188 1.00 0.09 N ATOM 499 CA SER A 120 -2.602 -7.984 7.321 1.00 0.09 C ATOM 500 C SER A 120 -2.666 -9.504 7.167 1.00 0.08 C ATOM 501 O SER A 120 -1.815 -10.224 7.691 1.00 0.09 O ATOM 502 CB SER A 120 -3.209 -7.549 8.663 1.00 0.13 C ATOM 503 OG SER A 120 -2.480 -8.095 9.750 1.00 0.19 O ATOM 0 H SER A 120 -4.018 -6.696 6.446 1.00 0.09 H new ATOM 0 HA SER A 120 -1.554 -7.684 7.320 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.210 -6.461 8.731 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.248 -7.872 8.718 1.00 0.13 H new ATOM 0 HG SER A 120 -2.505 -7.472 10.506 1.00 0.19 H new ATOM 509 N ALA A 121 -3.688 -9.991 6.472 1.00 0.09 N ATOM 510 CA ALA A 121 -3.818 -11.421 6.196 1.00 0.11 C ATOM 511 C ALA A 121 -2.584 -11.970 5.467 1.00 0.11 C ATOM 512 O ALA A 121 -2.310 -13.171 5.511 1.00 0.13 O ATOM 513 CB ALA A 121 -5.072 -11.681 5.375 1.00 0.14 C ATOM 0 H ALA A 121 -4.440 -9.418 6.088 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.897 -11.941 7.151 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.161 -12.749 5.174 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.947 -11.342 5.930 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -5.008 -11.139 4.432 1.00 0.14 H new ATOM 519 N PHE A 122 -1.840 -11.085 4.806 1.00 0.08 N ATOM 520 CA PHE A 122 -0.644 -11.478 4.063 1.00 0.09 C ATOM 521 C PHE A 122 0.601 -11.375 4.938 1.00 0.10 C ATOM 522 O PHE A 122 1.671 -11.869 4.577 1.00 0.18 O ATOM 523 CB PHE A 122 -0.486 -10.596 2.822 1.00 0.09 C ATOM 524 CG PHE A 122 -1.750 -10.499 2.028 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.347 -11.638 1.525 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.356 -9.275 1.810 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.528 -11.560 0.819 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.535 -9.190 1.100 1.00 0.12 C ATOM 529 CZ PHE A 122 -4.123 -10.334 0.604 1.00 0.13 C ATOM 0 H PHE A 122 -2.046 -10.087 4.770 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.759 -12.517 3.754 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.174 -9.597 3.127 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.306 -10.999 2.191 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.884 -12.600 1.687 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.901 -8.376 2.200 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.988 -12.458 0.434 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -3.997 -8.228 0.933 1.00 0.12 H new ATOM 0 HZ PHE A 122 -5.047 -10.271 0.049 1.00 0.13 H new ATOM 539 N GLY A 123 0.451 -10.738 6.089 1.00 0.09 N ATOM 540 CA GLY A 123 1.556 -10.578 7.009 1.00 0.10 C ATOM 541 C GLY A 123 1.308 -9.457 7.993 1.00 0.09 C ATOM 542 O GLY A 123 0.452 -8.602 7.760 1.00 0.11 O ATOM 0 H GLY A 123 -0.427 -10.325 6.404 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.715 -11.510 7.552 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.469 -10.375 6.449 1.00 0.10 H new ATOM 546 N ASN A 124 2.036 -9.465 9.098 1.00 0.13 N ATOM 547 CA ASN A 124 1.905 -8.413 10.100 1.00 0.14 C ATOM 548 C ASN A 124 2.295 -7.069 9.504 1.00 0.11 C ATOM 549 O ASN A 124 3.254 -6.968 8.740 1.00 0.14 O ATOM 550 CB ASN A 124 2.775 -8.713 11.325 1.00 0.18 C ATOM 551 CG ASN A 124 2.622 -7.672 12.421 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.555 -7.080 12.591 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.683 -7.445 13.179 1.00 0.25 N ATOM 0 H ASN A 124 2.722 -10.184 9.326 1.00 0.13 H new ATOM 0 HA ASN A 124 0.863 -8.375 10.418 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.512 -9.694 11.721 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.820 -8.763 11.020 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.634 -6.761 13.934 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.550 -7.955 13.009 1.00 0.25 H new ATOM 560 N ILE A 125 1.540 -6.046 9.846 1.00 0.11 N ATOM 561 CA ILE A 125 1.783 -4.708 9.342 1.00 0.10 C ATOM 562 C ILE A 125 2.275 -3.812 10.470 1.00 0.11 C ATOM 563 O ILE A 125 1.727 -3.847 11.572 1.00 0.14 O ATOM 564 CB ILE A 125 0.498 -4.114 8.726 1.00 0.11 C ATOM 565 CG1 ILE A 125 0.006 -4.995 7.572 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.728 -2.689 8.250 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.275 -4.502 6.931 1.00 0.11 C ATOM 0 H ILE A 125 0.743 -6.116 10.479 1.00 0.11 H new ATOM 0 HA ILE A 125 2.545 -4.765 8.565 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.270 -4.089 9.499 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.785 -5.050 6.811 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.150 -6.008 7.942 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.193 -2.296 7.821 1.00 0.14 H new ATOM 0 HG22 ILE A 125 1.030 -2.068 9.093 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.513 -2.680 7.494 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.560 -5.176 6.123 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.068 -4.474 7.678 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.119 -3.501 6.530 1.00 0.11 H new ATOM 579 N LEU A 126 3.311 -3.025 10.207 1.00 0.13 N ATOM 580 CA LEU A 126 3.856 -2.138 11.227 1.00 0.15 C ATOM 581 C LEU A 126 3.097 -0.824 11.183 1.00 0.16 C ATOM 582 O LEU A 126 2.697 -0.279 12.212 1.00 0.24 O ATOM 583 CB LEU A 126 5.360 -1.858 11.028 1.00 0.19 C ATOM 584 CG LEU A 126 6.295 -3.064 10.811 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.728 -4.344 11.402 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.622 -3.222 9.336 1.00 0.54 C ATOM 0 H LEU A 126 3.787 -2.982 9.306 1.00 0.13 H new ATOM 0 HA LEU A 126 3.742 -2.631 12.192 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.466 -1.194 10.170 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.717 -1.311 11.901 1.00 0.19 H new ATOM 0 HG LEU A 126 7.223 -2.865 11.347 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.422 -5.165 11.224 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.584 -4.217 12.475 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.771 -4.569 10.931 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.283 -4.078 9.200 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.702 -3.381 8.774 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.116 -2.320 8.974 1.00 0.54 H new ATOM 598 N SER A 127 2.882 -0.346 9.967 1.00 0.14 N ATOM 599 CA SER A 127 2.195 0.908 9.730 1.00 0.17 C ATOM 600 C SER A 127 1.367 0.812 8.452 1.00 0.19 C ATOM 601 O SER A 127 1.878 0.412 7.407 1.00 0.37 O ATOM 602 CB SER A 127 3.215 2.044 9.603 1.00 0.19 C ATOM 603 OG SER A 127 3.972 2.200 10.793 1.00 0.76 O ATOM 0 H SER A 127 3.181 -0.821 9.115 1.00 0.14 H new ATOM 0 HA SER A 127 1.532 1.115 10.570 1.00 0.17 H new ATOM 0 HB2 SER A 127 3.886 1.840 8.768 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.697 2.976 9.376 1.00 0.19 H new ATOM 0 HG SER A 127 4.614 2.931 10.679 1.00 0.76 H new ATOM 609 N CYS A 128 0.092 1.143 8.538 1.00 0.18 N ATOM 610 CA CYS A 128 -0.766 1.166 7.363 1.00 0.17 C ATOM 611 C CYS A 128 -1.403 2.539 7.224 1.00 0.16 C ATOM 612 O CYS A 128 -1.847 3.128 8.212 1.00 0.28 O ATOM 613 CB CYS A 128 -1.839 0.081 7.455 1.00 0.21 C ATOM 614 SG CYS A 128 -2.757 0.088 9.013 1.00 0.72 S ATOM 0 H CYS A 128 -0.374 1.400 9.408 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.161 0.964 6.479 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.541 0.207 6.631 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.368 -0.894 7.326 1.00 0.21 H new ATOM 0 HG CYS A 128 -4.033 0.098 8.765 1.00 0.72 H new ATOM 620 N LYS A 129 -1.441 3.055 6.008 1.00 0.13 N ATOM 621 CA LYS A 129 -1.902 4.413 5.790 1.00 0.14 C ATOM 622 C LYS A 129 -2.836 4.508 4.586 1.00 0.12 C ATOM 623 O LYS A 129 -2.523 4.018 3.505 1.00 0.12 O ATOM 624 CB LYS A 129 -0.686 5.334 5.597 1.00 0.18 C ATOM 625 CG LYS A 129 -1.028 6.776 5.246 1.00 0.23 C ATOM 626 CD LYS A 129 -1.737 7.487 6.386 1.00 0.36 C ATOM 627 CE LYS A 129 -2.037 8.937 6.041 1.00 0.47 C ATOM 628 NZ LYS A 129 -2.788 9.619 7.125 1.00 1.00 N ATOM 0 H LYS A 129 -1.160 2.558 5.163 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.471 4.728 6.665 1.00 0.14 H new ATOM 0 HB2 LYS A 129 -0.094 5.328 6.512 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.057 4.922 4.808 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.114 7.315 4.996 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -1.661 6.793 4.359 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.667 6.968 6.617 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -1.118 7.446 7.282 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -1.103 9.467 5.857 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -2.614 8.979 5.117 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -2.973 10.605 6.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -3.691 9.128 7.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -2.226 9.602 8.000 1.00 1.00 H new ATOM 642 N VAL A 130 -3.985 5.136 4.800 1.00 0.15 N ATOM 643 CA VAL A 130 -4.895 5.485 3.726 1.00 0.17 C ATOM 644 C VAL A 130 -4.955 6.989 3.665 1.00 0.20 C ATOM 645 O VAL A 130 -5.461 7.636 4.583 1.00 0.24 O ATOM 646 CB VAL A 130 -6.332 4.947 3.916 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.210 5.362 2.736 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.337 3.436 4.078 1.00 0.21 C ATOM 0 H VAL A 130 -4.309 5.416 5.726 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.515 5.030 2.811 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.739 5.381 4.829 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.220 4.978 2.881 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.242 6.450 2.671 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.796 4.955 1.813 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.361 3.088 4.210 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -5.908 2.973 3.189 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.745 3.162 4.951 1.00 0.21 H new ATOM 658 N VAL A 131 -4.411 7.549 2.619 1.00 0.21 N ATOM 659 CA VAL A 131 -4.329 8.982 2.510 1.00 0.27 C ATOM 660 C VAL A 131 -5.673 9.521 2.058 1.00 0.33 C ATOM 661 O VAL A 131 -6.146 9.216 0.964 1.00 0.33 O ATOM 662 CB VAL A 131 -3.195 9.362 1.552 1.00 0.28 C ATOM 663 CG1 VAL A 131 -2.863 10.842 1.656 1.00 0.34 C ATOM 664 CG2 VAL A 131 -1.979 8.507 1.877 1.00 0.25 C ATOM 0 H VAL A 131 -4.018 7.036 1.830 1.00 0.21 H new ATOM 0 HA VAL A 131 -4.098 9.429 3.477 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.509 9.177 0.525 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -2.055 11.083 0.965 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.744 11.431 1.403 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.551 11.074 2.674 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -1.162 8.765 1.203 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.671 8.688 2.907 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.231 7.454 1.754 1.00 0.25 H new ATOM 766 N GLY A 139 -7.445 8.078 -2.736 1.00 0.27 N ATOM 767 CA GLY A 139 -7.398 6.978 -3.673 1.00 0.26 C ATOM 768 C GLY A 139 -6.225 6.051 -3.458 1.00 0.21 C ATOM 769 O GLY A 139 -6.240 4.918 -3.923 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.322 6.405 -3.595 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.355 7.377 -4.687 1.00 0.26 H new ATOM 773 N TYR A 140 -5.210 6.508 -2.754 1.00 0.19 N ATOM 774 CA TYR A 140 -3.999 5.720 -2.614 1.00 0.15 C ATOM 775 C TYR A 140 -3.604 5.544 -1.154 1.00 0.13 C ATOM 776 O TYR A 140 -3.906 6.386 -0.302 1.00 0.16 O ATOM 777 CB TYR A 140 -2.853 6.338 -3.425 1.00 0.19 C ATOM 778 CG TYR A 140 -2.600 7.801 -3.153 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.324 8.784 -3.816 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.624 8.198 -2.249 1.00 0.31 C ATOM 781 CE1 TYR A 140 -3.081 10.124 -3.581 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.375 9.535 -2.012 1.00 0.39 C ATOM 783 CZ TYR A 140 -2.105 10.493 -2.679 1.00 0.41 C ATOM 784 OH TYR A 140 -1.853 11.825 -2.448 1.00 0.49 O ATOM 0 H TYR A 140 -5.196 7.408 -2.275 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.205 4.727 -3.013 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -1.939 5.781 -3.218 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -3.069 6.213 -4.486 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.087 8.497 -4.525 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -1.051 7.449 -1.723 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.653 10.879 -4.101 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.611 9.828 -1.307 1.00 0.39 H new ATOM 0 HH TYR A 140 -1.137 11.912 -1.785 1.00 0.49 H new ATOM 794 N GLY A 141 -2.939 4.432 -0.879 1.00 0.11 N ATOM 795 CA GLY A 141 -2.512 4.116 0.466 1.00 0.11 C ATOM 796 C GLY A 141 -1.193 3.374 0.465 1.00 0.10 C ATOM 797 O GLY A 141 -0.671 3.041 -0.600 1.00 0.12 O ATOM 0 H GLY A 141 -2.685 3.733 -1.577 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.414 5.035 1.044 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.272 3.509 0.958 1.00 0.11 H new ATOM 801 N PHE A 142 -0.653 3.110 1.647 1.00 0.10 N ATOM 802 CA PHE A 142 0.647 2.458 1.767 1.00 0.10 C ATOM 803 C PHE A 142 0.636 1.437 2.904 1.00 0.10 C ATOM 804 O PHE A 142 0.039 1.680 3.956 1.00 0.14 O ATOM 805 CB PHE A 142 1.745 3.497 2.033 1.00 0.12 C ATOM 806 CG PHE A 142 1.771 4.646 1.056 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.274 4.473 -0.224 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.297 5.901 1.420 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.302 5.524 -1.122 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.325 6.954 0.524 1.00 0.25 C ATOM 811 CZ PHE A 142 1.828 6.766 -0.748 1.00 0.22 C ATOM 0 H PHE A 142 -1.094 3.337 2.538 1.00 0.10 H new ATOM 0 HA PHE A 142 0.853 1.945 0.827 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.614 3.895 3.039 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.713 2.997 2.012 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.649 3.505 -0.524 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.903 6.055 2.413 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.695 5.374 -2.117 1.00 0.19 H new ATOM 0 HE2 PHE A 142 0.953 7.924 0.819 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.851 7.588 -1.448 1.00 0.22 H new ATOM 821 N VAL A 143 1.279 0.292 2.687 1.00 0.08 N ATOM 822 CA VAL A 143 1.432 -0.708 3.742 1.00 0.08 C ATOM 823 C VAL A 143 2.892 -0.879 4.125 1.00 0.08 C ATOM 824 O VAL A 143 3.773 -0.921 3.266 1.00 0.09 O ATOM 825 CB VAL A 143 0.888 -2.095 3.327 1.00 0.08 C ATOM 826 CG1 VAL A 143 1.005 -3.104 4.468 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.550 -1.989 2.873 1.00 0.10 C ATOM 0 H VAL A 143 1.701 0.034 1.795 1.00 0.08 H new ATOM 0 HA VAL A 143 0.854 -0.335 4.588 1.00 0.08 H new ATOM 0 HB VAL A 143 1.496 -2.451 2.496 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.614 -4.068 4.143 1.00 0.07 H new ATOM 0 HG12 VAL A 143 2.052 -3.214 4.751 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.433 -2.751 5.326 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.914 -2.975 2.585 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.161 -1.600 3.687 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.613 -1.315 2.018 1.00 0.10 H new ATOM 837 N HIS A 144 3.140 -0.945 5.418 1.00 0.09 N ATOM 838 CA HIS A 144 4.426 -1.371 5.927 1.00 0.10 C ATOM 839 C HIS A 144 4.310 -2.789 6.450 1.00 0.10 C ATOM 840 O HIS A 144 3.732 -3.009 7.512 1.00 0.11 O ATOM 841 CB HIS A 144 4.879 -0.458 7.062 1.00 0.12 C ATOM 842 CG HIS A 144 5.803 0.623 6.627 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.672 1.255 7.483 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.009 1.162 5.412 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.377 2.139 6.813 1.00 0.21 C ATOM 846 NE2 HIS A 144 6.989 2.113 5.554 1.00 0.21 N ATOM 0 H HIS A 144 2.460 -0.706 6.140 1.00 0.09 H new ATOM 0 HA HIS A 144 5.157 -1.324 5.120 1.00 0.10 H new ATOM 0 HB2 HIS A 144 4.002 -0.009 7.527 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.372 -1.060 7.826 1.00 0.12 H new ATOM 0 HD2 HIS A 144 5.500 0.897 4.497 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.144 2.778 7.224 1.00 0.21 H new ATOM 0 HE2 HIS A 144 7.356 2.703 4.807 1.00 0.21 H new ATOM 855 N PHE A 145 4.848 -3.744 5.721 1.00 0.10 N ATOM 856 CA PHE A 145 4.789 -5.126 6.153 1.00 0.10 C ATOM 857 C PHE A 145 5.993 -5.486 6.988 1.00 0.13 C ATOM 858 O PHE A 145 7.121 -5.118 6.669 1.00 0.17 O ATOM 859 CB PHE A 145 4.669 -6.081 4.968 1.00 0.10 C ATOM 860 CG PHE A 145 3.261 -6.291 4.505 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.376 -7.033 5.268 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.824 -5.756 3.308 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.078 -7.236 4.845 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.529 -5.958 2.880 1.00 0.10 C ATOM 865 CZ PHE A 145 0.654 -6.698 3.648 1.00 0.10 C ATOM 0 H PHE A 145 5.328 -3.592 4.834 1.00 0.10 H new ATOM 0 HA PHE A 145 3.894 -5.231 6.766 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.261 -5.693 4.139 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.099 -7.044 5.244 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.705 -7.458 6.205 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.503 -5.174 2.702 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.396 -7.815 5.450 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.199 -5.536 1.942 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.360 -6.856 3.313 1.00 0.10 H new ATOM 875 N GLU A 146 5.718 -6.194 8.071 1.00 0.13 N ATOM 876 CA GLU A 146 6.751 -6.658 9.001 1.00 0.17 C ATOM 877 C GLU A 146 7.887 -7.331 8.249 1.00 0.19 C ATOM 878 O GLU A 146 9.063 -7.152 8.567 1.00 0.22 O ATOM 879 CB GLU A 146 6.161 -7.651 10.002 1.00 0.22 C ATOM 880 CG GLU A 146 7.140 -8.087 11.078 1.00 0.30 C ATOM 881 CD GLU A 146 6.558 -9.132 11.997 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.664 -10.332 11.677 1.00 0.57 O ATOM 883 OE2 GLU A 146 5.995 -8.758 13.048 1.00 0.38 O ATOM 0 H GLU A 146 4.772 -6.467 8.336 1.00 0.13 H new ATOM 0 HA GLU A 146 7.136 -5.788 9.533 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.290 -7.200 10.477 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.811 -8.532 9.463 1.00 0.22 H new ATOM 0 HG2 GLU A 146 8.040 -8.482 10.607 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.441 -7.219 11.664 1.00 0.30 H new ATOM 890 N THR A 147 7.514 -8.106 7.255 1.00 0.22 N ATOM 891 CA THR A 147 8.474 -8.816 6.435 1.00 0.26 C ATOM 892 C THR A 147 8.395 -8.350 4.986 1.00 0.23 C ATOM 893 O THR A 147 7.323 -7.994 4.489 1.00 0.21 O ATOM 894 CB THR A 147 8.248 -10.337 6.497 1.00 0.33 C ATOM 895 OG1 THR A 147 6.884 -10.647 6.177 1.00 0.40 O ATOM 896 CG2 THR A 147 8.585 -10.886 7.875 1.00 0.35 C ATOM 0 H THR A 147 6.541 -8.262 6.992 1.00 0.22 H new ATOM 0 HA THR A 147 9.465 -8.595 6.831 1.00 0.26 H new ATOM 0 HB THR A 147 8.909 -10.804 5.767 1.00 0.33 H new ATOM 0 HG1 THR A 147 6.751 -11.617 6.218 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.416 -11.963 7.889 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.631 -10.680 8.103 1.00 0.35 H new ATOM 0 HG23 THR A 147 7.950 -10.409 8.622 1.00 0.35 H new ATOM 904 N GLN A 148 9.536 -8.356 4.314 1.00 0.24 N ATOM 905 CA GLN A 148 9.621 -7.937 2.924 1.00 0.23 C ATOM 906 C GLN A 148 8.790 -8.856 2.020 1.00 0.21 C ATOM 907 O GLN A 148 8.206 -8.404 1.030 1.00 0.21 O ATOM 908 CB GLN A 148 11.092 -7.939 2.489 1.00 0.28 C ATOM 909 CG GLN A 148 11.341 -7.386 1.098 1.00 0.31 C ATOM 910 CD GLN A 148 11.051 -5.903 0.989 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.922 -5.068 1.218 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.826 -5.565 0.638 1.00 0.38 N ATOM 0 H GLN A 148 10.426 -8.650 4.715 1.00 0.24 H new ATOM 0 HA GLN A 148 9.215 -6.930 2.830 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.670 -7.356 3.206 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.468 -8.961 2.532 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.379 -7.569 0.821 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.721 -7.925 0.382 1.00 0.31 H new ATOM 0 HE21 GLN A 148 9.130 -6.288 0.456 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.574 -4.581 0.548 1.00 0.38 H new ATOM 921 N GLU A 149 8.728 -10.140 2.376 1.00 0.22 N ATOM 922 CA GLU A 149 7.997 -11.127 1.581 1.00 0.22 C ATOM 923 C GLU A 149 6.486 -10.888 1.643 1.00 0.18 C ATOM 924 O GLU A 149 5.778 -11.111 0.661 1.00 0.17 O ATOM 925 CB GLU A 149 8.325 -12.557 2.025 1.00 0.28 C ATOM 926 CG GLU A 149 7.667 -12.954 3.329 1.00 0.35 C ATOM 927 CD GLU A 149 7.754 -14.436 3.610 1.00 0.47 C ATOM 928 OE1 GLU A 149 6.904 -15.192 3.092 1.00 0.74 O ATOM 929 OE2 GLU A 149 8.655 -14.856 4.367 1.00 0.62 O ATOM 0 H GLU A 149 9.175 -10.521 3.210 1.00 0.22 H new ATOM 0 HA GLU A 149 8.320 -11.006 0.547 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.013 -13.251 1.245 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.405 -12.658 2.128 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.136 -12.407 4.147 1.00 0.35 H new ATOM 0 HG3 GLU A 149 6.619 -12.656 3.306 1.00 0.35 H new ATOM 936 N ALA A 150 5.996 -10.433 2.796 1.00 0.17 N ATOM 937 CA ALA A 150 4.567 -10.204 2.985 1.00 0.15 C ATOM 938 C ALA A 150 4.077 -9.110 2.048 1.00 0.13 C ATOM 939 O ALA A 150 2.953 -9.157 1.546 1.00 0.13 O ATOM 940 CB ALA A 150 4.276 -9.845 4.431 1.00 0.18 C ATOM 0 H ALA A 150 6.569 -10.216 3.612 1.00 0.17 H new ATOM 0 HA ALA A 150 4.032 -11.123 2.747 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.206 -9.677 4.556 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.593 -10.661 5.080 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.819 -8.938 4.697 1.00 0.18 H new ATOM 946 N ALA A 151 4.941 -8.134 1.810 1.00 0.13 N ATOM 947 CA ALA A 151 4.645 -7.051 0.888 1.00 0.13 C ATOM 948 C ALA A 151 4.439 -7.587 -0.520 1.00 0.12 C ATOM 949 O ALA A 151 3.462 -7.251 -1.186 1.00 0.13 O ATOM 950 CB ALA A 151 5.774 -6.043 0.907 1.00 0.16 C ATOM 0 H ALA A 151 5.860 -8.072 2.248 1.00 0.13 H new ATOM 0 HA ALA A 151 3.723 -6.562 1.204 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.549 -5.232 0.214 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.885 -5.640 1.914 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.702 -6.530 0.606 1.00 0.16 H new ATOM 956 N GLU A 152 5.365 -8.428 -0.959 1.00 0.13 N ATOM 957 CA GLU A 152 5.275 -9.053 -2.268 1.00 0.14 C ATOM 958 C GLU A 152 3.986 -9.867 -2.395 1.00 0.12 C ATOM 959 O GLU A 152 3.355 -9.864 -3.452 1.00 0.15 O ATOM 960 CB GLU A 152 6.502 -9.936 -2.512 1.00 0.18 C ATOM 961 CG GLU A 152 7.811 -9.165 -2.427 1.00 0.26 C ATOM 962 CD GLU A 152 9.026 -10.007 -2.760 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.218 -10.338 -3.945 1.00 0.95 O ATOM 964 OE2 GLU A 152 9.816 -10.311 -1.842 1.00 1.42 O ATOM 0 H GLU A 152 6.191 -8.693 -0.423 1.00 0.13 H new ATOM 0 HA GLU A 152 5.251 -8.271 -3.027 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.514 -10.744 -1.780 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.421 -10.398 -3.496 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.769 -8.315 -3.108 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.922 -8.761 -1.421 1.00 0.26 H new ATOM 971 N ARG A 153 3.592 -10.541 -1.310 1.00 0.10 N ATOM 972 CA ARG A 153 2.335 -11.289 -1.281 1.00 0.12 C ATOM 973 C ARG A 153 1.142 -10.361 -1.480 1.00 0.11 C ATOM 974 O ARG A 153 0.218 -10.673 -2.232 1.00 0.16 O ATOM 975 CB ARG A 153 2.155 -12.036 0.041 1.00 0.16 C ATOM 976 CG ARG A 153 3.219 -13.079 0.322 1.00 0.21 C ATOM 977 CD ARG A 153 2.943 -13.798 1.630 1.00 0.26 C ATOM 978 NE ARG A 153 4.000 -14.743 1.983 1.00 0.38 N ATOM 979 CZ ARG A 153 3.787 -16.033 2.240 1.00 0.80 C ATOM 980 NH1 ARG A 153 2.580 -16.559 2.075 1.00 1.48 N ATOM 981 NH2 ARG A 153 4.789 -16.803 2.639 1.00 0.84 N ATOM 0 H ARG A 153 4.126 -10.583 -0.442 1.00 0.10 H new ATOM 0 HA ARG A 153 2.382 -12.010 -2.097 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.150 -11.312 0.856 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.179 -12.522 0.040 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.251 -13.801 -0.494 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.198 -12.602 0.364 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.835 -13.064 2.429 1.00 0.26 H new ATOM 0 HD3 ARG A 153 1.995 -14.330 1.555 1.00 0.26 H new ATOM 0 HE ARG A 153 4.957 -14.395 2.036 1.00 0.38 H new ATOM 0 HH11 ARG A 153 1.809 -15.975 1.750 1.00 1.48 H new ATOM 0 HH12 ARG A 153 2.423 -17.547 2.273 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.723 -16.408 2.749 1.00 0.84 H new ATOM 0 HH22 ARG A 153 4.626 -17.791 2.836 1.00 0.84 H new ATOM 995 N ALA A 154 1.159 -9.227 -0.791 1.00 0.09 N ATOM 996 CA ALA A 154 0.081 -8.253 -0.902 1.00 0.09 C ATOM 997 C ALA A 154 -0.005 -7.707 -2.319 1.00 0.09 C ATOM 998 O ALA A 154 -1.095 -7.475 -2.839 1.00 0.10 O ATOM 999 CB ALA A 154 0.273 -7.124 0.099 1.00 0.10 C ATOM 0 H ALA A 154 1.906 -8.959 -0.150 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.859 -8.755 -0.673 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.542 -6.407 -0.000 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.277 -7.531 1.110 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.222 -6.623 -0.095 1.00 0.10 H new ATOM 1005 N ILE A 155 1.150 -7.519 -2.946 1.00 0.09 N ATOM 1006 CA ILE A 155 1.208 -7.046 -4.322 1.00 0.10 C ATOM 1007 C ILE A 155 0.511 -8.024 -5.263 1.00 0.11 C ATOM 1008 O ILE A 155 -0.393 -7.642 -5.999 1.00 0.14 O ATOM 1009 CB ILE A 155 2.666 -6.830 -4.786 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.324 -5.734 -3.945 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.716 -6.473 -6.267 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.785 -5.510 -4.266 1.00 0.15 C ATOM 0 H ILE A 155 2.062 -7.688 -2.521 1.00 0.09 H new ATOM 0 HA ILE A 155 0.690 -6.088 -4.354 1.00 0.10 H new ATOM 0 HB ILE A 155 3.217 -7.760 -4.646 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.782 -4.800 -4.094 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.229 -5.993 -2.890 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.752 -6.326 -6.571 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.278 -7.282 -6.851 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.153 -5.555 -6.439 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.180 -4.719 -3.629 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.342 -6.430 -4.089 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.887 -5.219 -5.312 1.00 0.15 H new ATOM 1024 N GLU A 156 0.910 -9.289 -5.211 1.00 0.11 N ATOM 1025 CA GLU A 156 0.334 -10.299 -6.092 1.00 0.13 C ATOM 1026 C GLU A 156 -1.144 -10.513 -5.821 1.00 0.12 C ATOM 1027 O GLU A 156 -1.944 -10.648 -6.746 1.00 0.15 O ATOM 1028 CB GLU A 156 1.064 -11.650 -5.997 1.00 0.17 C ATOM 1029 CG GLU A 156 1.633 -11.995 -4.630 1.00 0.21 C ATOM 1030 CD GLU A 156 2.192 -13.398 -4.576 1.00 0.62 C ATOM 1031 OE1 GLU A 156 1.407 -14.346 -4.393 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.420 -13.564 -4.718 1.00 0.63 O ATOM 0 H GLU A 156 1.625 -9.639 -4.573 1.00 0.11 H new ATOM 0 HA GLU A 156 0.459 -9.908 -7.102 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.371 -12.438 -6.292 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.879 -11.654 -6.721 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.419 -11.284 -4.377 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.852 -11.889 -3.877 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.502 -10.545 -4.557 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.841 -10.920 -4.166 1.00 0.10 C ATOM 1041 C LYS A 157 -3.841 -9.768 -4.287 1.00 0.08 C ATOM 1042 O LYS A 157 -4.970 -9.968 -4.732 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.826 -11.444 -2.731 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.606 -12.737 -2.562 1.00 0.17 C ATOM 1045 CD LYS A 157 -5.044 -12.607 -3.047 1.00 0.21 C ATOM 1046 CE LYS A 157 -5.991 -12.099 -1.965 1.00 0.29 C ATOM 1047 NZ LYS A 157 -6.051 -13.013 -0.795 1.00 1.16 N ATOM 0 H LYS A 157 -0.882 -10.315 -3.780 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.171 -11.700 -4.853 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.794 -11.606 -2.420 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.243 -10.685 -2.069 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.109 -13.535 -3.114 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.603 -13.027 -1.511 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.075 -11.927 -3.898 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.392 -13.577 -3.401 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.667 -11.112 -1.636 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -6.990 -11.983 -2.385 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.035 -13.309 -0.636 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.463 -13.851 -0.979 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.697 -12.520 0.049 1.00 1.16 H new ATOM 1061 N MET A 158 -3.428 -8.567 -3.922 1.00 0.07 N ATOM 1062 CA MET A 158 -4.366 -7.450 -3.842 1.00 0.08 C ATOM 1063 C MET A 158 -4.423 -6.644 -5.125 1.00 0.09 C ATOM 1064 O MET A 158 -5.415 -5.958 -5.380 1.00 0.13 O ATOM 1065 CB MET A 158 -4.033 -6.530 -2.671 1.00 0.09 C ATOM 1066 CG MET A 158 -4.263 -7.173 -1.320 1.00 0.10 C ATOM 1067 SD MET A 158 -5.951 -7.780 -1.128 1.00 0.35 S ATOM 1068 CE MET A 158 -6.876 -6.266 -1.359 1.00 0.18 C ATOM 0 H MET A 158 -2.465 -8.337 -3.679 1.00 0.07 H new ATOM 0 HA MET A 158 -5.349 -7.892 -3.682 1.00 0.08 H new ATOM 0 HB2 MET A 158 -2.990 -6.221 -2.746 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.639 -5.627 -2.744 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.565 -8.000 -1.190 1.00 0.10 H new ATOM 0 HG3 MET A 158 -4.048 -6.449 -0.534 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.930 -6.448 -1.148 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.497 -5.501 -0.682 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.766 -5.926 -2.389 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.377 -6.708 -5.933 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.380 -5.974 -7.188 1.00 0.10 C ATOM 1080 C ASN A 159 -4.433 -6.574 -8.112 1.00 0.13 C ATOM 1081 O ASN A 159 -4.400 -7.769 -8.408 1.00 0.16 O ATOM 1082 CB ASN A 159 -2.002 -6.030 -7.853 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.862 -5.095 -9.044 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.828 -4.787 -9.740 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.649 -4.627 -9.280 1.00 0.38 N ATOM 0 H ASN A 159 -2.532 -7.248 -5.749 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.616 -4.929 -6.990 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.241 -5.780 -7.114 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.806 -7.052 -8.179 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.491 -3.989 -10.060 1.00 0.38 H new ATOM 0 HD22 ASN A 159 0.130 -4.904 -8.682 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.362 -5.747 -8.561 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.410 -6.223 -9.436 1.00 0.19 C ATOM 1094 C GLY A 160 -7.603 -6.769 -8.672 1.00 0.22 C ATOM 1095 O GLY A 160 -8.461 -7.438 -9.244 1.00 0.29 O ATOM 0 H GLY A 160 -5.409 -4.753 -8.335 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.738 -5.408 -10.081 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -6.011 -7.002 -10.085 1.00 0.19 H new ATOM 1099 N MET A 161 -7.655 -6.498 -7.374 1.00 0.22 N ATOM 1100 CA MET A 161 -8.783 -6.917 -6.553 1.00 0.27 C ATOM 1101 C MET A 161 -9.732 -5.764 -6.295 1.00 0.24 C ATOM 1102 O MET A 161 -9.374 -4.607 -6.486 1.00 0.23 O ATOM 1103 CB MET A 161 -8.295 -7.474 -5.222 1.00 0.32 C ATOM 1104 CG MET A 161 -8.013 -8.972 -5.211 1.00 0.68 C ATOM 1105 SD MET A 161 -9.488 -9.991 -4.954 1.00 1.18 S ATOM 1106 CE MET A 161 -10.173 -10.108 -6.608 1.00 1.04 C ATOM 0 H MET A 161 -6.930 -5.990 -6.868 1.00 0.22 H new ATOM 0 HA MET A 161 -9.316 -7.694 -7.100 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.384 -6.947 -4.937 1.00 0.32 H new ATOM 0 HB3 MET A 161 -9.042 -7.255 -4.459 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.550 -9.252 -6.157 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.290 -9.191 -4.425 1.00 0.68 H new ATOM 0 HE1 MET A 161 -10.640 -11.084 -6.740 1.00 1.04 H new ATOM 0 HE2 MET A 161 -10.920 -9.327 -6.749 1.00 1.04 H new ATOM 0 HE3 MET A 161 -9.376 -9.984 -7.341 1.00 1.04 H new ATOM 1116 N LEU A 162 -10.927 -6.089 -5.828 1.00 0.26 N ATOM 1117 CA LEU A 162 -11.925 -5.087 -5.523 1.00 0.26 C ATOM 1118 C LEU A 162 -11.936 -4.845 -4.041 1.00 0.28 C ATOM 1119 O LEU A 162 -11.979 -5.790 -3.252 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.336 -5.517 -5.934 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.688 -5.407 -7.415 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -15.154 -5.736 -7.610 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.410 -4.012 -7.928 1.00 0.34 C ATOM 0 H LEU A 162 -11.227 -7.048 -5.652 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.661 -4.190 -6.084 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.477 -6.554 -5.628 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.051 -4.918 -5.370 1.00 0.31 H new ATOM 0 HG LEU A 162 -13.072 -6.112 -7.974 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.407 -5.658 -8.667 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.348 -6.751 -7.265 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.763 -5.036 -7.039 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.668 -3.955 -8.986 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -14.009 -3.293 -7.369 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.353 -3.781 -7.799 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.881 -3.602 -3.656 1.00 0.25 N ATOM 1136 CA LEU A 163 -12.073 -3.269 -2.278 1.00 0.33 C ATOM 1137 C LEU A 163 -13.320 -2.415 -2.125 1.00 0.45 C ATOM 1138 O LEU A 163 -13.315 -1.231 -2.462 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.844 -2.570 -1.699 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.709 -3.507 -1.284 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.530 -2.716 -0.746 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.203 -4.501 -0.242 1.00 0.34 C ATOM 0 H LEU A 163 -11.706 -2.809 -4.273 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.211 -4.190 -1.712 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.463 -1.865 -2.438 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.151 -1.987 -0.831 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.376 -4.058 -2.164 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.734 -3.402 -0.456 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.163 -2.039 -1.518 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.845 -2.139 0.123 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.386 -5.163 0.046 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.559 -3.961 0.636 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -11.018 -5.092 -0.660 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.403 -3.062 -1.693 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.693 -2.409 -1.435 1.00 0.42 C ATOM 1156 C ASN A 164 -16.477 -2.137 -2.709 1.00 0.45 C ATOM 1157 O ASN A 164 -17.706 -2.076 -2.680 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.515 -1.117 -0.635 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.436 -1.358 0.858 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -16.092 -2.251 1.394 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.614 -0.577 1.534 1.00 1.07 N ATOM 0 H ASN A 164 -14.412 -4.065 -1.509 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.275 -3.112 -0.839 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.607 -0.612 -0.966 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.348 -0.446 -0.847 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.504 -0.702 2.540 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.089 0.151 1.050 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.758 -2.031 -3.812 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.337 -1.679 -5.117 1.00 0.44 C ATOM 1170 C ASP A 165 -15.256 -1.300 -6.122 1.00 0.43 C ATOM 1171 O ASP A 165 -15.460 -1.386 -7.332 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.312 -0.500 -4.987 1.00 0.55 C ATOM 1173 CG ASP A 165 -18.059 -0.207 -6.273 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -19.077 -0.879 -6.549 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.618 0.687 -7.024 1.00 0.85 O ATOM 0 H ASP A 165 -14.750 -2.185 -3.839 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.869 -2.562 -5.472 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.031 -0.715 -4.196 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -16.760 0.389 -4.683 1.00 0.55 H new ATOM 1180 N ARG A 166 -14.102 -0.896 -5.622 1.00 0.32 N ATOM 1181 CA ARG A 166 -13.064 -0.325 -6.466 1.00 0.27 C ATOM 1182 C ARG A 166 -11.877 -1.263 -6.572 1.00 0.24 C ATOM 1183 O ARG A 166 -11.399 -1.785 -5.567 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.607 1.024 -5.910 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.710 2.059 -5.821 1.00 0.27 C ATOM 1186 CD ARG A 166 -13.156 3.420 -5.447 1.00 0.27 C ATOM 1187 NE ARG A 166 -14.216 4.362 -5.102 1.00 0.42 N ATOM 1188 CZ ARG A 166 -14.236 5.638 -5.479 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -13.262 6.136 -6.235 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -15.234 6.423 -5.105 1.00 0.70 N ATOM 0 H ARG A 166 -13.858 -0.952 -4.633 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.483 -0.178 -7.461 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -12.185 0.872 -4.917 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.807 1.413 -6.540 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -14.229 2.125 -6.778 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.446 1.747 -5.080 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.474 3.315 -4.603 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.574 3.817 -6.279 1.00 0.27 H new ATOM 0 HE ARG A 166 -14.992 4.020 -4.535 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -12.490 5.539 -6.531 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -13.287 7.115 -6.519 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -15.988 6.050 -4.528 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -15.249 7.401 -5.394 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.418 -1.482 -7.792 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.275 -2.342 -8.037 1.00 0.20 C ATOM 1206 C LYS A 167 -8.996 -1.590 -7.704 1.00 0.17 C ATOM 1207 O LYS A 167 -8.747 -0.518 -8.245 1.00 0.22 O ATOM 1208 CB LYS A 167 -10.267 -2.803 -9.496 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.415 -4.036 -9.746 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.774 -4.710 -11.062 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.737 -5.873 -10.852 1.00 0.53 C ATOM 1212 NZ LYS A 167 -11.183 -6.465 -12.139 1.00 1.00 N ATOM 0 H LYS A 167 -11.823 -1.072 -8.634 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.341 -3.225 -7.401 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -11.291 -3.011 -9.807 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.903 -1.989 -10.122 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.362 -3.755 -9.756 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -9.548 -4.743 -8.927 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -10.225 -3.980 -11.734 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -8.867 -5.071 -11.546 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -10.252 -6.641 -10.248 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -11.606 -5.528 -10.291 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -11.836 -7.252 -11.951 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.668 -5.740 -12.705 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -10.357 -6.818 -12.663 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.186 -2.151 -6.825 1.00 0.13 N ATOM 1227 CA VAL A 168 -7.001 -1.457 -6.352 1.00 0.12 C ATOM 1228 C VAL A 168 -5.741 -1.993 -7.008 1.00 0.11 C ATOM 1229 O VAL A 168 -5.666 -3.163 -7.393 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.846 -1.543 -4.819 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.941 -0.751 -4.124 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.853 -2.989 -4.345 1.00 0.13 C ATOM 0 H VAL A 168 -8.325 -3.079 -6.426 1.00 0.13 H new ATOM 0 HA VAL A 168 -7.136 -0.412 -6.630 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.882 -1.107 -4.557 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.814 -0.825 -3.044 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.881 0.295 -4.426 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.915 -1.154 -4.403 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.742 -3.017 -3.261 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.795 -3.459 -4.626 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.026 -3.528 -4.808 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.766 -1.115 -7.159 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.481 -1.475 -7.716 1.00 0.12 C ATOM 1244 C PHE A 169 -2.445 -1.494 -6.603 1.00 0.10 C ATOM 1245 O PHE A 169 -2.238 -0.487 -5.936 1.00 0.12 O ATOM 1246 CB PHE A 169 -3.097 -0.462 -8.803 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.714 -0.640 -9.365 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -0.620 -0.051 -8.754 1.00 0.18 C ATOM 1249 CD2 PHE A 169 -1.511 -1.408 -10.499 1.00 0.25 C ATOM 1250 CE1 PHE A 169 0.651 -0.222 -9.269 1.00 0.23 C ATOM 1251 CE2 PHE A 169 -0.246 -1.580 -11.020 1.00 0.30 C ATOM 1252 CZ PHE A 169 0.844 -0.950 -10.397 1.00 0.26 C ATOM 0 H PHE A 169 -4.846 -0.132 -6.898 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.528 -2.466 -8.168 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.818 -0.533 -9.618 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.180 0.543 -8.390 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -0.761 0.548 -7.866 1.00 0.18 H new ATOM 0 HD2 PHE A 169 -2.355 -1.879 -10.982 1.00 0.25 H new ATOM 0 HE1 PHE A 169 1.497 0.227 -8.770 1.00 0.23 H new ATOM 0 HE2 PHE A 169 -0.095 -2.192 -11.897 1.00 0.30 H new ATOM 0 HZ PHE A 169 1.835 -1.045 -10.816 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.810 -2.634 -6.394 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.770 -2.739 -5.384 1.00 0.10 C ATOM 1264 C VAL A 170 0.558 -3.038 -6.057 1.00 0.11 C ATOM 1265 O VAL A 170 0.668 -3.988 -6.834 1.00 0.13 O ATOM 1266 CB VAL A 170 -1.067 -3.844 -4.339 1.00 0.10 C ATOM 1267 CG1 VAL A 170 -0.017 -3.845 -3.240 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.455 -3.681 -3.740 1.00 0.09 C ATOM 0 H VAL A 170 -1.994 -3.496 -6.907 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.733 -1.786 -4.856 1.00 0.10 H new ATOM 0 HB VAL A 170 -1.031 -4.803 -4.857 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.246 -4.629 -2.518 1.00 0.11 H new ATOM 0 HG12 VAL A 170 0.965 -4.029 -3.675 1.00 0.11 H new ATOM 0 HG13 VAL A 170 -0.016 -2.878 -2.737 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.632 -4.472 -3.011 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.527 -2.711 -3.248 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.202 -3.743 -4.531 1.00 0.09 H new ATOM 1278 N GLY A 171 1.552 -2.216 -5.780 1.00 0.12 N ATOM 1279 CA GLY A 171 2.848 -2.399 -6.390 1.00 0.14 C ATOM 1280 C GLY A 171 3.975 -2.024 -5.459 1.00 0.14 C ATOM 1281 O GLY A 171 3.741 -1.718 -4.285 1.00 0.18 O ATOM 0 H GLY A 171 1.485 -1.423 -5.142 1.00 0.12 H new ATOM 0 HA2 GLY A 171 2.961 -3.440 -6.694 1.00 0.14 H new ATOM 0 HA3 GLY A 171 2.910 -1.795 -7.295 1.00 0.14 H new ATOM 1285 N ARG A 172 5.191 -2.040 -5.982 1.00 0.18 N ATOM 1286 CA ARG A 172 6.367 -1.698 -5.198 1.00 0.19 C ATOM 1287 C ARG A 172 6.307 -0.233 -4.789 1.00 0.22 C ATOM 1288 O ARG A 172 5.822 0.615 -5.542 1.00 0.36 O ATOM 1289 CB ARG A 172 7.647 -1.983 -5.993 1.00 0.23 C ATOM 1290 CG ARG A 172 7.802 -3.440 -6.415 1.00 0.32 C ATOM 1291 CD ARG A 172 8.179 -4.349 -5.251 1.00 0.39 C ATOM 1292 NE ARG A 172 8.223 -5.754 -5.653 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.865 -6.701 -4.978 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.553 -6.389 -3.891 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.823 -7.957 -5.403 1.00 1.93 N ATOM 0 H ARG A 172 5.390 -2.288 -6.951 1.00 0.18 H new ATOM 0 HA ARG A 172 6.382 -2.315 -4.299 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.657 -1.354 -6.883 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.509 -1.696 -5.390 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.868 -3.788 -6.856 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.566 -3.511 -7.189 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.152 -4.052 -4.858 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.458 -4.224 -4.444 1.00 0.39 H new ATOM 0 HE ARG A 172 7.730 -6.024 -6.504 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.590 -5.421 -3.571 1.00 1.34 H new ATOM 0 HH12 ARG A 172 10.046 -7.117 -3.373 1.00 1.34 H new ATOM 0 HH21 ARG A 172 8.299 -8.193 -6.246 1.00 1.93 H new ATOM 0 HH22 ARG A 172 9.315 -8.687 -4.887 1.00 1.93 H new