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= -5.52! K(o=-7.9!,f=-4.6) USER MOD Set 1.2: A 144 HIS : no HD1:sc= -2.42 K(o=-7.9,f=-10!) USER MOD Set 2.1: A 116 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 120 SER OG : rot 141:sc= 0.0815 USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.179 (180deg=-0.662) USER MOD Single : A 105 ASN : amide:sc= 0.931 K(o=0.93,f=-1.4!) USER MOD Single : A 108 LYS NZ :NH3+ 165:sc= -0.0271 (180deg=-0.257) USER MOD Single : A 109 SER OG : rot 95:sc= 0.584 USER MOD Single : A 112 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.3!) USER MOD Single : A 113 LYS NZ :NH3+ -137:sc= -0.342 (180deg=-1.14!) USER MOD Single : A 118 THR OG1 : rot 76:sc= 0.969 USER MOD Single : A 124 ASN : amide:sc= 1.24 K(o=1.2,f=-0.96) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 CYS SG : rot 40:sc= -4.55! USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 GLN : amide:sc= -0.723 K(o=-0.72,f=-1.9!) USER MOD Single : A 157 LYS NZ :NH3+ -121:sc= -0.118 (180deg=-0.819) USER MOD Single : A 158 MET CE :methyl -174:sc= -0.555 (180deg=-0.714) USER MOD Single : A 159 ASN : amide:sc= -1.29 K(o=-1.3,f=-4.1!) USER MOD Single : A 161 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= -0.0587 K(o=-0.059,f=-1.7!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N VAL A 98 11.103 -1.375 4.390 1.00 0.29 N ATOM 141 CA VAL A 98 10.881 -2.831 4.322 1.00 0.33 C ATOM 142 C VAL A 98 9.404 -3.199 4.231 1.00 0.25 C ATOM 143 O VAL A 98 8.589 -2.788 5.056 1.00 0.27 O ATOM 144 CB VAL A 98 11.494 -3.594 5.509 1.00 0.49 C ATOM 145 CG1 VAL A 98 11.010 -5.036 5.520 1.00 0.47 C ATOM 146 CG2 VAL A 98 12.999 -3.570 5.442 1.00 0.71 C ATOM 0 HA VAL A 98 11.388 -3.133 3.406 1.00 0.33 H new ATOM 0 HB VAL A 98 11.174 -3.099 6.426 1.00 0.49 H new ATOM 0 HG11 VAL A 98 11.453 -5.562 6.366 1.00 0.47 H new ATOM 0 HG12 VAL A 98 9.924 -5.055 5.610 1.00 0.47 H new ATOM 0 HG13 VAL A 98 11.306 -5.526 4.593 1.00 0.47 H new ATOM 0 HG21 VAL A 98 13.410 -4.116 6.291 1.00 0.71 H new ATOM 0 HG22 VAL A 98 13.329 -4.039 4.515 1.00 0.71 H new ATOM 0 HG23 VAL A 98 13.348 -2.538 5.471 1.00 0.71 H new ATOM 156 N GLY A 99 9.063 -3.988 3.228 1.00 0.21 N ATOM 157 CA GLY A 99 7.703 -4.450 3.115 1.00 0.20 C ATOM 158 C GLY A 99 6.777 -3.339 2.678 1.00 0.15 C ATOM 159 O GLY A 99 5.587 -3.353 2.979 1.00 0.18 O ATOM 0 H GLY A 99 9.697 -4.313 2.498 1.00 0.21 H new ATOM 0 HA2 GLY A 99 7.654 -5.269 2.398 1.00 0.20 H new ATOM 0 HA3 GLY A 99 7.371 -4.846 4.075 1.00 0.20 H new ATOM 163 N ASN A 100 7.342 -2.358 1.994 1.00 0.13 N ATOM 164 CA ASN A 100 6.611 -1.150 1.645 1.00 0.14 C ATOM 165 C ASN A 100 5.898 -1.351 0.315 1.00 0.14 C ATOM 166 O ASN A 100 6.531 -1.684 -0.692 1.00 0.19 O ATOM 167 CB ASN A 100 7.609 0.008 1.540 1.00 0.21 C ATOM 168 CG ASN A 100 8.116 0.463 2.892 1.00 0.28 C ATOM 169 OD1 ASN A 100 8.554 1.601 3.051 1.00 0.63 O ATOM 170 ND2 ASN A 100 8.031 -0.409 3.892 1.00 0.20 N ATOM 0 H ASN A 100 8.308 -2.374 1.668 1.00 0.13 H new ATOM 0 HA ASN A 100 5.866 -0.925 2.408 1.00 0.14 H new ATOM 0 HB2 ASN A 100 8.454 -0.300 0.924 1.00 0.21 H new ATOM 0 HB3 ASN A 100 7.134 0.848 1.033 1.00 0.21 H new ATOM 0 HD21 ASN A 100 8.335 -0.142 4.829 1.00 0.20 H new ATOM 0 HD22 ASN A 100 7.662 -1.345 3.723 1.00 0.20 H new ATOM 177 N ILE A 101 4.592 -1.151 0.312 1.00 0.12 N ATOM 178 CA ILE A 101 3.804 -1.242 -0.907 1.00 0.13 C ATOM 179 C ILE A 101 2.841 -0.072 -0.984 1.00 0.12 C ATOM 180 O ILE A 101 2.428 0.468 0.047 1.00 0.15 O ATOM 181 CB ILE A 101 3.010 -2.562 -1.005 1.00 0.13 C ATOM 182 CG1 ILE A 101 2.005 -2.671 0.139 1.00 0.11 C ATOM 183 CG2 ILE A 101 3.953 -3.756 -1.009 1.00 0.15 C ATOM 184 CD1 ILE A 101 1.160 -3.923 0.086 1.00 0.13 C ATOM 0 H ILE A 101 4.051 -0.923 1.146 1.00 0.12 H new ATOM 0 HA ILE A 101 4.504 -1.217 -1.742 1.00 0.13 H new ATOM 0 HB ILE A 101 2.458 -2.561 -1.945 1.00 0.13 H new ATOM 0 HG12 ILE A 101 2.542 -2.645 1.087 1.00 0.11 H new ATOM 0 HG13 ILE A 101 1.350 -1.800 0.120 1.00 0.11 H new ATOM 0 HG21 ILE A 101 3.374 -4.677 -1.079 1.00 0.15 H new ATOM 0 HG22 ILE A 101 4.626 -3.685 -1.863 1.00 0.15 H new ATOM 0 HG23 ILE A 101 4.536 -3.763 -0.088 1.00 0.15 H new ATOM 0 HD11 ILE A 101 0.470 -3.932 0.929 1.00 0.13 H new ATOM 0 HD12 ILE A 101 0.595 -3.941 -0.846 1.00 0.13 H new ATOM 0 HD13 ILE A 101 1.805 -4.800 0.136 1.00 0.13 H new ATOM 196 N PHE A 102 2.490 0.326 -2.190 1.00 0.11 N ATOM 197 CA PHE A 102 1.554 1.414 -2.370 1.00 0.11 C ATOM 198 C PHE A 102 0.336 0.917 -3.133 1.00 0.09 C ATOM 199 O PHE A 102 0.452 0.091 -4.042 1.00 0.11 O ATOM 200 CB PHE A 102 2.237 2.605 -3.065 1.00 0.16 C ATOM 201 CG PHE A 102 1.773 2.891 -4.463 1.00 0.13 C ATOM 202 CD1 PHE A 102 0.667 3.696 -4.682 1.00 0.14 C ATOM 203 CD2 PHE A 102 2.447 2.370 -5.554 1.00 0.17 C ATOM 204 CE1 PHE A 102 0.238 3.974 -5.962 1.00 0.17 C ATOM 205 CE2 PHE A 102 2.027 2.647 -6.839 1.00 0.21 C ATOM 206 CZ PHE A 102 0.921 3.449 -7.044 1.00 0.20 C ATOM 0 H PHE A 102 2.838 -0.086 -3.056 1.00 0.11 H new ATOM 0 HA PHE A 102 1.214 1.772 -1.398 1.00 0.11 H new ATOM 0 HB2 PHE A 102 2.078 3.497 -2.459 1.00 0.16 H new ATOM 0 HB3 PHE A 102 3.311 2.422 -3.088 1.00 0.16 H new ATOM 0 HD1 PHE A 102 0.134 4.111 -3.839 1.00 0.14 H new ATOM 0 HD2 PHE A 102 3.310 1.740 -5.398 1.00 0.17 H new ATOM 0 HE1 PHE A 102 -0.628 4.599 -6.119 1.00 0.17 H new ATOM 0 HE2 PHE A 102 2.562 2.237 -7.683 1.00 0.21 H new ATOM 0 HZ PHE A 102 0.590 3.666 -8.049 1.00 0.20 H new ATOM 216 N ILE A 103 -0.826 1.401 -2.733 1.00 0.08 N ATOM 217 CA ILE A 103 -2.087 0.961 -3.305 1.00 0.08 C ATOM 218 C ILE A 103 -2.807 2.136 -3.946 1.00 0.08 C ATOM 219 O ILE A 103 -2.973 3.178 -3.320 1.00 0.15 O ATOM 220 CB ILE A 103 -2.995 0.362 -2.216 1.00 0.08 C ATOM 221 CG1 ILE A 103 -2.245 -0.699 -1.416 1.00 0.08 C ATOM 222 CG2 ILE A 103 -4.246 -0.238 -2.837 1.00 0.10 C ATOM 223 CD1 ILE A 103 -2.563 -0.660 0.058 1.00 0.09 C ATOM 0 H ILE A 103 -0.923 2.108 -2.004 1.00 0.08 H new ATOM 0 HA ILE A 103 -1.871 0.202 -4.056 1.00 0.08 H new ATOM 0 HB ILE A 103 -3.291 1.164 -1.539 1.00 0.08 H new ATOM 0 HG12 ILE A 103 -2.492 -1.685 -1.809 1.00 0.08 H new ATOM 0 HG13 ILE A 103 -1.173 -0.560 -1.555 1.00 0.08 H new ATOM 0 HG21 ILE A 103 -4.876 -0.657 -2.053 1.00 0.10 H new ATOM 0 HG22 ILE A 103 -4.796 0.538 -3.369 1.00 0.10 H new ATOM 0 HG23 ILE A 103 -3.964 -1.026 -3.535 1.00 0.10 H new ATOM 0 HD11 ILE A 103 -1.999 -1.438 0.573 1.00 0.09 H new ATOM 0 HD12 ILE A 103 -2.290 0.314 0.463 1.00 0.09 H new ATOM 0 HD13 ILE A 103 -3.630 -0.828 0.205 1.00 0.09 H new ATOM 235 N LYS A 104 -3.234 1.966 -5.186 1.00 0.13 N ATOM 236 CA LYS A 104 -3.935 3.024 -5.898 1.00 0.13 C ATOM 237 C LYS A 104 -5.389 2.637 -6.138 1.00 0.12 C ATOM 238 O LYS A 104 -5.711 1.451 -6.224 1.00 0.14 O ATOM 239 CB LYS A 104 -3.254 3.301 -7.242 1.00 0.19 C ATOM 240 CG LYS A 104 -3.250 4.774 -7.628 1.00 0.28 C ATOM 241 CD LYS A 104 -2.530 5.022 -8.945 1.00 0.39 C ATOM 242 CE LYS A 104 -3.449 4.829 -10.142 1.00 0.66 C ATOM 243 NZ LYS A 104 -4.580 5.795 -10.136 1.00 1.46 N ATOM 0 H LYS A 104 -3.108 1.107 -5.721 1.00 0.13 H new ATOM 0 HA LYS A 104 -3.903 3.924 -5.284 1.00 0.13 H new ATOM 0 HB2 LYS A 104 -2.226 2.942 -7.200 1.00 0.19 H new ATOM 0 HB3 LYS A 104 -3.760 2.731 -8.021 1.00 0.19 H new ATOM 0 HG2 LYS A 104 -4.277 5.130 -7.705 1.00 0.28 H new ATOM 0 HG3 LYS A 104 -2.770 5.353 -6.839 1.00 0.28 H new ATOM 0 HD2 LYS A 104 -2.131 6.036 -8.954 1.00 0.39 H new ATOM 0 HD3 LYS A 104 -1.680 4.344 -9.027 1.00 0.39 H new ATOM 0 HE2 LYS A 104 -2.876 4.947 -11.062 1.00 0.66 H new ATOM 0 HE3 LYS A 104 -3.841 3.812 -10.138 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 -4.922 5.935 -11.108 1.00 1.46 H new ATOM 0 HZ2 LYS A 104 -5.352 5.422 -9.547 1.00 1.46 H new ATOM 0 HZ3 LYS A 104 -4.258 6.705 -9.748 1.00 1.46 H new ATOM 257 N ASN A 105 -6.251 3.651 -6.221 1.00 0.12 N ATOM 258 CA ASN A 105 -7.657 3.485 -6.599 1.00 0.13 C ATOM 259 C ASN A 105 -8.473 2.853 -5.471 1.00 0.15 C ATOM 260 O ASN A 105 -9.396 2.078 -5.713 1.00 0.25 O ATOM 261 CB ASN A 105 -7.791 2.649 -7.877 1.00 0.16 C ATOM 262 CG ASN A 105 -9.125 2.877 -8.567 1.00 0.23 C ATOM 263 OD1 ASN A 105 -9.691 3.970 -8.508 1.00 0.49 O ATOM 264 ND2 ASN A 105 -9.643 1.849 -9.216 1.00 0.34 N ATOM 0 H ASN A 105 -5.992 4.618 -6.027 1.00 0.12 H new ATOM 0 HA ASN A 105 -8.056 4.481 -6.790 1.00 0.13 H new ATOM 0 HB2 ASN A 105 -6.981 2.900 -8.562 1.00 0.16 H new ATOM 0 HB3 ASN A 105 -7.685 1.592 -7.632 1.00 0.16 H new ATOM 0 HD21 ASN A 105 -10.541 1.945 -9.690 1.00 0.34 H new ATOM 0 HD22 ASN A 105 -9.145 0.959 -9.243 1.00 0.34 H new ATOM 271 N LEU A 106 -8.151 3.215 -4.240 1.00 0.14 N ATOM 272 CA LEU A 106 -8.896 2.730 -3.086 1.00 0.17 C ATOM 273 C LEU A 106 -10.228 3.446 -2.950 1.00 0.22 C ATOM 274 O LEU A 106 -10.397 4.573 -3.423 1.00 0.26 O ATOM 275 CB LEU A 106 -8.089 2.912 -1.801 1.00 0.16 C ATOM 276 CG LEU A 106 -7.038 1.835 -1.545 1.00 0.14 C ATOM 277 CD1 LEU A 106 -5.995 2.330 -0.568 1.00 0.15 C ATOM 278 CD2 LEU A 106 -7.700 0.581 -1.003 1.00 0.16 C ATOM 0 H LEU A 106 -7.380 3.842 -4.012 1.00 0.14 H new ATOM 0 HA LEU A 106 -9.083 1.668 -3.245 1.00 0.17 H new ATOM 0 HB2 LEU A 106 -7.593 3.882 -1.835 1.00 0.16 H new ATOM 0 HB3 LEU A 106 -8.778 2.935 -0.957 1.00 0.16 H new ATOM 0 HG LEU A 106 -6.546 1.601 -2.489 1.00 0.14 H new ATOM 0 HD11 LEU A 106 -5.255 1.548 -0.399 1.00 0.15 H new ATOM 0 HD12 LEU A 106 -5.503 3.213 -0.977 1.00 0.15 H new ATOM 0 HD13 LEU A 106 -6.474 2.587 0.377 1.00 0.15 H new ATOM 0 HD21 LEU A 106 -6.942 -0.182 -0.823 1.00 0.16 H new ATOM 0 HD22 LEU A 106 -8.209 0.814 -0.068 1.00 0.16 H new ATOM 0 HD23 LEU A 106 -8.424 0.209 -1.728 1.00 0.16 H new ATOM 290 N ASP A 107 -11.174 2.772 -2.317 1.00 0.27 N ATOM 291 CA ASP A 107 -12.456 3.374 -1.998 1.00 0.32 C ATOM 292 C ASP A 107 -12.307 4.270 -0.779 1.00 0.30 C ATOM 293 O ASP A 107 -11.470 4.016 0.085 1.00 0.26 O ATOM 294 CB ASP A 107 -13.505 2.287 -1.751 1.00 0.37 C ATOM 295 CG ASP A 107 -14.820 2.845 -1.245 1.00 0.50 C ATOM 296 OD1 ASP A 107 -15.326 3.820 -1.834 1.00 0.62 O ATOM 297 OD2 ASP A 107 -15.351 2.309 -0.255 1.00 0.71 O ATOM 0 H ASP A 107 -11.076 1.803 -2.013 1.00 0.27 H new ATOM 0 HA ASP A 107 -12.791 3.980 -2.840 1.00 0.32 H new ATOM 0 HB2 ASP A 107 -13.680 1.740 -2.677 1.00 0.37 H new ATOM 0 HB3 ASP A 107 -13.116 1.571 -1.027 1.00 0.37 H new ATOM 302 N LYS A 108 -13.116 5.312 -0.710 1.00 0.38 N ATOM 303 CA LYS A 108 -12.998 6.301 0.353 1.00 0.43 C ATOM 304 C LYS A 108 -13.397 5.702 1.701 1.00 0.36 C ATOM 305 O LYS A 108 -12.934 6.145 2.752 1.00 0.46 O ATOM 306 CB LYS A 108 -13.858 7.523 0.035 1.00 0.55 C ATOM 307 CG LYS A 108 -15.348 7.301 0.227 1.00 0.57 C ATOM 308 CD LYS A 108 -16.146 8.457 -0.331 1.00 0.90 C ATOM 309 CE LYS A 108 -17.634 8.327 -0.028 1.00 1.21 C ATOM 310 NZ LYS A 108 -17.914 8.376 1.432 1.00 2.20 N ATOM 0 H LYS A 108 -13.864 5.498 -1.378 1.00 0.38 H new ATOM 0 HA LYS A 108 -11.956 6.613 0.417 1.00 0.43 H new ATOM 0 HB2 LYS A 108 -13.541 8.352 0.668 1.00 0.55 H new ATOM 0 HB3 LYS A 108 -13.676 7.823 -0.997 1.00 0.55 H new ATOM 0 HG2 LYS A 108 -15.648 6.376 -0.266 1.00 0.57 H new ATOM 0 HG3 LYS A 108 -15.567 7.182 1.288 1.00 0.57 H new ATOM 0 HD2 LYS A 108 -15.772 9.391 0.088 1.00 0.90 H new ATOM 0 HD3 LYS A 108 -16.000 8.510 -1.410 1.00 0.90 H new ATOM 0 HE2 LYS A 108 -18.177 9.129 -0.528 1.00 1.21 H new ATOM 0 HE3 LYS A 108 -18.006 7.388 -0.437 1.00 1.21 H new ATOM 0 HZ1 LYS A 108 -18.929 8.540 1.585 1.00 2.20 H new ATOM 0 HZ2 LYS A 108 -17.639 7.473 1.869 1.00 2.20 H new ATOM 0 HZ3 LYS A 108 -17.369 9.150 1.864 1.00 2.20 H new ATOM 324 N SER A 109 -14.255 4.689 1.658 1.00 0.31 N ATOM 325 CA SER A 109 -14.691 3.997 2.868 1.00 0.40 C ATOM 326 C SER A 109 -13.575 3.117 3.438 1.00 0.34 C ATOM 327 O SER A 109 -13.707 2.562 4.532 1.00 0.43 O ATOM 328 CB SER A 109 -15.921 3.141 2.569 1.00 0.56 C ATOM 329 OG SER A 109 -16.785 3.797 1.653 1.00 1.41 O ATOM 0 H SER A 109 -14.664 4.327 0.797 1.00 0.31 H new ATOM 0 HA SER A 109 -14.945 4.752 3.612 1.00 0.40 H new ATOM 0 HB2 SER A 109 -15.609 2.181 2.157 1.00 0.56 H new ATOM 0 HB3 SER A 109 -16.457 2.932 3.495 1.00 0.56 H new ATOM 0 HG SER A 109 -16.586 3.496 0.742 1.00 1.41 H new ATOM 335 N ILE A 110 -12.481 2.983 2.696 1.00 0.23 N ATOM 336 CA ILE A 110 -11.348 2.200 3.155 1.00 0.20 C ATOM 337 C ILE A 110 -10.524 3.011 4.152 1.00 0.20 C ATOM 338 O ILE A 110 -9.938 4.036 3.807 1.00 0.26 O ATOM 339 CB ILE A 110 -10.464 1.739 1.973 1.00 0.20 C ATOM 340 CG1 ILE A 110 -11.259 0.796 1.057 1.00 0.21 C ATOM 341 CG2 ILE A 110 -9.195 1.057 2.477 1.00 0.22 C ATOM 342 CD1 ILE A 110 -11.601 -0.534 1.696 1.00 0.23 C ATOM 0 H ILE A 110 -12.358 3.407 1.776 1.00 0.23 H new ATOM 0 HA ILE A 110 -11.731 1.307 3.649 1.00 0.20 H new ATOM 0 HB ILE A 110 -10.167 2.617 1.399 1.00 0.20 H new ATOM 0 HG12 ILE A 110 -12.182 1.291 0.755 1.00 0.21 H new ATOM 0 HG13 ILE A 110 -10.683 0.615 0.150 1.00 0.21 H new ATOM 0 HG21 ILE A 110 -8.589 0.742 1.627 1.00 0.22 H new ATOM 0 HG22 ILE A 110 -8.625 1.756 3.089 1.00 0.22 H new ATOM 0 HG23 ILE A 110 -9.463 0.186 3.075 1.00 0.22 H new ATOM 0 HD11 ILE A 110 -12.162 -1.144 0.988 1.00 0.23 H new ATOM 0 HD12 ILE A 110 -10.683 -1.051 1.973 1.00 0.23 H new ATOM 0 HD13 ILE A 110 -12.205 -0.365 2.587 1.00 0.23 H new ATOM 354 N ASP A 111 -10.514 2.554 5.393 1.00 0.17 N ATOM 355 CA ASP A 111 -9.793 3.233 6.464 1.00 0.18 C ATOM 356 C ASP A 111 -8.455 2.534 6.691 1.00 0.14 C ATOM 357 O ASP A 111 -8.131 1.575 5.987 1.00 0.13 O ATOM 358 CB ASP A 111 -10.634 3.214 7.747 1.00 0.23 C ATOM 359 CG ASP A 111 -10.158 4.204 8.792 1.00 1.01 C ATOM 360 OD1 ASP A 111 -9.284 3.842 9.607 1.00 1.59 O ATOM 361 OD2 ASP A 111 -10.657 5.347 8.803 1.00 1.23 O ATOM 0 H ASP A 111 -11.001 1.708 5.688 1.00 0.17 H new ATOM 0 HA ASP A 111 -9.609 4.271 6.186 1.00 0.18 H new ATOM 0 HB2 ASP A 111 -11.672 3.433 7.496 1.00 0.23 H new ATOM 0 HB3 ASP A 111 -10.613 2.210 8.172 1.00 0.23 H new ATOM 366 N ASN A 112 -7.699 2.978 7.688 1.00 0.15 N ATOM 367 CA ASN A 112 -6.401 2.387 7.985 1.00 0.13 C ATOM 368 C ASN A 112 -6.629 0.979 8.476 1.00 0.11 C ATOM 369 O ASN A 112 -5.857 0.065 8.197 1.00 0.12 O ATOM 370 CB ASN A 112 -5.659 3.173 9.071 1.00 0.16 C ATOM 371 CG ASN A 112 -5.326 4.604 8.684 1.00 0.19 C ATOM 372 OD1 ASN A 112 -5.964 5.203 7.816 1.00 0.60 O ATOM 373 ND2 ASN A 112 -4.339 5.176 9.356 1.00 0.55 N ATOM 0 H ASN A 112 -7.963 3.746 8.305 1.00 0.15 H new ATOM 0 HA ASN A 112 -5.793 2.403 7.080 1.00 0.13 H new ATOM 0 HB2 ASN A 112 -6.267 3.185 9.975 1.00 0.16 H new ATOM 0 HB3 ASN A 112 -4.735 2.650 9.315 1.00 0.16 H new ATOM 0 HD21 ASN A 112 -4.084 6.144 9.162 1.00 0.55 H new ATOM 0 HD22 ASN A 112 -3.833 4.648 10.068 1.00 0.55 H new ATOM 380 N LYS A 113 -7.735 0.826 9.186 1.00 0.12 N ATOM 381 CA LYS A 113 -8.141 -0.424 9.747 1.00 0.12 C ATOM 382 C LYS A 113 -8.523 -1.364 8.639 1.00 0.11 C ATOM 383 O LYS A 113 -8.123 -2.509 8.609 1.00 0.11 O ATOM 384 CB LYS A 113 -9.369 -0.154 10.566 1.00 0.15 C ATOM 385 CG LYS A 113 -9.508 -0.990 11.827 1.00 0.28 C ATOM 386 CD LYS A 113 -9.334 -2.484 11.583 1.00 0.54 C ATOM 387 CE LYS A 113 -10.660 -3.213 11.380 1.00 1.63 C ATOM 388 NZ LYS A 113 -11.620 -2.936 12.482 1.00 2.58 N ATOM 0 H LYS A 113 -8.379 1.591 9.385 1.00 0.12 H new ATOM 0 HA LYS A 113 -7.339 -0.861 10.342 1.00 0.12 H new ATOM 0 HB2 LYS A 113 -9.374 0.899 10.846 1.00 0.15 H new ATOM 0 HB3 LYS A 113 -10.246 -0.321 9.941 1.00 0.15 H new ATOM 0 HG2 LYS A 113 -8.769 -0.660 12.557 1.00 0.28 H new ATOM 0 HG3 LYS A 113 -10.490 -0.813 12.266 1.00 0.28 H new ATOM 0 HD2 LYS A 113 -8.706 -2.632 10.705 1.00 0.54 H new ATOM 0 HD3 LYS A 113 -8.808 -2.926 12.429 1.00 0.54 H new ATOM 0 HE2 LYS A 113 -11.100 -2.909 10.430 1.00 1.63 H new ATOM 0 HE3 LYS A 113 -10.479 -4.286 11.318 1.00 1.63 H new ATOM 0 HZ1 LYS A 113 -12.092 -3.820 12.762 1.00 2.58 H new ATOM 0 HZ2 LYS A 113 -11.108 -2.544 13.298 1.00 2.58 H new ATOM 0 HZ3 LYS A 113 -12.332 -2.251 12.158 1.00 2.58 H new ATOM 402 N ALA A 114 -9.328 -0.837 7.743 1.00 0.11 N ATOM 403 CA ALA A 114 -9.833 -1.587 6.605 1.00 0.12 C ATOM 404 C ALA A 114 -8.692 -2.069 5.721 1.00 0.11 C ATOM 405 O ALA A 114 -8.666 -3.221 5.280 1.00 0.13 O ATOM 406 CB ALA A 114 -10.774 -0.704 5.806 1.00 0.15 C ATOM 0 H ALA A 114 -9.655 0.129 7.780 1.00 0.11 H new ATOM 0 HA ALA A 114 -10.369 -2.464 6.969 1.00 0.12 H new ATOM 0 HB1 ALA A 114 -11.157 -1.261 4.950 1.00 0.15 H new ATOM 0 HB2 ALA A 114 -11.606 -0.393 6.438 1.00 0.15 H new ATOM 0 HB3 ALA A 114 -10.236 0.177 5.455 1.00 0.15 H new ATOM 412 N LEU A 115 -7.748 -1.177 5.479 1.00 0.09 N ATOM 413 CA LEU A 115 -6.571 -1.500 4.698 1.00 0.09 C ATOM 414 C LEU A 115 -5.732 -2.532 5.454 1.00 0.08 C ATOM 415 O LEU A 115 -5.317 -3.546 4.887 1.00 0.09 O ATOM 416 CB LEU A 115 -5.781 -0.208 4.442 1.00 0.10 C ATOM 417 CG LEU A 115 -4.826 -0.218 3.245 1.00 0.11 C ATOM 418 CD1 LEU A 115 -4.228 1.163 3.033 1.00 0.16 C ATOM 419 CD2 LEU A 115 -3.724 -1.234 3.440 1.00 0.11 C ATOM 0 H LEU A 115 -7.776 -0.215 5.817 1.00 0.09 H new ATOM 0 HA LEU A 115 -6.849 -1.932 3.737 1.00 0.09 H new ATOM 0 HB2 LEU A 115 -6.493 0.606 4.304 1.00 0.10 H new ATOM 0 HB3 LEU A 115 -5.204 0.022 5.337 1.00 0.10 H new ATOM 0 HG LEU A 115 -5.398 -0.497 2.360 1.00 0.11 H new ATOM 0 HD11 LEU A 115 -3.551 1.139 2.179 1.00 0.16 H new ATOM 0 HD12 LEU A 115 -5.027 1.880 2.844 1.00 0.16 H new ATOM 0 HD13 LEU A 115 -3.676 1.461 3.924 1.00 0.16 H new ATOM 0 HD21 LEU A 115 -3.060 -1.221 2.576 1.00 0.11 H new ATOM 0 HD22 LEU A 115 -3.157 -0.988 4.338 1.00 0.11 H new ATOM 0 HD23 LEU A 115 -4.160 -2.227 3.547 1.00 0.11 H new ATOM 431 N TYR A 116 -5.523 -2.284 6.741 1.00 0.08 N ATOM 432 CA TYR A 116 -4.804 -3.218 7.594 1.00 0.09 C ATOM 433 C TYR A 116 -5.508 -4.561 7.637 1.00 0.10 C ATOM 434 O TYR A 116 -4.879 -5.596 7.461 1.00 0.11 O ATOM 435 CB TYR A 116 -4.662 -2.658 9.019 1.00 0.10 C ATOM 436 CG TYR A 116 -4.072 -3.649 10.003 1.00 0.13 C ATOM 437 CD1 TYR A 116 -4.883 -4.529 10.712 1.00 0.18 C ATOM 438 CD2 TYR A 116 -2.703 -3.716 10.204 1.00 0.19 C ATOM 439 CE1 TYR A 116 -4.340 -5.443 11.596 1.00 0.23 C ATOM 440 CE2 TYR A 116 -2.152 -4.630 11.084 1.00 0.24 C ATOM 441 CZ TYR A 116 -2.975 -5.490 11.775 1.00 0.23 C ATOM 442 OH TYR A 116 -2.430 -6.402 12.648 1.00 0.30 O ATOM 0 H TYR A 116 -5.843 -1.441 7.217 1.00 0.08 H new ATOM 0 HA TYR A 116 -3.809 -3.357 7.170 1.00 0.09 H new ATOM 0 HB2 TYR A 116 -4.033 -1.769 8.990 1.00 0.10 H new ATOM 0 HB3 TYR A 116 -5.642 -2.343 9.376 1.00 0.10 H new ATOM 0 HD1 TYR A 116 -5.953 -4.498 10.570 1.00 0.18 H new ATOM 0 HD2 TYR A 116 -2.054 -3.042 9.664 1.00 0.19 H new ATOM 0 HE1 TYR A 116 -4.983 -6.117 12.143 1.00 0.23 H new ATOM 0 HE2 TYR A 116 -1.082 -4.669 11.228 1.00 0.24 H new ATOM 0 HH TYR A 116 -1.455 -6.304 12.657 1.00 0.30 H new ATOM 452 N ASP A 117 -6.819 -4.533 7.837 1.00 0.10 N ATOM 453 CA ASP A 117 -7.606 -5.750 7.989 1.00 0.12 C ATOM 454 C ASP A 117 -7.430 -6.664 6.791 1.00 0.12 C ATOM 455 O ASP A 117 -7.291 -7.878 6.936 1.00 0.15 O ATOM 456 CB ASP A 117 -9.087 -5.395 8.129 1.00 0.16 C ATOM 457 CG ASP A 117 -9.958 -6.616 8.332 1.00 0.27 C ATOM 458 OD1 ASP A 117 -10.412 -7.203 7.329 1.00 0.40 O ATOM 459 OD2 ASP A 117 -10.200 -6.989 9.499 1.00 0.36 O ATOM 0 H ASP A 117 -7.364 -3.673 7.898 1.00 0.10 H new ATOM 0 HA ASP A 117 -7.258 -6.268 8.883 1.00 0.12 H new ATOM 0 HB2 ASP A 117 -9.217 -4.716 8.972 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -9.416 -4.862 7.237 1.00 0.16 H new ATOM 464 N THR A 118 -7.417 -6.072 5.613 1.00 0.11 N ATOM 465 CA THR A 118 -7.323 -6.834 4.388 1.00 0.11 C ATOM 466 C THR A 118 -5.891 -7.323 4.126 1.00 0.10 C ATOM 467 O THR A 118 -5.663 -8.516 3.912 1.00 0.12 O ATOM 468 CB THR A 118 -7.818 -5.987 3.200 1.00 0.13 C ATOM 469 OG1 THR A 118 -9.090 -5.402 3.521 1.00 0.22 O ATOM 470 CG2 THR A 118 -7.954 -6.837 1.948 1.00 0.17 C ATOM 0 H THR A 118 -7.471 -5.062 5.480 1.00 0.11 H new ATOM 0 HA THR A 118 -7.957 -7.714 4.497 1.00 0.11 H new ATOM 0 HB THR A 118 -7.087 -5.202 3.009 1.00 0.13 H new ATOM 0 HG1 THR A 118 -8.958 -4.646 4.131 1.00 0.22 H new ATOM 0 HG21 THR A 118 -8.305 -6.217 1.123 1.00 0.17 H new ATOM 0 HG22 THR A 118 -6.985 -7.266 1.693 1.00 0.17 H new ATOM 0 HG23 THR A 118 -8.670 -7.639 2.129 1.00 0.17 H new ATOM 478 N PHE A 119 -4.929 -6.404 4.153 1.00 0.08 N ATOM 479 CA PHE A 119 -3.545 -6.728 3.808 1.00 0.08 C ATOM 480 C PHE A 119 -2.848 -7.556 4.896 1.00 0.08 C ATOM 481 O PHE A 119 -1.937 -8.326 4.601 1.00 0.09 O ATOM 482 CB PHE A 119 -2.752 -5.463 3.457 1.00 0.08 C ATOM 483 CG PHE A 119 -3.200 -4.818 2.162 1.00 0.08 C ATOM 484 CD1 PHE A 119 -4.463 -4.241 2.035 1.00 0.10 C ATOM 485 CD2 PHE A 119 -2.356 -4.795 1.064 1.00 0.08 C ATOM 486 CE1 PHE A 119 -4.858 -3.664 0.846 1.00 0.11 C ATOM 487 CE2 PHE A 119 -2.749 -4.219 -0.125 1.00 0.10 C ATOM 488 CZ PHE A 119 -4.048 -3.613 -0.199 1.00 0.09 C ATOM 0 H PHE A 119 -5.081 -5.429 4.410 1.00 0.08 H new ATOM 0 HA PHE A 119 -3.576 -7.357 2.919 1.00 0.08 H new ATOM 0 HB2 PHE A 119 -2.853 -4.742 4.268 1.00 0.08 H new ATOM 0 HB3 PHE A 119 -1.694 -5.714 3.383 1.00 0.08 H new ATOM 0 HD1 PHE A 119 -5.139 -4.246 2.877 1.00 0.10 H new ATOM 0 HD2 PHE A 119 -1.373 -5.236 1.141 1.00 0.08 H new ATOM 0 HE1 PHE A 119 -5.850 -3.245 0.766 1.00 0.11 H new ATOM 0 HE2 PHE A 119 -2.093 -4.224 -0.983 1.00 0.10 H new ATOM 0 HZ PHE A 119 -4.363 -3.117 -1.105 1.00 0.09 H new ATOM 498 N SER A 120 -3.271 -7.396 6.152 1.00 0.09 N ATOM 499 CA SER A 120 -2.642 -8.095 7.280 1.00 0.09 C ATOM 500 C SER A 120 -2.683 -9.610 7.091 1.00 0.08 C ATOM 501 O SER A 120 -1.833 -10.330 7.612 1.00 0.09 O ATOM 502 CB SER A 120 -3.295 -7.721 8.615 1.00 0.13 C ATOM 503 OG SER A 120 -2.609 -8.324 9.702 1.00 0.19 O ATOM 0 H SER A 120 -4.047 -6.789 6.416 1.00 0.09 H new ATOM 0 HA SER A 120 -1.601 -7.774 7.304 1.00 0.09 H new ATOM 0 HB2 SER A 120 -3.293 -6.638 8.735 1.00 0.13 H new ATOM 0 HB3 SER A 120 -4.337 -8.039 8.616 1.00 0.13 H new ATOM 0 HG SER A 120 -2.558 -7.691 10.448 1.00 0.19 H new ATOM 509 N ALA A 121 -3.687 -10.093 6.372 1.00 0.09 N ATOM 510 CA ALA A 121 -3.804 -11.516 6.073 1.00 0.11 C ATOM 511 C ALA A 121 -2.548 -12.048 5.368 1.00 0.11 C ATOM 512 O ALA A 121 -2.280 -13.249 5.378 1.00 0.13 O ATOM 513 CB ALA A 121 -5.035 -11.766 5.220 1.00 0.14 C ATOM 0 H ALA A 121 -4.435 -9.519 5.983 1.00 0.09 H new ATOM 0 HA ALA A 121 -3.905 -12.053 7.016 1.00 0.11 H new ATOM 0 HB1 ALA A 121 -5.116 -12.831 5.001 1.00 0.14 H new ATOM 0 HB2 ALA A 121 -5.924 -11.438 5.759 1.00 0.14 H new ATOM 0 HB3 ALA A 121 -4.950 -11.209 4.287 1.00 0.14 H new ATOM 519 N PHE A 122 -1.784 -11.147 4.758 1.00 0.08 N ATOM 520 CA PHE A 122 -0.569 -11.520 4.039 1.00 0.09 C ATOM 521 C PHE A 122 0.660 -11.377 4.929 1.00 0.10 C ATOM 522 O PHE A 122 1.737 -11.881 4.604 1.00 0.18 O ATOM 523 CB PHE A 122 -0.426 -10.646 2.795 1.00 0.09 C ATOM 524 CG PHE A 122 -1.679 -10.615 1.980 1.00 0.09 C ATOM 525 CD1 PHE A 122 -2.212 -11.785 1.477 1.00 0.13 C ATOM 526 CD2 PHE A 122 -2.337 -9.423 1.741 1.00 0.10 C ATOM 527 CE1 PHE A 122 -3.382 -11.769 0.749 1.00 0.16 C ATOM 528 CE2 PHE A 122 -3.505 -9.396 1.010 1.00 0.12 C ATOM 529 CZ PHE A 122 -4.030 -10.572 0.513 1.00 0.13 C ATOM 0 H PHE A 122 -1.986 -10.147 4.747 1.00 0.08 H new ATOM 0 HA PHE A 122 -0.646 -12.566 3.742 1.00 0.09 H new ATOM 0 HB2 PHE A 122 -0.164 -9.631 3.094 1.00 0.09 H new ATOM 0 HB3 PHE A 122 0.395 -11.020 2.183 1.00 0.09 H new ATOM 0 HD1 PHE A 122 -1.707 -12.723 1.656 1.00 0.13 H new ATOM 0 HD2 PHE A 122 -1.931 -8.502 2.132 1.00 0.10 H new ATOM 0 HE1 PHE A 122 -3.792 -12.691 0.364 1.00 0.16 H new ATOM 0 HE2 PHE A 122 -4.008 -8.458 0.827 1.00 0.12 H new ATOM 0 HZ PHE A 122 -4.946 -10.556 -0.059 1.00 0.13 H new ATOM 539 N GLY A 123 0.490 -10.688 6.051 1.00 0.09 N ATOM 540 CA GLY A 123 1.581 -10.491 6.983 1.00 0.10 C ATOM 541 C GLY A 123 1.291 -9.375 7.964 1.00 0.09 C ATOM 542 O GLY A 123 0.351 -8.601 7.771 1.00 0.11 O ATOM 0 H GLY A 123 -0.392 -10.260 6.332 1.00 0.09 H new ATOM 0 HA2 GLY A 123 1.763 -11.416 7.529 1.00 0.10 H new ATOM 0 HA3 GLY A 123 2.493 -10.262 6.431 1.00 0.10 H new ATOM 546 N ASN A 124 2.084 -9.289 9.020 1.00 0.13 N ATOM 547 CA ASN A 124 1.910 -8.239 10.016 1.00 0.14 C ATOM 548 C ASN A 124 2.292 -6.893 9.421 1.00 0.11 C ATOM 549 O ASN A 124 3.267 -6.783 8.683 1.00 0.14 O ATOM 550 CB ASN A 124 2.755 -8.528 11.261 1.00 0.18 C ATOM 551 CG ASN A 124 2.554 -7.498 12.361 1.00 0.21 C ATOM 552 OD1 ASN A 124 1.477 -6.911 12.494 1.00 0.24 O ATOM 553 ND2 ASN A 124 3.584 -7.276 13.163 1.00 0.25 N ATOM 0 H ASN A 124 2.853 -9.931 9.211 1.00 0.13 H new ATOM 0 HA ASN A 124 0.862 -8.212 10.314 1.00 0.14 H new ATOM 0 HB2 ASN A 124 2.502 -9.517 11.645 1.00 0.18 H new ATOM 0 HB3 ASN A 124 3.808 -8.554 10.982 1.00 0.18 H new ATOM 0 HD21 ASN A 124 3.503 -6.600 13.922 1.00 0.25 H new ATOM 0 HD22 ASN A 124 4.459 -7.781 13.021 1.00 0.25 H new ATOM 560 N ILE A 125 1.507 -5.883 9.729 1.00 0.11 N ATOM 561 CA ILE A 125 1.739 -4.547 9.217 1.00 0.10 C ATOM 562 C ILE A 125 2.174 -3.630 10.351 1.00 0.11 C ATOM 563 O ILE A 125 1.573 -3.644 11.423 1.00 0.14 O ATOM 564 CB ILE A 125 0.461 -3.980 8.569 1.00 0.11 C ATOM 565 CG1 ILE A 125 -0.033 -4.912 7.459 1.00 0.10 C ATOM 566 CG2 ILE A 125 0.708 -2.581 8.026 1.00 0.14 C ATOM 567 CD1 ILE A 125 -1.346 -4.479 6.841 1.00 0.11 C ATOM 0 H ILE A 125 0.693 -5.963 10.339 1.00 0.11 H new ATOM 0 HA ILE A 125 2.523 -4.601 8.462 1.00 0.10 H new ATOM 0 HB ILE A 125 -0.313 -3.914 9.334 1.00 0.11 H new ATOM 0 HG12 ILE A 125 0.726 -4.967 6.678 1.00 0.10 H new ATOM 0 HG13 ILE A 125 -0.146 -5.917 7.864 1.00 0.10 H new ATOM 0 HG21 ILE A 125 -0.207 -2.200 7.573 1.00 0.14 H new ATOM 0 HG22 ILE A 125 1.011 -1.923 8.840 1.00 0.14 H new ATOM 0 HG23 ILE A 125 1.497 -2.616 7.275 1.00 0.14 H new ATOM 0 HD11 ILE A 125 -1.633 -5.187 6.063 1.00 0.11 H new ATOM 0 HD12 ILE A 125 -2.118 -4.452 7.610 1.00 0.11 H new ATOM 0 HD13 ILE A 125 -1.233 -3.486 6.405 1.00 0.11 H new ATOM 579 N LEU A 126 3.212 -2.838 10.123 1.00 0.13 N ATOM 580 CA LEU A 126 3.694 -1.929 11.150 1.00 0.15 C ATOM 581 C LEU A 126 2.933 -0.621 11.029 1.00 0.16 C ATOM 582 O LEU A 126 2.360 -0.116 11.995 1.00 0.24 O ATOM 583 CB LEU A 126 5.206 -1.641 11.027 1.00 0.19 C ATOM 584 CG LEU A 126 6.161 -2.837 10.855 1.00 0.21 C ATOM 585 CD1 LEU A 126 5.587 -4.123 11.429 1.00 0.53 C ATOM 586 CD2 LEU A 126 6.547 -2.997 9.394 1.00 0.54 C ATOM 0 H LEU A 126 3.731 -2.807 9.246 1.00 0.13 H new ATOM 0 HA LEU A 126 3.530 -2.402 12.118 1.00 0.15 H new ATOM 0 HB2 LEU A 126 5.350 -0.974 10.177 1.00 0.19 H new ATOM 0 HB3 LEU A 126 5.515 -1.093 11.918 1.00 0.19 H new ATOM 0 HG LEU A 126 7.064 -2.625 11.428 1.00 0.21 H new ATOM 0 HD11 LEU A 126 6.298 -4.936 11.283 1.00 0.53 H new ATOM 0 HD12 LEU A 126 5.398 -3.993 12.495 1.00 0.53 H new ATOM 0 HD13 LEU A 126 4.653 -4.363 10.922 1.00 0.53 H new ATOM 0 HD21 LEU A 126 7.222 -3.846 9.287 1.00 0.54 H new ATOM 0 HD22 LEU A 126 5.651 -3.169 8.798 1.00 0.54 H new ATOM 0 HD23 LEU A 126 7.045 -2.091 9.048 1.00 0.54 H new ATOM 598 N SER A 127 2.906 -0.104 9.808 1.00 0.14 N ATOM 599 CA SER A 127 2.290 1.174 9.526 1.00 0.17 C ATOM 600 C SER A 127 1.487 1.112 8.230 1.00 0.19 C ATOM 601 O SER A 127 2.049 1.168 7.136 1.00 0.37 O ATOM 602 CB SER A 127 3.368 2.255 9.421 1.00 0.19 C ATOM 603 OG SER A 127 4.144 2.324 10.607 1.00 0.76 O ATOM 0 H SER A 127 3.311 -0.562 8.991 1.00 0.14 H new ATOM 0 HA SER A 127 1.609 1.419 10.341 1.00 0.17 H new ATOM 0 HB2 SER A 127 4.017 2.044 8.571 1.00 0.19 H new ATOM 0 HB3 SER A 127 2.900 3.221 9.233 1.00 0.19 H new ATOM 0 HG SER A 127 4.826 3.022 10.512 1.00 0.76 H new ATOM 609 N CYS A 128 0.184 0.945 8.358 1.00 0.18 N ATOM 610 CA CYS A 128 -0.714 1.029 7.217 1.00 0.17 C ATOM 611 C CYS A 128 -1.333 2.414 7.171 1.00 0.16 C ATOM 612 O CYS A 128 -1.674 2.980 8.210 1.00 0.28 O ATOM 613 CB CYS A 128 -1.794 -0.043 7.316 1.00 0.21 C ATOM 614 SG CYS A 128 -2.245 -0.449 9.016 1.00 0.72 S ATOM 0 H CYS A 128 -0.280 0.749 9.245 1.00 0.18 H new ATOM 0 HA CYS A 128 -0.154 0.859 6.297 1.00 0.17 H new ATOM 0 HB2 CYS A 128 -2.682 0.296 6.783 1.00 0.21 H new ATOM 0 HB3 CYS A 128 -1.447 -0.946 6.814 1.00 0.21 H new ATOM 0 HG CYS A 128 -2.292 0.640 9.724 1.00 0.72 H new ATOM 620 N LYS A 129 -1.465 2.969 5.984 1.00 0.13 N ATOM 621 CA LYS A 129 -1.899 4.345 5.860 1.00 0.14 C ATOM 622 C LYS A 129 -2.884 4.522 4.711 1.00 0.12 C ATOM 623 O LYS A 129 -2.626 4.089 3.590 1.00 0.12 O ATOM 624 CB LYS A 129 -0.671 5.238 5.636 1.00 0.18 C ATOM 625 CG LYS A 129 -0.939 6.734 5.724 1.00 0.23 C ATOM 626 CD LYS A 129 -1.180 7.177 7.157 1.00 0.36 C ATOM 627 CE LYS A 129 -1.238 8.691 7.275 1.00 0.47 C ATOM 628 NZ LYS A 129 -1.542 9.123 8.665 1.00 1.00 N ATOM 0 H LYS A 129 -1.280 2.495 5.100 1.00 0.13 H new ATOM 0 HA LYS A 129 -2.411 4.630 6.779 1.00 0.14 H new ATOM 0 HB2 LYS A 129 0.089 4.976 6.372 1.00 0.18 H new ATOM 0 HB3 LYS A 129 -0.253 5.016 4.654 1.00 0.18 H new ATOM 0 HG2 LYS A 129 -0.091 7.281 5.312 1.00 0.23 H new ATOM 0 HG3 LYS A 129 -1.807 6.985 5.114 1.00 0.23 H new ATOM 0 HD2 LYS A 129 -2.115 6.748 7.518 1.00 0.36 H new ATOM 0 HD3 LYS A 129 -0.385 6.792 7.795 1.00 0.36 H new ATOM 0 HE2 LYS A 129 -0.285 9.117 6.962 1.00 0.47 H new ATOM 0 HE3 LYS A 129 -1.999 9.080 6.598 1.00 0.47 H new ATOM 0 HZ1 LYS A 129 -1.573 10.162 8.707 1.00 1.00 H new ATOM 0 HZ2 LYS A 129 -2.463 8.737 8.955 1.00 1.00 H new ATOM 0 HZ3 LYS A 129 -0.802 8.773 9.307 1.00 1.00 H new ATOM 642 N VAL A 130 -4.006 5.156 5.008 1.00 0.15 N ATOM 643 CA VAL A 130 -4.923 5.623 3.989 1.00 0.17 C ATOM 644 C VAL A 130 -4.913 7.129 4.059 1.00 0.20 C ATOM 645 O VAL A 130 -5.395 7.723 5.023 1.00 0.24 O ATOM 646 CB VAL A 130 -6.376 5.121 4.168 1.00 0.21 C ATOM 647 CG1 VAL A 130 -7.269 5.693 3.068 1.00 0.28 C ATOM 648 CG2 VAL A 130 -6.440 3.598 4.174 1.00 0.21 C ATOM 0 H VAL A 130 -4.304 5.360 5.962 1.00 0.15 H new ATOM 0 HA VAL A 130 -4.591 5.232 3.027 1.00 0.17 H new ATOM 0 HB VAL A 130 -6.739 5.470 5.135 1.00 0.21 H new ATOM 0 HG11 VAL A 130 -8.289 5.333 3.204 1.00 0.28 H new ATOM 0 HG12 VAL A 130 -7.258 6.782 3.120 1.00 0.28 H new ATOM 0 HG13 VAL A 130 -6.898 5.373 2.095 1.00 0.28 H new ATOM 0 HG21 VAL A 130 -7.474 3.278 4.301 1.00 0.21 H new ATOM 0 HG22 VAL A 130 -6.055 3.214 3.229 1.00 0.21 H new ATOM 0 HG23 VAL A 130 -5.837 3.212 4.996 1.00 0.21 H new ATOM 658 N VAL A 131 -4.335 7.738 3.060 1.00 0.21 N ATOM 659 CA VAL A 131 -4.108 9.160 3.083 1.00 0.27 C ATOM 660 C VAL A 131 -5.393 9.891 2.739 1.00 0.33 C ATOM 661 O VAL A 131 -6.065 9.558 1.757 1.00 0.33 O ATOM 662 CB VAL A 131 -2.971 9.518 2.118 1.00 0.28 C ATOM 663 CG1 VAL A 131 -2.536 10.966 2.293 1.00 0.34 C ATOM 664 CG2 VAL A 131 -1.809 8.563 2.356 1.00 0.25 C ATOM 0 H VAL A 131 -4.010 7.270 2.214 1.00 0.21 H new ATOM 0 HA VAL A 131 -3.807 9.472 4.083 1.00 0.27 H new ATOM 0 HB VAL A 131 -3.322 9.414 1.091 1.00 0.28 H new ATOM 0 HG11 VAL A 131 -1.729 11.190 1.596 1.00 0.34 H new ATOM 0 HG12 VAL A 131 -3.381 11.626 2.095 1.00 0.34 H new ATOM 0 HG13 VAL A 131 -2.187 11.120 3.314 1.00 0.34 H new ATOM 0 HG21 VAL A 131 -0.993 8.806 1.676 1.00 0.25 H new ATOM 0 HG22 VAL A 131 -1.464 8.659 3.386 1.00 0.25 H new ATOM 0 HG23 VAL A 131 -2.137 7.539 2.177 1.00 0.25 H new ATOM 766 N GLY A 139 -7.298 8.496 -2.342 1.00 0.27 N ATOM 767 CA GLY A 139 -7.438 7.469 -3.357 1.00 0.26 C ATOM 768 C GLY A 139 -6.344 6.425 -3.305 1.00 0.21 C ATOM 769 O GLY A 139 -6.457 5.372 -3.928 1.00 0.31 O ATOM 0 HA2 GLY A 139 -8.404 6.979 -3.238 1.00 0.26 H new ATOM 0 HA3 GLY A 139 -7.437 7.938 -4.341 1.00 0.26 H new ATOM 773 N TYR A 140 -5.288 6.705 -2.562 1.00 0.19 N ATOM 774 CA TYR A 140 -4.153 5.799 -2.494 1.00 0.15 C ATOM 775 C TYR A 140 -3.702 5.596 -1.053 1.00 0.13 C ATOM 776 O TYR A 140 -3.943 6.445 -0.188 1.00 0.16 O ATOM 777 CB TYR A 140 -2.998 6.313 -3.363 1.00 0.19 C ATOM 778 CG TYR A 140 -2.580 7.739 -3.085 1.00 0.23 C ATOM 779 CD1 TYR A 140 -3.255 8.804 -3.667 1.00 0.26 C ATOM 780 CD2 TYR A 140 -1.525 8.019 -2.224 1.00 0.31 C ATOM 781 CE1 TYR A 140 -2.888 10.109 -3.404 1.00 0.34 C ATOM 782 CE2 TYR A 140 -1.156 9.322 -1.951 1.00 0.39 C ATOM 783 CZ TYR A 140 -1.781 10.356 -2.606 1.00 0.41 C ATOM 784 OH TYR A 140 -1.481 11.661 -2.274 1.00 0.49 O ATOM 0 H TYR A 140 -5.192 7.550 -1.998 1.00 0.19 H new ATOM 0 HA TYR A 140 -4.468 4.831 -2.884 1.00 0.15 H new ATOM 0 HB2 TYR A 140 -2.136 5.662 -3.218 1.00 0.19 H new ATOM 0 HB3 TYR A 140 -3.287 6.232 -4.411 1.00 0.19 H new ATOM 0 HD1 TYR A 140 -4.080 8.608 -4.336 1.00 0.26 H new ATOM 0 HD2 TYR A 140 -0.986 7.206 -1.762 1.00 0.31 H new ATOM 0 HE1 TYR A 140 -3.457 10.929 -3.816 1.00 0.34 H new ATOM 0 HE2 TYR A 140 -0.381 9.527 -1.227 1.00 0.39 H new ATOM 0 HH TYR A 140 -0.680 11.679 -1.710 1.00 0.49 H new ATOM 794 N GLY A 141 -3.060 4.466 -0.804 1.00 0.11 N ATOM 795 CA GLY A 141 -2.612 4.135 0.531 1.00 0.11 C ATOM 796 C GLY A 141 -1.294 3.392 0.517 1.00 0.10 C ATOM 797 O GLY A 141 -0.780 3.060 -0.552 1.00 0.12 O ATOM 0 H GLY A 141 -2.839 3.765 -1.512 1.00 0.11 H new ATOM 0 HA2 GLY A 141 -2.507 5.049 1.116 1.00 0.11 H new ATOM 0 HA3 GLY A 141 -3.367 3.525 1.026 1.00 0.11 H new ATOM 801 N PHE A 142 -0.750 3.128 1.697 1.00 0.10 N ATOM 802 CA PHE A 142 0.548 2.473 1.817 1.00 0.10 C ATOM 803 C PHE A 142 0.520 1.409 2.910 1.00 0.10 C ATOM 804 O PHE A 142 -0.081 1.615 3.968 1.00 0.14 O ATOM 805 CB PHE A 142 1.635 3.493 2.156 1.00 0.12 C ATOM 806 CG PHE A 142 1.689 4.674 1.225 1.00 0.14 C ATOM 807 CD1 PHE A 142 2.113 4.521 -0.087 1.00 0.16 C ATOM 808 CD2 PHE A 142 1.316 5.937 1.660 1.00 0.21 C ATOM 809 CE1 PHE A 142 2.161 5.605 -0.945 1.00 0.19 C ATOM 810 CE2 PHE A 142 1.363 7.022 0.806 1.00 0.25 C ATOM 811 CZ PHE A 142 1.792 6.861 -0.492 1.00 0.22 C ATOM 0 H PHE A 142 -1.188 3.358 2.589 1.00 0.10 H new ATOM 0 HA PHE A 142 0.769 2.004 0.858 1.00 0.10 H new ATOM 0 HB2 PHE A 142 1.474 3.853 3.172 1.00 0.12 H new ATOM 0 HB3 PHE A 142 2.603 2.992 2.145 1.00 0.12 H new ATOM 0 HD1 PHE A 142 2.409 3.545 -0.442 1.00 0.16 H new ATOM 0 HD2 PHE A 142 0.985 6.074 2.679 1.00 0.21 H new ATOM 0 HE1 PHE A 142 2.486 5.472 -1.966 1.00 0.19 H new ATOM 0 HE2 PHE A 142 1.063 7.998 1.157 1.00 0.25 H new ATOM 0 HZ PHE A 142 1.841 7.712 -1.156 1.00 0.22 H new ATOM 821 N VAL A 143 1.152 0.270 2.655 1.00 0.08 N ATOM 822 CA VAL A 143 1.338 -0.740 3.690 1.00 0.08 C ATOM 823 C VAL A 143 2.806 -0.863 4.058 1.00 0.08 C ATOM 824 O VAL A 143 3.674 -0.915 3.186 1.00 0.09 O ATOM 825 CB VAL A 143 0.844 -2.137 3.257 1.00 0.08 C ATOM 826 CG1 VAL A 143 0.955 -3.143 4.402 1.00 0.07 C ATOM 827 CG2 VAL A 143 -0.579 -2.068 2.754 1.00 0.10 C ATOM 0 H VAL A 143 1.543 0.023 1.746 1.00 0.08 H new ATOM 0 HA VAL A 143 0.746 -0.406 4.542 1.00 0.08 H new ATOM 0 HB VAL A 143 1.485 -2.478 2.444 1.00 0.08 H new ATOM 0 HG11 VAL A 143 0.600 -4.117 4.066 1.00 0.07 H new ATOM 0 HG12 VAL A 143 1.996 -3.225 4.715 1.00 0.07 H new ATOM 0 HG13 VAL A 143 0.349 -2.806 5.243 1.00 0.07 H new ATOM 0 HG21 VAL A 143 -0.908 -3.063 2.454 1.00 0.10 H new ATOM 0 HG22 VAL A 143 -1.228 -1.695 3.547 1.00 0.10 H new ATOM 0 HG23 VAL A 143 -0.630 -1.396 1.898 1.00 0.10 H new ATOM 837 N HIS A 144 3.078 -0.875 5.346 1.00 0.09 N ATOM 838 CA HIS A 144 4.387 -1.254 5.835 1.00 0.10 C ATOM 839 C HIS A 144 4.316 -2.651 6.404 1.00 0.10 C ATOM 840 O HIS A 144 3.770 -2.849 7.485 1.00 0.11 O ATOM 841 CB HIS A 144 4.853 -0.295 6.921 1.00 0.12 C ATOM 842 CG HIS A 144 5.823 0.718 6.431 1.00 0.14 C ATOM 843 ND1 HIS A 144 6.745 1.331 7.247 1.00 0.18 N ATOM 844 CD2 HIS A 144 6.027 1.206 5.192 1.00 0.17 C ATOM 845 CE1 HIS A 144 7.479 2.157 6.532 1.00 0.21 C ATOM 846 NE2 HIS A 144 7.062 2.109 5.279 1.00 0.21 N ATOM 0 H HIS A 144 2.409 -0.626 6.074 1.00 0.09 H new ATOM 0 HA HIS A 144 5.096 -1.218 5.008 1.00 0.10 H new ATOM 0 HB2 HIS A 144 3.987 0.215 7.342 1.00 0.12 H new ATOM 0 HB3 HIS A 144 5.311 -0.866 7.729 1.00 0.12 H new ATOM 0 HD2 HIS A 144 5.481 0.939 4.299 1.00 0.17 H new ATOM 0 HE1 HIS A 144 8.286 2.770 6.906 1.00 0.21 H new ATOM 0 HE2 HIS A 144 7.444 2.652 4.504 1.00 0.21 H new ATOM 855 N PHE A 145 4.857 -3.615 5.693 1.00 0.10 N ATOM 856 CA PHE A 145 4.832 -4.980 6.170 1.00 0.10 C ATOM 857 C PHE A 145 6.022 -5.271 7.050 1.00 0.13 C ATOM 858 O PHE A 145 7.141 -4.832 6.780 1.00 0.17 O ATOM 859 CB PHE A 145 4.765 -5.980 5.021 1.00 0.10 C ATOM 860 CG PHE A 145 3.369 -6.253 4.549 1.00 0.09 C ATOM 861 CD1 PHE A 145 2.498 -7.002 5.315 1.00 0.10 C ATOM 862 CD2 PHE A 145 2.927 -5.746 3.339 1.00 0.09 C ATOM 863 CE1 PHE A 145 1.210 -7.244 4.882 1.00 0.11 C ATOM 864 CE2 PHE A 145 1.639 -5.982 2.902 1.00 0.10 C ATOM 865 CZ PHE A 145 0.790 -6.785 3.674 1.00 0.10 C ATOM 0 H PHE A 145 5.315 -3.482 4.792 1.00 0.10 H new ATOM 0 HA PHE A 145 3.926 -5.093 6.765 1.00 0.10 H new ATOM 0 HB2 PHE A 145 5.355 -5.603 4.186 1.00 0.10 H new ATOM 0 HB3 PHE A 145 5.223 -6.917 5.338 1.00 0.10 H new ATOM 0 HD1 PHE A 145 2.828 -7.402 6.262 1.00 0.10 H new ATOM 0 HD2 PHE A 145 3.598 -5.159 2.730 1.00 0.09 H new ATOM 0 HE1 PHE A 145 0.530 -7.803 5.508 1.00 0.11 H new ATOM 0 HE2 PHE A 145 1.290 -5.552 1.975 1.00 0.10 H new ATOM 0 HZ PHE A 145 -0.195 -7.038 3.310 1.00 0.10 H new ATOM 875 N GLU A 146 5.737 -5.992 8.119 1.00 0.13 N ATOM 876 CA GLU A 146 6.741 -6.425 9.091 1.00 0.17 C ATOM 877 C GLU A 146 7.932 -7.055 8.389 1.00 0.19 C ATOM 878 O GLU A 146 9.086 -6.852 8.768 1.00 0.22 O ATOM 879 CB GLU A 146 6.119 -7.443 10.046 1.00 0.22 C ATOM 880 CG GLU A 146 7.060 -7.955 11.121 1.00 0.30 C ATOM 881 CD GLU A 146 6.437 -9.067 11.932 1.00 0.37 C ATOM 882 OE1 GLU A 146 6.485 -10.233 11.484 1.00 0.57 O ATOM 883 OE2 GLU A 146 5.881 -8.777 13.011 1.00 0.38 O ATOM 0 H GLU A 146 4.791 -6.301 8.345 1.00 0.13 H new ATOM 0 HA GLU A 146 7.085 -5.553 9.648 1.00 0.17 H new ATOM 0 HB2 GLU A 146 5.252 -6.989 10.526 1.00 0.22 H new ATOM 0 HB3 GLU A 146 5.755 -8.291 9.466 1.00 0.22 H new ATOM 0 HG2 GLU A 146 7.979 -8.314 10.658 1.00 0.30 H new ATOM 0 HG3 GLU A 146 7.336 -7.134 11.783 1.00 0.30 H new ATOM 890 N THR A 147 7.628 -7.816 7.362 1.00 0.22 N ATOM 891 CA THR A 147 8.644 -8.495 6.589 1.00 0.26 C ATOM 892 C THR A 147 8.512 -8.153 5.108 1.00 0.23 C ATOM 893 O THR A 147 7.420 -7.841 4.623 1.00 0.21 O ATOM 894 CB THR A 147 8.558 -10.020 6.776 1.00 0.33 C ATOM 895 OG1 THR A 147 7.229 -10.476 6.486 1.00 0.40 O ATOM 896 CG2 THR A 147 8.936 -10.421 8.193 1.00 0.35 C ATOM 0 H THR A 147 6.674 -7.981 7.040 1.00 0.22 H new ATOM 0 HA THR A 147 9.614 -8.154 6.950 1.00 0.26 H new ATOM 0 HB THR A 147 9.263 -10.484 6.086 1.00 0.33 H new ATOM 0 HG1 THR A 147 7.183 -11.448 6.606 1.00 0.40 H new ATOM 0 HG21 THR A 147 8.866 -11.504 8.296 1.00 0.35 H new ATOM 0 HG22 THR A 147 9.957 -10.102 8.401 1.00 0.35 H new ATOM 0 HG23 THR A 147 8.256 -9.945 8.899 1.00 0.35 H new ATOM 904 N GLN A 148 9.627 -8.217 4.398 1.00 0.24 N ATOM 905 CA GLN A 148 9.670 -7.874 2.984 1.00 0.23 C ATOM 906 C GLN A 148 8.865 -8.883 2.148 1.00 0.21 C ATOM 907 O GLN A 148 8.276 -8.523 1.126 1.00 0.21 O ATOM 908 CB GLN A 148 11.138 -7.825 2.529 1.00 0.28 C ATOM 909 CG GLN A 148 11.357 -7.221 1.151 1.00 0.31 C ATOM 910 CD GLN A 148 10.740 -5.844 1.003 1.00 0.34 C ATOM 911 OE1 GLN A 148 11.360 -4.825 1.292 1.00 0.47 O ATOM 912 NE2 GLN A 148 9.504 -5.813 0.555 1.00 0.38 N ATOM 0 H GLN A 148 10.526 -8.507 4.783 1.00 0.24 H new ATOM 0 HA GLN A 148 9.213 -6.896 2.834 1.00 0.23 H new ATOM 0 HB2 GLN A 148 11.711 -7.251 3.257 1.00 0.28 H new ATOM 0 HB3 GLN A 148 11.540 -8.838 2.535 1.00 0.28 H new ATOM 0 HG2 GLN A 148 12.427 -7.157 0.954 1.00 0.31 H new ATOM 0 HG3 GLN A 148 10.934 -7.886 0.398 1.00 0.31 H new ATOM 0 HE21 GLN A 148 9.023 -6.683 0.326 1.00 0.38 H new ATOM 0 HE22 GLN A 148 9.027 -4.919 0.437 1.00 0.38 H new ATOM 921 N GLU A 149 8.822 -10.134 2.608 1.00 0.22 N ATOM 922 CA GLU A 149 8.124 -11.209 1.890 1.00 0.22 C ATOM 923 C GLU A 149 6.602 -11.027 1.920 1.00 0.18 C ATOM 924 O GLU A 149 5.914 -11.342 0.947 1.00 0.17 O ATOM 925 CB GLU A 149 8.517 -12.580 2.453 1.00 0.28 C ATOM 926 CG GLU A 149 8.039 -12.810 3.866 1.00 0.35 C ATOM 927 CD GLU A 149 8.377 -14.187 4.400 1.00 0.47 C ATOM 928 OE1 GLU A 149 9.578 -14.502 4.534 1.00 0.62 O ATOM 929 OE2 GLU A 149 7.446 -14.975 4.665 1.00 0.74 O ATOM 0 H GLU A 149 9.263 -10.432 3.478 1.00 0.22 H new ATOM 0 HA GLU A 149 8.435 -11.157 0.847 1.00 0.22 H new ATOM 0 HB2 GLU A 149 8.109 -13.359 1.809 1.00 0.28 H new ATOM 0 HB3 GLU A 149 9.602 -12.678 2.424 1.00 0.28 H new ATOM 0 HG2 GLU A 149 8.481 -12.057 4.518 1.00 0.35 H new ATOM 0 HG3 GLU A 149 6.959 -12.669 3.904 1.00 0.35 H new ATOM 936 N ALA A 150 6.081 -10.508 3.027 1.00 0.17 N ATOM 937 CA ALA A 150 4.642 -10.311 3.179 1.00 0.15 C ATOM 938 C ALA A 150 4.130 -9.284 2.177 1.00 0.13 C ATOM 939 O ALA A 150 3.017 -9.398 1.661 1.00 0.13 O ATOM 940 CB ALA A 150 4.325 -9.875 4.599 1.00 0.18 C ATOM 0 H ALA A 150 6.633 -10.216 3.833 1.00 0.17 H new ATOM 0 HA ALA A 150 4.138 -11.257 2.981 1.00 0.15 H new ATOM 0 HB1 ALA A 150 3.250 -9.730 4.704 1.00 0.18 H new ATOM 0 HB2 ALA A 150 4.658 -10.642 5.298 1.00 0.18 H new ATOM 0 HB3 ALA A 150 4.840 -8.939 4.816 1.00 0.18 H new ATOM 946 N ALA A 151 4.965 -8.295 1.897 1.00 0.13 N ATOM 947 CA ALA A 151 4.622 -7.233 0.964 1.00 0.13 C ATOM 948 C ALA A 151 4.425 -7.777 -0.442 1.00 0.12 C ATOM 949 O ALA A 151 3.470 -7.413 -1.129 1.00 0.13 O ATOM 950 CB ALA A 151 5.708 -6.179 0.977 1.00 0.16 C ATOM 0 H ALA A 151 5.894 -8.206 2.308 1.00 0.13 H new ATOM 0 HA ALA A 151 3.679 -6.785 1.278 1.00 0.13 H new ATOM 0 HB1 ALA A 151 5.451 -5.383 0.278 1.00 0.16 H new ATOM 0 HB2 ALA A 151 5.801 -5.764 1.981 1.00 0.16 H new ATOM 0 HB3 ALA A 151 6.656 -6.629 0.682 1.00 0.16 H new ATOM 956 N GLU A 152 5.326 -8.660 -0.858 1.00 0.13 N ATOM 957 CA GLU A 152 5.247 -9.272 -2.177 1.00 0.14 C ATOM 958 C GLU A 152 3.927 -10.016 -2.346 1.00 0.12 C ATOM 959 O GLU A 152 3.293 -9.929 -3.398 1.00 0.15 O ATOM 960 CB GLU A 152 6.418 -10.231 -2.394 1.00 0.18 C ATOM 961 CG GLU A 152 7.775 -9.598 -2.138 1.00 0.26 C ATOM 962 CD GLU A 152 8.922 -10.495 -2.545 1.00 0.75 C ATOM 963 OE1 GLU A 152 9.239 -11.439 -1.792 1.00 1.42 O ATOM 964 OE2 GLU A 152 9.508 -10.268 -3.623 1.00 0.95 O ATOM 0 H GLU A 152 6.121 -8.968 -0.298 1.00 0.13 H new ATOM 0 HA GLU A 152 5.299 -8.479 -2.923 1.00 0.14 H new ATOM 0 HB2 GLU A 152 6.298 -11.093 -1.737 1.00 0.18 H new ATOM 0 HB3 GLU A 152 6.387 -10.604 -3.418 1.00 0.18 H new ATOM 0 HG2 GLU A 152 7.842 -8.658 -2.685 1.00 0.26 H new ATOM 0 HG3 GLU A 152 7.865 -9.357 -1.079 1.00 0.26 H new ATOM 971 N ARG A 153 3.515 -10.732 -1.299 1.00 0.10 N ATOM 972 CA ARG A 153 2.240 -11.446 -1.309 1.00 0.12 C ATOM 973 C ARG A 153 1.070 -10.486 -1.481 1.00 0.11 C ATOM 974 O ARG A 153 0.152 -10.746 -2.255 1.00 0.16 O ATOM 975 CB ARG A 153 2.040 -12.232 -0.022 1.00 0.16 C ATOM 976 CG ARG A 153 3.065 -13.323 0.199 1.00 0.21 C ATOM 977 CD ARG A 153 2.828 -14.028 1.520 1.00 0.26 C ATOM 978 NE ARG A 153 3.869 -15.003 1.800 1.00 0.38 N ATOM 979 CZ ARG A 153 4.704 -14.919 2.830 1.00 0.80 C ATOM 980 NH1 ARG A 153 4.581 -13.932 3.714 1.00 1.48 N ATOM 981 NH2 ARG A 153 5.652 -15.826 2.990 1.00 0.84 N ATOM 0 H ARG A 153 4.046 -10.832 -0.434 1.00 0.10 H new ATOM 0 HA ARG A 153 2.271 -12.134 -2.154 1.00 0.12 H new ATOM 0 HB2 ARG A 153 2.071 -11.542 0.821 1.00 0.16 H new ATOM 0 HB3 ARG A 153 1.046 -12.679 -0.032 1.00 0.16 H new ATOM 0 HG2 ARG A 153 3.016 -14.044 -0.617 1.00 0.21 H new ATOM 0 HG3 ARG A 153 4.067 -12.894 0.186 1.00 0.21 H new ATOM 0 HD2 ARG A 153 2.791 -13.293 2.324 1.00 0.26 H new ATOM 0 HD3 ARG A 153 1.859 -14.526 1.499 1.00 0.26 H new ATOM 0 HE ARG A 153 3.964 -15.798 1.169 1.00 0.38 H new ATOM 0 HH11 ARG A 153 3.844 -13.236 3.602 1.00 1.48 H new ATOM 0 HH12 ARG A 153 5.224 -13.871 4.503 1.00 1.48 H new ATOM 0 HH21 ARG A 153 5.743 -16.592 2.322 1.00 0.84 H new ATOM 0 HH22 ARG A 153 6.292 -15.760 3.781 1.00 0.84 H new ATOM 995 N ALA A 154 1.104 -9.380 -0.752 1.00 0.09 N ATOM 996 CA ALA A 154 0.039 -8.392 -0.833 1.00 0.09 C ATOM 997 C ALA A 154 -0.058 -7.819 -2.240 1.00 0.09 C ATOM 998 O ALA A 154 -1.149 -7.568 -2.741 1.00 0.10 O ATOM 999 CB ALA A 154 0.255 -7.285 0.183 1.00 0.10 C ATOM 0 H ALA A 154 1.853 -9.145 -0.101 1.00 0.09 H new ATOM 0 HA ALA A 154 -0.904 -8.888 -0.601 1.00 0.09 H new ATOM 0 HB1 ALA A 154 -0.553 -6.557 0.105 1.00 0.10 H new ATOM 0 HB2 ALA A 154 0.266 -7.709 1.187 1.00 0.10 H new ATOM 0 HB3 ALA A 154 1.207 -6.792 -0.013 1.00 0.10 H new ATOM 1005 N ILE A 155 1.088 -7.629 -2.879 1.00 0.09 N ATOM 1006 CA ILE A 155 1.125 -7.124 -4.244 1.00 0.10 C ATOM 1007 C ILE A 155 0.431 -8.087 -5.205 1.00 0.11 C ATOM 1008 O ILE A 155 -0.498 -7.704 -5.907 1.00 0.14 O ATOM 1009 CB ILE A 155 2.574 -6.890 -4.717 1.00 0.11 C ATOM 1010 CG1 ILE A 155 3.244 -5.827 -3.846 1.00 0.12 C ATOM 1011 CG2 ILE A 155 2.603 -6.476 -6.182 1.00 0.14 C ATOM 1012 CD1 ILE A 155 4.705 -5.613 -4.165 1.00 0.15 C ATOM 0 H ILE A 155 2.005 -7.817 -2.474 1.00 0.09 H new ATOM 0 HA ILE A 155 0.595 -6.172 -4.246 1.00 0.10 H new ATOM 0 HB ILE A 155 3.127 -7.824 -4.619 1.00 0.11 H new ATOM 0 HG12 ILE A 155 2.713 -4.883 -3.967 1.00 0.12 H new ATOM 0 HG13 ILE A 155 3.148 -6.115 -2.799 1.00 0.12 H new ATOM 0 HG21 ILE A 155 3.635 -6.316 -6.495 1.00 0.14 H new ATOM 0 HG22 ILE A 155 2.157 -7.262 -6.791 1.00 0.14 H new ATOM 0 HG23 ILE A 155 2.038 -5.553 -6.310 1.00 0.14 H new ATOM 0 HD11 ILE A 155 5.112 -4.845 -3.507 1.00 0.15 H new ATOM 0 HD12 ILE A 155 5.250 -6.545 -4.016 1.00 0.15 H new ATOM 0 HD13 ILE A 155 4.808 -5.294 -5.202 1.00 0.15 H new ATOM 1024 N GLU A 156 0.858 -9.343 -5.201 1.00 0.11 N ATOM 1025 CA GLU A 156 0.302 -10.338 -6.113 1.00 0.13 C ATOM 1026 C GLU A 156 -1.177 -10.568 -5.863 1.00 0.12 C ATOM 1027 O GLU A 156 -1.961 -10.725 -6.799 1.00 0.15 O ATOM 1028 CB GLU A 156 1.034 -11.685 -6.017 1.00 0.17 C ATOM 1029 CG GLU A 156 1.512 -12.060 -4.624 1.00 0.21 C ATOM 1030 CD GLU A 156 2.012 -13.483 -4.539 1.00 0.62 C ATOM 1031 OE1 GLU A 156 1.204 -14.412 -4.733 1.00 1.08 O ATOM 1032 OE2 GLU A 156 3.220 -13.682 -4.287 1.00 0.63 O ATOM 0 H GLU A 156 1.585 -9.698 -4.579 1.00 0.11 H new ATOM 0 HA GLU A 156 0.440 -9.930 -7.114 1.00 0.13 H new ATOM 0 HB2 GLU A 156 0.369 -12.469 -6.380 1.00 0.17 H new ATOM 0 HB3 GLU A 156 1.894 -11.662 -6.686 1.00 0.17 H new ATOM 0 HG2 GLU A 156 2.310 -11.381 -4.324 1.00 0.21 H new ATOM 0 HG3 GLU A 156 0.695 -11.924 -3.916 1.00 0.21 H new ATOM 1039 N LYS A 157 -1.544 -10.599 -4.602 1.00 0.09 N ATOM 1040 CA LYS A 157 -2.888 -10.962 -4.214 1.00 0.10 C ATOM 1041 C LYS A 157 -3.872 -9.794 -4.314 1.00 0.08 C ATOM 1042 O LYS A 157 -5.014 -9.977 -4.732 1.00 0.10 O ATOM 1043 CB LYS A 157 -2.872 -11.515 -2.791 1.00 0.12 C ATOM 1044 CG LYS A 157 -3.632 -12.823 -2.655 1.00 0.17 C ATOM 1045 CD LYS A 157 -5.088 -12.676 -3.081 1.00 0.21 C ATOM 1046 CE LYS A 157 -6.007 -12.315 -1.921 1.00 0.29 C ATOM 1047 NZ LYS A 157 -6.052 -13.382 -0.884 1.00 1.16 N ATOM 0 H LYS A 157 -0.925 -10.375 -3.822 1.00 0.09 H new ATOM 0 HA LYS A 157 -3.235 -11.723 -4.912 1.00 0.10 H new ATOM 0 HB2 LYS A 157 -1.839 -11.667 -2.478 1.00 0.12 H new ATOM 0 HB3 LYS A 157 -3.305 -10.777 -2.115 1.00 0.12 H new ATOM 0 HG2 LYS A 157 -3.150 -13.589 -3.263 1.00 0.17 H new ATOM 0 HG3 LYS A 157 -3.588 -13.164 -1.620 1.00 0.17 H new ATOM 0 HD2 LYS A 157 -5.161 -11.907 -3.850 1.00 0.21 H new ATOM 0 HD3 LYS A 157 -5.427 -13.609 -3.530 1.00 0.21 H new ATOM 0 HE2 LYS A 157 -5.667 -11.384 -1.467 1.00 0.29 H new ATOM 0 HE3 LYS A 157 -7.013 -12.136 -2.299 1.00 0.29 H new ATOM 0 HZ1 LYS A 157 -7.031 -13.714 -0.770 1.00 1.16 H new ATOM 0 HZ2 LYS A 157 -5.449 -14.177 -1.177 1.00 1.16 H new ATOM 0 HZ3 LYS A 157 -5.708 -13.002 0.021 1.00 1.16 H new ATOM 1061 N MET A 158 -3.434 -8.600 -3.952 1.00 0.07 N ATOM 1062 CA MET A 158 -4.349 -7.462 -3.878 1.00 0.08 C ATOM 1063 C MET A 158 -4.382 -6.656 -5.166 1.00 0.09 C ATOM 1064 O MET A 158 -5.386 -6.005 -5.456 1.00 0.13 O ATOM 1065 CB MET A 158 -4.003 -6.541 -2.708 1.00 0.09 C ATOM 1066 CG MET A 158 -4.172 -7.202 -1.354 1.00 0.10 C ATOM 1067 SD MET A 158 -5.840 -7.834 -1.097 1.00 0.35 S ATOM 1068 CE MET A 158 -6.801 -6.338 -1.304 1.00 0.18 C ATOM 0 H MET A 158 -2.466 -8.390 -3.707 1.00 0.07 H new ATOM 0 HA MET A 158 -5.341 -7.885 -3.719 1.00 0.08 H new ATOM 0 HB2 MET A 158 -2.972 -6.203 -2.813 1.00 0.09 H new ATOM 0 HB3 MET A 158 -4.635 -5.654 -2.753 1.00 0.09 H new ATOM 0 HG2 MET A 158 -3.459 -8.021 -1.262 1.00 0.10 H new ATOM 0 HG3 MET A 158 -3.935 -6.483 -0.570 1.00 0.10 H new ATOM 0 HE1 MET A 158 -7.846 -6.541 -1.070 1.00 0.18 H new ATOM 0 HE2 MET A 158 -6.422 -5.567 -0.633 1.00 0.18 H new ATOM 0 HE3 MET A 158 -6.721 -5.994 -2.335 1.00 0.18 H new ATOM 1078 N ASN A 159 -3.301 -6.677 -5.934 1.00 0.09 N ATOM 1079 CA ASN A 159 -3.279 -5.934 -7.184 1.00 0.10 C ATOM 1080 C ASN A 159 -4.307 -6.524 -8.141 1.00 0.13 C ATOM 1081 O ASN A 159 -4.270 -7.718 -8.446 1.00 0.16 O ATOM 1082 CB ASN A 159 -1.887 -5.972 -7.822 1.00 0.14 C ATOM 1083 CG ASN A 159 -1.793 -5.108 -9.071 1.00 0.16 C ATOM 1084 OD1 ASN A 159 -2.565 -4.163 -9.245 1.00 0.44 O ATOM 1085 ND2 ASN A 159 -0.823 -5.398 -9.929 1.00 0.38 N ATOM 0 H ASN A 159 -2.445 -7.189 -5.719 1.00 0.09 H new ATOM 0 HA ASN A 159 -3.526 -4.893 -6.975 1.00 0.10 H new ATOM 0 HB2 ASN A 159 -1.149 -5.635 -7.095 1.00 0.14 H new ATOM 0 HB3 ASN A 159 -1.636 -7.002 -8.077 1.00 0.14 H new ATOM 0 HD21 ASN A 159 -0.697 -4.830 -10.767 1.00 0.38 H new ATOM 0 HD22 ASN A 159 -0.204 -6.189 -9.750 1.00 0.38 H new ATOM 1092 N GLY A 160 -5.225 -5.692 -8.606 1.00 0.14 N ATOM 1093 CA GLY A 160 -6.255 -6.160 -9.510 1.00 0.19 C ATOM 1094 C GLY A 160 -7.461 -6.718 -8.779 1.00 0.22 C ATOM 1095 O GLY A 160 -8.244 -7.478 -9.349 1.00 0.29 O ATOM 0 H GLY A 160 -5.276 -4.700 -8.374 1.00 0.14 H new ATOM 0 HA2 GLY A 160 -6.572 -5.338 -10.151 1.00 0.19 H new ATOM 0 HA3 GLY A 160 -5.840 -6.930 -10.160 1.00 0.19 H new ATOM 1099 N MET A 161 -7.606 -6.356 -7.512 1.00 0.22 N ATOM 1100 CA MET A 161 -8.761 -6.770 -6.728 1.00 0.27 C ATOM 1101 C MET A 161 -9.729 -5.617 -6.542 1.00 0.24 C ATOM 1102 O MET A 161 -9.337 -4.456 -6.609 1.00 0.23 O ATOM 1103 CB MET A 161 -8.320 -7.301 -5.371 1.00 0.32 C ATOM 1104 CG MET A 161 -8.190 -8.809 -5.348 1.00 0.68 C ATOM 1105 SD MET A 161 -9.769 -9.626 -5.649 1.00 1.18 S ATOM 1106 CE MET A 161 -9.211 -11.131 -6.436 1.00 1.04 C ATOM 0 H MET A 161 -6.938 -5.776 -7.005 1.00 0.22 H new ATOM 0 HA MET A 161 -9.270 -7.566 -7.272 1.00 0.27 H new ATOM 0 HB2 MET A 161 -7.362 -6.854 -5.104 1.00 0.32 H new ATOM 0 HB3 MET A 161 -9.039 -6.991 -4.613 1.00 0.32 H new ATOM 0 HG2 MET A 161 -7.469 -9.123 -6.103 1.00 0.68 H new ATOM 0 HG3 MET A 161 -7.797 -9.125 -4.382 1.00 0.68 H new ATOM 0 HE1 MET A 161 -10.072 -11.751 -6.687 1.00 1.04 H new ATOM 0 HE2 MET A 161 -8.664 -10.884 -7.346 1.00 1.04 H new ATOM 0 HE3 MET A 161 -8.557 -11.676 -5.756 1.00 1.04 H new ATOM 1116 N LEU A 162 -10.988 -5.945 -6.294 1.00 0.26 N ATOM 1117 CA LEU A 162 -12.012 -4.938 -6.094 1.00 0.26 C ATOM 1118 C LEU A 162 -12.234 -4.735 -4.620 1.00 0.28 C ATOM 1119 O LEU A 162 -12.952 -5.508 -3.987 1.00 0.44 O ATOM 1120 CB LEU A 162 -13.349 -5.334 -6.725 1.00 0.31 C ATOM 1121 CG LEU A 162 -13.512 -5.059 -8.215 1.00 0.34 C ATOM 1122 CD1 LEU A 162 -14.922 -5.404 -8.638 1.00 0.42 C ATOM 1123 CD2 LEU A 162 -13.233 -3.604 -8.533 1.00 0.34 C ATOM 0 H LEU A 162 -11.323 -6.906 -6.227 1.00 0.26 H new ATOM 0 HA LEU A 162 -11.660 -4.025 -6.574 1.00 0.26 H new ATOM 0 HB2 LEU A 162 -13.502 -6.400 -6.557 1.00 0.31 H new ATOM 0 HB3 LEU A 162 -14.144 -4.811 -6.194 1.00 0.31 H new ATOM 0 HG LEU A 162 -12.796 -5.675 -8.760 1.00 0.34 H new ATOM 0 HD11 LEU A 162 -15.040 -5.208 -9.704 1.00 0.42 H new ATOM 0 HD12 LEU A 162 -15.114 -6.459 -8.440 1.00 0.42 H new ATOM 0 HD13 LEU A 162 -15.630 -4.795 -8.076 1.00 0.42 H new ATOM 0 HD21 LEU A 162 -13.356 -3.435 -9.603 1.00 0.34 H new ATOM 0 HD22 LEU A 162 -13.930 -2.971 -7.983 1.00 0.34 H new ATOM 0 HD23 LEU A 162 -12.212 -3.357 -8.242 1.00 0.34 H new ATOM 1135 N LEU A 163 -11.614 -3.726 -4.062 1.00 0.25 N ATOM 1136 CA LEU A 163 -11.879 -3.407 -2.689 1.00 0.33 C ATOM 1137 C LEU A 163 -13.150 -2.585 -2.608 1.00 0.45 C ATOM 1138 O LEU A 163 -13.171 -1.413 -2.996 1.00 1.02 O ATOM 1139 CB LEU A 163 -10.700 -2.683 -2.036 1.00 0.29 C ATOM 1140 CG LEU A 163 -9.593 -3.607 -1.525 1.00 0.31 C ATOM 1141 CD1 LEU A 163 -8.444 -2.803 -0.943 1.00 0.31 C ATOM 1142 CD2 LEU A 163 -10.151 -4.565 -0.482 1.00 0.34 C ATOM 0 H LEU A 163 -10.936 -3.124 -4.529 1.00 0.25 H new ATOM 0 HA LEU A 163 -12.016 -4.334 -2.132 1.00 0.33 H new ATOM 0 HB2 LEU A 163 -10.271 -1.988 -2.758 1.00 0.29 H new ATOM 0 HB3 LEU A 163 -11.072 -2.087 -1.203 1.00 0.29 H new ATOM 0 HG LEU A 163 -9.211 -4.185 -2.367 1.00 0.31 H new ATOM 0 HD11 LEU A 163 -7.669 -3.482 -0.586 1.00 0.31 H new ATOM 0 HD12 LEU A 163 -8.030 -2.151 -1.712 1.00 0.31 H new ATOM 0 HD13 LEU A 163 -8.807 -2.198 -0.112 1.00 0.31 H new ATOM 0 HD21 LEU A 163 -9.355 -5.218 -0.125 1.00 0.34 H new ATOM 0 HD22 LEU A 163 -10.556 -3.996 0.355 1.00 0.34 H new ATOM 0 HD23 LEU A 163 -10.942 -5.168 -0.928 1.00 0.34 H new ATOM 1154 N ASN A 164 -14.216 -3.242 -2.160 1.00 0.41 N ATOM 1155 CA ASN A 164 -15.544 -2.641 -2.056 1.00 0.42 C ATOM 1156 C ASN A 164 -16.202 -2.479 -3.418 1.00 0.45 C ATOM 1157 O ASN A 164 -17.189 -3.144 -3.732 1.00 0.72 O ATOM 1158 CB ASN A 164 -15.493 -1.307 -1.295 1.00 0.49 C ATOM 1159 CG ASN A 164 -15.355 -1.506 0.202 1.00 1.06 C ATOM 1160 OD1 ASN A 164 -15.767 -2.532 0.742 1.00 1.71 O ATOM 1161 ND2 ASN A 164 -14.806 -0.516 0.886 1.00 1.07 N ATOM 0 H ASN A 164 -14.183 -4.215 -1.856 1.00 0.41 H new ATOM 0 HA ASN A 164 -16.165 -3.328 -1.481 1.00 0.42 H new ATOM 0 HB2 ASN A 164 -14.654 -0.714 -1.660 1.00 0.49 H new ATOM 0 HB3 ASN A 164 -16.399 -0.738 -1.502 1.00 0.49 H new ATOM 0 HD21 ASN A 164 -14.712 -0.587 1.899 1.00 1.07 H new ATOM 0 HD22 ASN A 164 -14.477 0.318 0.400 1.00 1.07 H new ATOM 1168 N ASP A 165 -15.636 -1.622 -4.226 1.00 0.42 N ATOM 1169 CA ASP A 165 -16.186 -1.315 -5.540 1.00 0.44 C ATOM 1170 C ASP A 165 -15.114 -0.777 -6.490 1.00 0.43 C ATOM 1171 O ASP A 165 -15.405 -0.387 -7.618 1.00 0.65 O ATOM 1172 CB ASP A 165 -17.330 -0.300 -5.392 1.00 0.55 C ATOM 1173 CG ASP A 165 -17.994 0.071 -6.708 1.00 0.71 C ATOM 1174 OD1 ASP A 165 -18.651 -0.802 -7.317 1.00 0.82 O ATOM 1175 OD2 ASP A 165 -17.854 1.231 -7.148 1.00 0.85 O ATOM 0 H ASP A 165 -14.781 -1.112 -4.002 1.00 0.42 H new ATOM 0 HA ASP A 165 -16.570 -2.238 -5.974 1.00 0.44 H new ATOM 0 HB2 ASP A 165 -18.083 -0.710 -4.719 1.00 0.55 H new ATOM 0 HB3 ASP A 165 -16.942 0.605 -4.923 1.00 0.55 H new ATOM 1180 N ARG A 166 -13.865 -0.797 -6.062 1.00 0.32 N ATOM 1181 CA ARG A 166 -12.806 -0.165 -6.832 1.00 0.27 C ATOM 1182 C ARG A 166 -11.602 -1.083 -6.921 1.00 0.24 C ATOM 1183 O ARG A 166 -11.129 -1.603 -5.909 1.00 0.24 O ATOM 1184 CB ARG A 166 -12.416 1.174 -6.205 1.00 0.24 C ATOM 1185 CG ARG A 166 -13.580 2.145 -6.081 1.00 0.27 C ATOM 1186 CD ARG A 166 -13.143 3.475 -5.499 1.00 0.27 C ATOM 1187 NE ARG A 166 -14.279 4.359 -5.234 1.00 0.42 N ATOM 1188 CZ ARG A 166 -14.165 5.647 -4.903 1.00 0.58 C ATOM 1189 NH1 ARG A 166 -12.966 6.217 -4.843 1.00 0.96 N ATOM 1190 NH2 ARG A 166 -15.252 6.367 -4.650 1.00 0.70 N ATOM 0 H ARG A 166 -13.560 -1.239 -5.195 1.00 0.32 H new ATOM 0 HA ARG A 166 -13.173 0.023 -7.841 1.00 0.27 H new ATOM 0 HB2 ARG A 166 -11.995 0.995 -5.216 1.00 0.24 H new ATOM 0 HB3 ARG A 166 -11.632 1.634 -6.806 1.00 0.24 H new ATOM 0 HG2 ARG A 166 -14.025 2.306 -7.063 1.00 0.27 H new ATOM 0 HG3 ARG A 166 -14.353 1.708 -5.449 1.00 0.27 H new ATOM 0 HD2 ARG A 166 -12.595 3.302 -4.573 1.00 0.27 H new ATOM 0 HD3 ARG A 166 -12.456 3.965 -6.190 1.00 0.27 H new ATOM 0 HE ARG A 166 -15.217 3.966 -5.307 1.00 0.42 H new ATOM 0 HH11 ARG A 166 -12.130 5.670 -5.050 1.00 0.96 H new ATOM 0 HH12 ARG A 166 -12.881 7.201 -4.590 1.00 0.96 H new ATOM 0 HH21 ARG A 166 -16.174 5.936 -4.709 1.00 0.70 H new ATOM 0 HH22 ARG A 166 -15.164 7.351 -4.397 1.00 0.70 H new ATOM 1204 N LYS A 167 -11.131 -1.301 -8.140 1.00 0.22 N ATOM 1205 CA LYS A 167 -10.011 -2.191 -8.375 1.00 0.20 C ATOM 1206 C LYS A 167 -8.723 -1.496 -7.985 1.00 0.17 C ATOM 1207 O LYS A 167 -8.367 -0.466 -8.559 1.00 0.22 O ATOM 1208 CB LYS A 167 -9.973 -2.611 -9.848 1.00 0.23 C ATOM 1209 CG LYS A 167 -9.730 -4.099 -10.052 1.00 0.40 C ATOM 1210 CD LYS A 167 -9.943 -4.502 -11.502 1.00 0.47 C ATOM 1211 CE LYS A 167 -10.097 -6.008 -11.641 1.00 0.53 C ATOM 1212 NZ LYS A 167 -10.290 -6.420 -13.056 1.00 1.00 N ATOM 0 H LYS A 167 -11.511 -0.870 -8.983 1.00 0.22 H new ATOM 0 HA LYS A 167 -10.126 -3.088 -7.767 1.00 0.20 H new ATOM 0 HB2 LYS A 167 -10.917 -2.338 -10.319 1.00 0.23 H new ATOM 0 HB3 LYS A 167 -9.189 -2.050 -10.357 1.00 0.23 H new ATOM 0 HG2 LYS A 167 -8.713 -4.348 -9.749 1.00 0.40 H new ATOM 0 HG3 LYS A 167 -10.402 -4.670 -9.412 1.00 0.40 H new ATOM 0 HD2 LYS A 167 -10.832 -4.006 -11.892 1.00 0.47 H new ATOM 0 HD3 LYS A 167 -9.099 -4.164 -12.103 1.00 0.47 H new ATOM 0 HE2 LYS A 167 -9.213 -6.502 -11.237 1.00 0.53 H new ATOM 0 HE3 LYS A 167 -10.948 -6.342 -11.047 1.00 0.53 H new ATOM 0 HZ1 LYS A 167 -10.391 -7.454 -13.106 1.00 1.00 H new ATOM 0 HZ2 LYS A 167 -11.148 -5.970 -13.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 167 -9.467 -6.125 -13.619 1.00 1.00 H new ATOM 1226 N VAL A 168 -8.010 -2.068 -7.036 1.00 0.13 N ATOM 1227 CA VAL A 168 -6.850 -1.407 -6.480 1.00 0.12 C ATOM 1228 C VAL A 168 -5.569 -1.955 -7.068 1.00 0.11 C ATOM 1229 O VAL A 168 -5.459 -3.145 -7.378 1.00 0.13 O ATOM 1230 CB VAL A 168 -6.784 -1.521 -4.941 1.00 0.13 C ATOM 1231 CG1 VAL A 168 -7.874 -0.691 -4.289 1.00 0.17 C ATOM 1232 CG2 VAL A 168 -6.874 -2.973 -4.491 1.00 0.13 C ATOM 0 H VAL A 168 -8.213 -2.984 -6.636 1.00 0.13 H new ATOM 0 HA VAL A 168 -6.953 -0.354 -6.743 1.00 0.12 H new ATOM 0 HB VAL A 168 -5.818 -1.129 -4.622 1.00 0.13 H new ATOM 0 HG11 VAL A 168 -7.806 -0.788 -3.205 1.00 0.17 H new ATOM 0 HG12 VAL A 168 -7.751 0.355 -4.568 1.00 0.17 H new ATOM 0 HG13 VAL A 168 -8.849 -1.043 -4.624 1.00 0.17 H new ATOM 0 HG21 VAL A 168 -6.825 -3.020 -3.403 1.00 0.13 H new ATOM 0 HG22 VAL A 168 -7.817 -3.401 -4.831 1.00 0.13 H new ATOM 0 HG23 VAL A 168 -6.045 -3.538 -4.917 1.00 0.13 H new ATOM 1242 N PHE A 169 -4.616 -1.063 -7.237 1.00 0.11 N ATOM 1243 CA PHE A 169 -3.329 -1.405 -7.787 1.00 0.12 C ATOM 1244 C PHE A 169 -2.290 -1.392 -6.680 1.00 0.10 C ATOM 1245 O PHE A 169 -2.081 -0.371 -6.033 1.00 0.12 O ATOM 1246 CB PHE A 169 -2.964 -0.404 -8.889 1.00 0.18 C ATOM 1247 CG PHE A 169 -1.569 -0.554 -9.417 1.00 0.14 C ATOM 1248 CD1 PHE A 169 -1.295 -1.473 -10.413 1.00 0.25 C ATOM 1249 CD2 PHE A 169 -0.536 0.217 -8.916 1.00 0.18 C ATOM 1250 CE1 PHE A 169 -0.014 -1.619 -10.904 1.00 0.30 C ATOM 1251 CE2 PHE A 169 0.750 0.077 -9.403 1.00 0.23 C ATOM 1252 CZ PHE A 169 1.018 -0.821 -10.386 1.00 0.26 C ATOM 0 H PHE A 169 -4.716 -0.077 -6.995 1.00 0.11 H new ATOM 0 HA PHE A 169 -3.361 -2.404 -8.222 1.00 0.12 H new ATOM 0 HB2 PHE A 169 -3.667 -0.517 -9.714 1.00 0.18 H new ATOM 0 HB3 PHE A 169 -3.087 0.607 -8.501 1.00 0.18 H new ATOM 0 HD1 PHE A 169 -2.092 -2.083 -10.811 1.00 0.25 H new ATOM 0 HD2 PHE A 169 -0.736 0.936 -8.136 1.00 0.18 H new ATOM 0 HE1 PHE A 169 0.193 -2.341 -11.680 1.00 0.30 H new ATOM 0 HE2 PHE A 169 1.546 0.685 -9.000 1.00 0.23 H new ATOM 0 HZ PHE A 169 2.023 -0.921 -10.768 1.00 0.26 H new ATOM 1262 N VAL A 170 -1.659 -2.528 -6.455 1.00 0.09 N ATOM 1263 CA VAL A 170 -0.629 -2.632 -5.437 1.00 0.10 C ATOM 1264 C VAL A 170 0.705 -2.942 -6.095 1.00 0.11 C ATOM 1265 O VAL A 170 0.806 -3.859 -6.911 1.00 0.13 O ATOM 1266 CB VAL A 170 -0.944 -3.728 -4.384 1.00 0.10 C ATOM 1267 CG1 VAL A 170 0.094 -3.729 -3.272 1.00 0.11 C ATOM 1268 CG2 VAL A 170 -2.337 -3.561 -3.797 1.00 0.09 C ATOM 0 H VAL A 170 -1.841 -3.393 -6.963 1.00 0.09 H new ATOM 0 HA VAL A 170 -0.590 -1.675 -4.917 1.00 0.10 H new ATOM 0 HB VAL A 170 -0.908 -4.687 -4.900 1.00 0.10 H new ATOM 0 HG11 VAL A 170 -0.150 -4.506 -2.547 1.00 0.11 H new ATOM 0 HG12 VAL A 170 1.080 -3.923 -3.695 1.00 0.11 H new ATOM 0 HG13 VAL A 170 0.097 -2.758 -2.776 1.00 0.11 H new ATOM 0 HG21 VAL A 170 -2.520 -4.347 -3.064 1.00 0.09 H new ATOM 0 HG22 VAL A 170 -2.413 -2.588 -3.312 1.00 0.09 H new ATOM 0 HG23 VAL A 170 -3.078 -3.628 -4.594 1.00 0.09 H new ATOM 1278 N GLY A 171 1.718 -2.160 -5.762 1.00 0.12 N ATOM 1279 CA GLY A 171 3.025 -2.363 -6.340 1.00 0.14 C ATOM 1280 C GLY A 171 4.139 -2.007 -5.382 1.00 0.14 C ATOM 1281 O GLY A 171 3.883 -1.673 -4.223 1.00 0.18 O ATOM 0 H GLY A 171 1.657 -1.387 -5.100 1.00 0.12 H new ATOM 0 HA2 GLY A 171 3.128 -3.405 -6.642 1.00 0.14 H new ATOM 0 HA3 GLY A 171 3.118 -1.759 -7.242 1.00 0.14 H new ATOM 1285 N ARG A 172 5.369 -2.068 -5.871 1.00 0.18 N ATOM 1286 CA ARG A 172 6.542 -1.799 -5.050 1.00 0.19 C ATOM 1287 C ARG A 172 6.626 -0.319 -4.698 1.00 0.22 C ATOM 1288 O ARG A 172 6.722 0.536 -5.579 1.00 0.36 O ATOM 1289 CB ARG A 172 7.814 -2.233 -5.781 1.00 0.23 C ATOM 1290 CG ARG A 172 7.839 -3.706 -6.162 1.00 0.32 C ATOM 1291 CD ARG A 172 8.131 -4.608 -4.970 1.00 0.39 C ATOM 1292 NE ARG A 172 8.050 -6.019 -5.334 1.00 1.03 N ATOM 1293 CZ ARG A 172 8.657 -6.999 -4.668 1.00 1.26 C ATOM 1294 NH1 ARG A 172 9.415 -6.722 -3.612 1.00 1.34 N ATOM 1295 NH2 ARG A 172 8.502 -8.258 -5.057 1.00 1.93 N ATOM 0 H ARG A 172 5.582 -2.303 -6.840 1.00 0.18 H new ATOM 0 HA ARG A 172 6.449 -2.372 -4.127 1.00 0.19 H new ATOM 0 HB2 ARG A 172 7.924 -1.633 -6.684 1.00 0.23 H new ATOM 0 HB3 ARG A 172 8.675 -2.018 -5.149 1.00 0.23 H new ATOM 0 HG2 ARG A 172 6.879 -3.983 -6.597 1.00 0.32 H new ATOM 0 HG3 ARG A 172 8.595 -3.867 -6.930 1.00 0.32 H new ATOM 0 HD2 ARG A 172 9.125 -4.388 -4.581 1.00 0.39 H new ATOM 0 HD3 ARG A 172 7.422 -4.396 -4.170 1.00 0.39 H new ATOM 0 HE ARG A 172 7.493 -6.270 -6.151 1.00 1.03 H new ATOM 0 HH11 ARG A 172 9.534 -5.755 -3.309 1.00 1.34 H new ATOM 0 HH12 ARG A 172 9.878 -7.476 -3.105 1.00 1.34 H new ATOM 0 HH21 ARG A 172 7.918 -8.474 -5.865 1.00 1.93 H new ATOM 0 HH22 ARG A 172 8.966 -9.010 -4.548 1.00 1.93 H new