USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 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 94 SER OG : rot -59:sc= 0.654 USER MOD Set 1.2: A 120 HIS : no HE2:sc= 0.0944 K(o=0.75,f=-6.4!) USER MOD Set 2.1: A 67 MET CE :methyl 179:sc= -1.29 (180deg=-1.29) USER MOD Set 2.2: A 90 SER OG : rot 150:sc= 0 USER MOD Set 3.1: A 72 GLN : amide:sc= 1.02 X(o=1.7,f=1.2) USER MOD Set 3.2: A 81 THR OG1 : rot -125:sc= 0.709 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.346 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 179:sc= -0.121 (180deg=-0.122) USER MOD Single : A 58 GLN : amide:sc= 1.19 K(o=1.2,f=-6.6!) USER MOD Single : A 65 MET CE :methyl -155:sc= -0.195 (180deg=-0.887) USER MOD Single : A 70 SER OG : rot -170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 82:sc= 0.824 USER MOD Single : A 95 TYR OH : rot -159:sc= 1.22 USER MOD Single : A 107 GLN : amide:sc= -0.403 K(o=-0.4,f=-3.2) USER MOD Single : A 112 GLN : amide:sc= 0.858 K(o=0.86,f=-4.7!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN :FLIP amide:sc= -1.21 F(o=-2.8!,f=-1.2) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.583 -11.195 1.010 1.00 0.00 N ATOM 101 CA LEU A 36 2.216 -11.265 0.531 1.00 0.00 C ATOM 102 C LEU A 36 1.889 -10.017 -0.297 1.00 0.00 C ATOM 103 O LEU A 36 2.748 -9.173 -0.564 1.00 0.00 O ATOM 104 CB LEU A 36 1.276 -11.492 1.732 1.00 0.00 C ATOM 105 CG LEU A 36 1.450 -10.477 2.871 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.046 -9.063 2.459 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.679 -10.919 4.117 1.00 0.00 C ATOM 0 HA LEU A 36 2.074 -12.111 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.244 -11.455 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.444 -12.495 2.126 1.00 0.00 H new ATOM 0 HG LEU A 36 2.513 -10.448 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.188 -8.384 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.664 -8.738 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.002 -9.056 2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.817 -10.184 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.382 -11.000 3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.051 -11.888 4.451 1.00 0.00 H new ATOM 119 N PHE A 37 0.638 -9.918 -0.725 1.00 0.00 N ATOM 120 CA PHE A 37 0.013 -8.769 -1.374 1.00 0.00 C ATOM 121 C PHE A 37 -1.502 -8.940 -1.198 1.00 0.00 C ATOM 122 O PHE A 37 -1.959 -10.068 -0.996 1.00 0.00 O ATOM 123 CB PHE A 37 0.386 -8.747 -2.867 1.00 0.00 C ATOM 124 CG PHE A 37 0.168 -7.416 -3.564 1.00 0.00 C ATOM 125 CD1 PHE A 37 1.173 -6.430 -3.518 1.00 0.00 C ATOM 126 CD2 PHE A 37 -1.009 -7.170 -4.300 1.00 0.00 C ATOM 127 CE1 PHE A 37 1.021 -5.227 -4.225 1.00 0.00 C ATOM 128 CE2 PHE A 37 -1.151 -5.974 -5.027 1.00 0.00 C ATOM 129 CZ PHE A 37 -0.118 -5.025 -5.015 1.00 0.00 C ATOM 0 H PHE A 37 -0.016 -10.694 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 37 0.350 -7.829 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.435 -9.025 -2.968 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.197 -9.510 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.066 -6.601 -2.935 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.804 -7.901 -4.306 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.779 -4.460 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.052 -5.787 -5.592 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.201 -4.133 -5.618 1.00 0.00 H new ATOM 139 N TYR A 38 -2.270 -7.857 -1.281 1.00 0.00 N ATOM 140 CA TYR A 38 -3.731 -7.840 -1.306 1.00 0.00 C ATOM 141 C TYR A 38 -4.216 -6.731 -2.252 1.00 0.00 C ATOM 142 O TYR A 38 -3.416 -5.930 -2.741 1.00 0.00 O ATOM 143 CB TYR A 38 -4.286 -7.571 0.098 1.00 0.00 C ATOM 144 CG TYR A 38 -3.963 -8.592 1.165 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.750 -8.492 1.863 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.881 -9.606 1.500 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.433 -9.414 2.871 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.584 -10.505 2.531 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.349 -10.436 3.205 1.00 0.00 C ATOM 150 OH TYR A 38 -3.051 -11.373 4.148 1.00 0.00 O ATOM 0 H TYR A 38 -1.871 -6.920 -1.335 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.084 -8.811 -1.653 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.914 -6.602 0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.370 -7.488 0.025 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.056 -7.700 1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.814 -9.690 0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.489 -9.343 3.391 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.307 -11.257 2.812 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.804 -11.993 4.242 1.00 0.00 H new ATOM 160 N THR A 39 -5.527 -6.592 -2.437 1.00 0.00 N ATOM 161 CA THR A 39 -6.151 -5.472 -3.131 1.00 0.00 C ATOM 162 C THR A 39 -7.332 -4.925 -2.321 1.00 0.00 C ATOM 163 O THR A 39 -7.784 -5.580 -1.370 1.00 0.00 O ATOM 164 CB THR A 39 -6.617 -5.935 -4.528 1.00 0.00 C ATOM 165 OG1 THR A 39 -7.655 -6.877 -4.394 1.00 0.00 O ATOM 166 CG2 THR A 39 -5.507 -6.550 -5.371 1.00 0.00 C ATOM 0 H THR A 39 -6.203 -7.277 -2.098 1.00 0.00 H new ATOM 0 HA THR A 39 -5.423 -4.668 -3.243 1.00 0.00 H new ATOM 0 HB THR A 39 -6.957 -5.039 -5.046 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.950 -7.168 -5.282 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.909 -6.851 -6.338 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.715 -5.817 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.102 -7.423 -4.859 1.00 0.00 H new ATOM 174 N PRO A 40 -7.906 -3.780 -2.736 1.00 0.00 N ATOM 175 CA PRO A 40 -9.230 -3.361 -2.306 1.00 0.00 C ATOM 176 C PRO A 40 -10.366 -4.331 -2.676 1.00 0.00 C ATOM 177 O PRO A 40 -11.507 -4.069 -2.317 1.00 0.00 O ATOM 178 CB PRO A 40 -9.455 -1.958 -2.889 1.00 0.00 C ATOM 179 CG PRO A 40 -8.348 -1.733 -3.912 1.00 0.00 C ATOM 180 CD PRO A 40 -7.276 -2.750 -3.551 1.00 0.00 C ATOM 0 HA PRO A 40 -9.261 -3.355 -1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.437 -1.885 -3.357 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.419 -1.202 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.711 -1.885 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.962 -0.715 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.842 -3.185 -4.451 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.463 -2.272 -3.004 1.00 0.00 H new ATOM 188 N GLY A 41 -10.083 -5.454 -3.342 1.00 0.00 N ATOM 189 CA GLY A 41 -11.018 -6.548 -3.557 1.00 0.00 C ATOM 190 C GLY A 41 -10.513 -7.846 -2.953 1.00 0.00 C ATOM 191 O GLY A 41 -10.894 -8.910 -3.422 1.00 0.00 O ATOM 0 H GLY A 41 -9.167 -5.626 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.983 -6.294 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.180 -6.683 -4.626 1.00 0.00 H new ATOM 195 N GLU A 42 -9.657 -7.791 -1.931 1.00 0.00 N ATOM 196 CA GLU A 42 -9.231 -8.983 -1.206 1.00 0.00 C ATOM 197 C GLU A 42 -9.327 -8.761 0.299 1.00 0.00 C ATOM 198 O GLU A 42 -9.780 -9.648 1.015 1.00 0.00 O ATOM 199 CB GLU A 42 -7.791 -9.357 -1.583 1.00 0.00 C ATOM 200 CG GLU A 42 -7.656 -10.014 -2.963 1.00 0.00 C ATOM 201 CD GLU A 42 -6.214 -10.457 -3.210 1.00 0.00 C ATOM 202 OE1 GLU A 42 -5.331 -9.607 -3.445 1.00 0.00 O ATOM 203 OE2 GLU A 42 -5.932 -11.670 -3.086 1.00 0.00 O ATOM 0 H GLU A 42 -9.244 -6.924 -1.587 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.895 -9.801 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.175 -8.458 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.394 -10.036 -0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.323 -10.874 -3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.964 -9.312 -3.738 1.00 0.00 H new ATOM 210 N ILE A 43 -8.936 -7.580 0.793 1.00 0.00 N ATOM 211 CA ILE A 43 -8.968 -7.267 2.226 1.00 0.00 C ATOM 212 C ILE A 43 -10.413 -7.294 2.764 1.00 0.00 C ATOM 213 O ILE A 43 -10.632 -7.528 3.952 1.00 0.00 O ATOM 214 CB ILE A 43 -8.220 -5.930 2.481 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.757 -6.076 1.987 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.270 -5.528 3.964 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.761 -5.031 2.488 1.00 0.00 C ATOM 0 H ILE A 43 -8.589 -6.817 0.212 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.440 -8.035 2.791 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.714 -5.132 1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.394 -7.061 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.761 -6.049 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.736 -4.588 4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.308 -5.406 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.801 -6.305 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.775 -5.240 2.074 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.084 -4.039 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.713 -5.067 3.576 1.00 0.00 H new ATOM 229 N LEU A 44 -11.402 -7.102 1.892 1.00 0.00 N ATOM 230 CA LEU A 44 -12.826 -7.164 2.199 1.00 0.00 C ATOM 231 C LEU A 44 -13.365 -8.477 1.630 1.00 0.00 C ATOM 232 O LEU A 44 -13.971 -9.287 2.336 1.00 0.00 O ATOM 233 CB LEU A 44 -13.602 -5.924 1.678 1.00 0.00 C ATOM 234 CG LEU A 44 -12.959 -5.079 0.557 1.00 0.00 C ATOM 235 CD1 LEU A 44 -14.008 -4.239 -0.171 1.00 0.00 C ATOM 236 CD2 LEU A 44 -11.909 -4.110 1.098 1.00 0.00 C ATOM 0 H LEU A 44 -11.222 -6.890 0.911 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.972 -7.143 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.574 -6.265 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.786 -5.266 2.527 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.492 -5.794 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.526 -3.655 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.756 -4.896 -0.616 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.492 -3.567 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.484 -3.537 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.375 -3.430 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.118 -4.671 1.596 1.00 0.00 H new ATOM 248 N TYR A 45 -13.128 -8.697 0.339 1.00 0.00 N ATOM 249 CA TYR A 45 -13.785 -9.732 -0.453 1.00 0.00 C ATOM 250 C TYR A 45 -13.109 -11.101 -0.448 1.00 0.00 C ATOM 251 O TYR A 45 -13.468 -11.943 -1.266 1.00 0.00 O ATOM 252 CB TYR A 45 -13.985 -9.204 -1.871 1.00 0.00 C ATOM 253 CG TYR A 45 -14.826 -7.953 -1.985 1.00 0.00 C ATOM 254 CD1 TYR A 45 -15.702 -7.555 -0.955 1.00 0.00 C ATOM 255 CD2 TYR A 45 -14.765 -7.217 -3.177 1.00 0.00 C ATOM 256 CE1 TYR A 45 -16.569 -6.475 -1.146 1.00 0.00 C ATOM 257 CE2 TYR A 45 -15.634 -6.132 -3.377 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.555 -5.766 -2.367 1.00 0.00 C ATOM 259 OH TYR A 45 -17.396 -4.707 -2.517 1.00 0.00 O ATOM 0 H TYR A 45 -12.457 -8.147 -0.198 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.742 -9.931 0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.006 -9.004 -2.307 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.447 -9.988 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.703 -8.086 -0.015 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.050 -7.484 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.249 -6.183 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.599 -5.576 -4.303 1.00 0.00 H new ATOM 0 HH TYR A 45 -17.274 -4.316 -3.408 1.00 0.00 H new ATOM 269 N GLY A 46 -12.180 -11.370 0.467 1.00 0.00 N ATOM 270 CA GLY A 46 -11.541 -12.673 0.518 1.00 0.00 C ATOM 271 C GLY A 46 -10.291 -12.629 -0.329 1.00 0.00 C ATOM 272 O GLY A 46 -10.341 -12.267 -1.502 1.00 0.00 O ATOM 0 H GLY A 46 -11.859 -10.708 1.174 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.292 -12.932 1.547 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -12.220 -13.442 0.151 1.00 0.00 H new ATOM 276 N LYS A 47 -9.146 -12.972 0.255 1.00 0.00 N ATOM 277 CA LYS A 47 -7.927 -13.065 -0.516 1.00 0.00 C ATOM 278 C LYS A 47 -8.065 -14.148 -1.574 1.00 0.00 C ATOM 279 O LYS A 47 -8.606 -15.198 -1.233 1.00 0.00 O ATOM 280 CB LYS A 47 -6.816 -13.369 0.462 1.00 0.00 C ATOM 281 CG LYS A 47 -5.516 -13.293 -0.305 1.00 0.00 C ATOM 282 CD LYS A 47 -4.357 -13.309 0.651 1.00 0.00 C ATOM 283 CE LYS A 47 -3.217 -12.554 -0.007 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.379 -13.406 -0.852 1.00 0.00 N ATOM 0 H LYS A 47 -9.045 -13.186 1.247 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.710 -12.137 -1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.820 -12.654 1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.948 -14.359 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.441 -14.133 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.491 -12.384 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.632 -12.841 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.060 -14.333 0.877 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.626 -11.743 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.598 -12.096 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.618 -12.836 -1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.963 -14.165 -0.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.959 -13.823 -1.608 1.00 0.00 H new ATOM 385 N MET A 53 -7.343 -14.076 5.581 1.00 0.00 N ATOM 386 CA MET A 53 -7.510 -12.621 5.579 1.00 0.00 C ATOM 387 C MET A 53 -6.287 -12.003 6.278 1.00 0.00 C ATOM 388 O MET A 53 -5.578 -12.709 7.004 1.00 0.00 O ATOM 389 CB MET A 53 -8.845 -12.253 6.251 1.00 0.00 C ATOM 390 CG MET A 53 -10.043 -12.787 5.455 1.00 0.00 C ATOM 391 SD MET A 53 -10.168 -12.206 3.742 1.00 0.00 S ATOM 392 CE MET A 53 -11.025 -10.633 3.997 1.00 0.00 C ATOM 0 HA MET A 53 -7.557 -12.221 4.566 1.00 0.00 H new ATOM 0 HB2 MET A 53 -8.869 -12.660 7.262 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.921 -11.169 6.341 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.995 -13.876 5.448 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.957 -12.512 5.981 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.165 -10.135 3.037 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.996 -10.818 4.455 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.430 -9.997 4.652 1.00 0.00 H new ATOM 402 N PRO A 54 -5.958 -10.719 6.049 1.00 0.00 N ATOM 403 CA PRO A 54 -4.866 -10.078 6.769 1.00 0.00 C ATOM 404 C PRO A 54 -5.263 -9.876 8.231 1.00 0.00 C ATOM 405 O PRO A 54 -6.422 -9.594 8.531 1.00 0.00 O ATOM 406 CB PRO A 54 -4.626 -8.741 6.066 1.00 0.00 C ATOM 407 CG PRO A 54 -5.964 -8.423 5.398 1.00 0.00 C ATOM 408 CD PRO A 54 -6.628 -9.777 5.166 1.00 0.00 C ATOM 0 HA PRO A 54 -3.958 -10.681 6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.340 -7.964 6.775 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.823 -8.815 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.580 -7.786 6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.818 -7.890 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.694 -9.729 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -6.531 -10.084 4.125 1.00 0.00 H new ATOM 416 N GLU A 55 -4.287 -9.933 9.130 1.00 0.00 N ATOM 417 CA GLU A 55 -4.504 -9.643 10.534 1.00 0.00 C ATOM 418 C GLU A 55 -4.547 -8.127 10.704 1.00 0.00 C ATOM 419 O GLU A 55 -3.857 -7.370 10.024 1.00 0.00 O ATOM 420 CB GLU A 55 -3.365 -10.249 11.373 1.00 0.00 C ATOM 421 CG GLU A 55 -3.665 -11.711 11.724 1.00 0.00 C ATOM 422 CD GLU A 55 -2.689 -12.246 12.771 1.00 0.00 C ATOM 423 OE1 GLU A 55 -2.797 -11.854 13.953 1.00 0.00 O ATOM 424 OE2 GLU A 55 -1.810 -13.069 12.408 1.00 0.00 O ATOM 0 H GLU A 55 -3.325 -10.182 8.902 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.444 -10.079 10.874 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.428 -10.188 10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.233 -9.670 12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.685 -11.794 12.099 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.606 -12.322 10.823 1.00 0.00 H new ATOM 431 N VAL A 56 -5.356 -7.673 11.645 1.00 0.00 N ATOM 432 CA VAL A 56 -5.631 -6.268 11.903 1.00 0.00 C ATOM 433 C VAL A 56 -4.475 -5.582 12.647 1.00 0.00 C ATOM 434 O VAL A 56 -4.556 -4.429 13.051 1.00 0.00 O ATOM 435 CB VAL A 56 -7.030 -6.198 12.554 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.401 -4.805 13.014 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.114 -6.682 11.572 1.00 0.00 C ATOM 0 H VAL A 56 -5.860 -8.296 12.276 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.676 -5.674 10.990 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.980 -6.848 13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.394 -4.822 13.462 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.676 -4.460 13.751 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -7.400 -4.128 12.160 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.091 -6.624 12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.108 -6.051 10.683 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.911 -7.714 11.286 1.00 0.00 H new ATOM 447 N GLY A 57 -3.388 -6.280 12.939 1.00 0.00 N ATOM 448 CA GLY A 57 -2.174 -5.649 13.436 1.00 0.00 C ATOM 449 C GLY A 57 -0.956 -6.346 12.879 1.00 0.00 C ATOM 450 O GLY A 57 0.024 -6.523 13.608 1.00 0.00 O ATOM 0 H GLY A 57 -3.322 -7.293 12.839 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.161 -4.597 13.153 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.156 -5.686 14.525 1.00 0.00 H new ATOM 454 N GLN A 58 -1.018 -6.757 11.611 1.00 0.00 N ATOM 455 CA GLN A 58 0.187 -7.124 10.874 1.00 0.00 C ATOM 456 C GLN A 58 0.428 -6.068 9.796 1.00 0.00 C ATOM 457 O GLN A 58 -0.465 -5.280 9.464 1.00 0.00 O ATOM 458 CB GLN A 58 0.079 -8.547 10.286 1.00 0.00 C ATOM 459 CG GLN A 58 -0.951 -8.608 9.164 1.00 0.00 C ATOM 460 CD GLN A 58 -0.946 -9.881 8.354 1.00 0.00 C ATOM 461 OE1 GLN A 58 -1.622 -10.868 8.636 1.00 0.00 O ATOM 462 NE2 GLN A 58 -0.244 -9.837 7.256 1.00 0.00 N ATOM 0 H GLN A 58 -1.884 -6.843 11.079 1.00 0.00 H new ATOM 0 HA GLN A 58 1.043 -7.148 11.548 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.052 -8.860 9.907 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.197 -9.248 11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.943 -8.475 9.596 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.781 -7.768 8.491 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.311 -9.009 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.250 -10.630 6.615 1.00 0.00 H new ATOM 471 N ARG A 59 1.610 -6.112 9.188 1.00 0.00 N ATOM 472 CA ARG A 59 1.892 -5.375 7.972 1.00 0.00 C ATOM 473 C ARG A 59 1.319 -6.128 6.778 1.00 0.00 C ATOM 474 O ARG A 59 1.213 -7.361 6.805 1.00 0.00 O ATOM 475 CB ARG A 59 3.395 -5.069 7.850 1.00 0.00 C ATOM 476 CG ARG A 59 4.207 -6.180 7.171 1.00 0.00 C ATOM 477 CD ARG A 59 5.704 -6.028 7.458 1.00 0.00 C ATOM 478 NE ARG A 59 6.094 -6.692 8.711 1.00 0.00 N ATOM 479 CZ ARG A 59 6.249 -8.010 8.876 1.00 0.00 C ATOM 480 NH1 ARG A 59 6.045 -8.846 7.865 1.00 0.00 N ATOM 481 NH2 ARG A 59 6.615 -8.510 10.051 1.00 0.00 N ATOM 0 H ARG A 59 2.398 -6.663 9.530 1.00 0.00 H new ATOM 0 HA ARG A 59 1.401 -4.402 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.522 -4.145 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.801 -4.894 8.846 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.863 -7.152 7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.036 -6.153 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.276 -6.449 6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.957 -4.969 7.515 1.00 0.00 H new ATOM 0 HE ARG A 59 6.260 -6.097 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.767 -8.485 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.166 -9.850 8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.781 -7.887 10.841 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.730 -9.517 10.163 1.00 0.00 H new ATOM 495 N LEU A 60 0.973 -5.409 5.715 1.00 0.00 N ATOM 496 CA LEU A 60 0.692 -5.960 4.409 1.00 0.00 C ATOM 497 C LEU A 60 0.913 -4.921 3.311 1.00 0.00 C ATOM 498 O LEU A 60 1.064 -3.730 3.587 1.00 0.00 O ATOM 499 CB LEU A 60 -0.703 -6.620 4.333 1.00 0.00 C ATOM 500 CG LEU A 60 -1.965 -5.953 4.910 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.979 -5.945 6.431 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.253 -4.561 4.363 1.00 0.00 C ATOM 0 H LEU A 60 0.880 -4.394 5.748 1.00 0.00 H new ATOM 0 HA LEU A 60 1.407 -6.764 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.903 -6.806 3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.615 -7.593 4.817 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.779 -6.589 4.562 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.891 -5.463 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.944 -6.970 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.112 -5.396 6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.159 -4.169 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.416 -3.901 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.391 -4.616 3.283 1.00 0.00 H new ATOM 514 N ARG A 61 0.917 -5.383 2.057 1.00 0.00 N ATOM 515 CA ARG A 61 1.087 -4.603 0.835 1.00 0.00 C ATOM 516 C ARG A 61 -0.219 -4.679 0.050 1.00 0.00 C ATOM 517 O ARG A 61 -0.815 -5.753 -0.035 1.00 0.00 O ATOM 518 CB ARG A 61 2.304 -5.169 0.071 1.00 0.00 C ATOM 519 CG ARG A 61 2.851 -4.314 -1.081 1.00 0.00 C ATOM 520 CD ARG A 61 4.259 -4.820 -1.460 1.00 0.00 C ATOM 521 NE ARG A 61 4.838 -4.132 -2.628 1.00 0.00 N ATOM 522 CZ ARG A 61 5.870 -3.273 -2.679 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.445 -2.779 -1.582 1.00 0.00 N ATOM 524 NH2 ARG A 61 6.302 -2.917 -3.882 1.00 0.00 N ATOM 0 H ARG A 61 0.793 -6.376 1.860 1.00 0.00 H new ATOM 0 HA ARG A 61 1.291 -3.549 1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.110 -5.332 0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.031 -6.145 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.186 -4.373 -1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.895 -3.266 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.924 -4.691 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.209 -5.889 -1.667 1.00 0.00 H new ATOM 0 HE ARG A 61 4.393 -4.337 -3.523 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.103 -3.051 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.227 -2.129 -1.665 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.853 -3.293 -4.717 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.083 -2.267 -3.972 1.00 0.00 H new ATOM 538 N VAL A 62 -0.677 -3.557 -0.491 1.00 0.00 N ATOM 539 CA VAL A 62 -1.883 -3.406 -1.294 1.00 0.00 C ATOM 540 C VAL A 62 -1.480 -2.785 -2.627 1.00 0.00 C ATOM 541 O VAL A 62 -0.543 -1.991 -2.667 1.00 0.00 O ATOM 542 CB VAL A 62 -2.898 -2.518 -0.536 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.152 -2.165 -1.350 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.370 -3.234 0.729 1.00 0.00 C ATOM 0 H VAL A 62 -0.184 -2.672 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.361 -4.368 -1.477 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.364 -1.593 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.813 -1.541 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.861 -1.623 -2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.673 -3.080 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.085 -2.604 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.848 -4.175 0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.515 -3.434 1.374 1.00 0.00 H new ATOM 554 N GLY A 63 -2.224 -3.056 -3.697 1.00 0.00 N ATOM 555 CA GLY A 63 -2.216 -2.237 -4.902 1.00 0.00 C ATOM 556 C GLY A 63 -3.640 -1.854 -5.250 1.00 0.00 C ATOM 557 O GLY A 63 -4.564 -2.619 -4.968 1.00 0.00 O ATOM 0 H GLY A 63 -2.853 -3.857 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.614 -1.342 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.762 -2.786 -5.727 1.00 0.00 H new ATOM 561 N GLY A 64 -3.807 -0.690 -5.866 1.00 0.00 N ATOM 562 CA GLY A 64 -5.078 -0.217 -6.403 1.00 0.00 C ATOM 563 C GLY A 64 -4.915 1.152 -7.059 1.00 0.00 C ATOM 564 O GLY A 64 -3.825 1.726 -7.045 1.00 0.00 O ATOM 0 H GLY A 64 -3.042 -0.031 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.458 -0.932 -7.133 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.816 -0.156 -5.603 1.00 0.00 H new ATOM 568 N MET A 65 -5.997 1.697 -7.608 1.00 0.00 N ATOM 569 CA MET A 65 -6.084 3.037 -8.169 1.00 0.00 C ATOM 570 C MET A 65 -6.536 4.028 -7.090 1.00 0.00 C ATOM 571 O MET A 65 -7.541 3.789 -6.436 1.00 0.00 O ATOM 572 CB MET A 65 -7.066 2.990 -9.345 1.00 0.00 C ATOM 573 CG MET A 65 -6.934 4.216 -10.253 1.00 0.00 C ATOM 574 SD MET A 65 -7.700 4.049 -11.890 1.00 0.00 S ATOM 575 CE MET A 65 -6.763 2.645 -12.553 1.00 0.00 C ATOM 0 H MET A 65 -6.879 1.189 -7.676 1.00 0.00 H new ATOM 0 HA MET A 65 -5.112 3.376 -8.527 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.890 2.086 -9.928 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.085 2.929 -8.964 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.379 5.073 -9.747 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.875 4.438 -10.386 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.771 2.684 -13.642 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.734 2.693 -12.195 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.220 1.713 -12.220 1.00 0.00 H new ATOM 585 N VAL A 66 -5.814 5.119 -6.843 1.00 0.00 N ATOM 586 CA VAL A 66 -6.164 6.126 -5.839 1.00 0.00 C ATOM 587 C VAL A 66 -7.434 6.845 -6.305 1.00 0.00 C ATOM 588 O VAL A 66 -7.467 7.331 -7.438 1.00 0.00 O ATOM 589 CB VAL A 66 -4.998 7.126 -5.752 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.271 8.330 -4.841 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.757 6.406 -5.236 1.00 0.00 C ATOM 0 H VAL A 66 -4.952 5.334 -7.344 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.340 5.674 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.858 7.515 -6.761 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.401 8.986 -4.835 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.136 8.879 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.470 7.982 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.928 7.110 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.960 5.994 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.495 5.598 -5.919 1.00 0.00 H new ATOM 601 N MET A 67 -8.448 6.968 -5.447 1.00 0.00 N ATOM 602 CA MET A 67 -9.599 7.816 -5.727 1.00 0.00 C ATOM 603 C MET A 67 -9.198 9.289 -5.853 1.00 0.00 C ATOM 604 O MET A 67 -8.435 9.802 -5.025 1.00 0.00 O ATOM 605 CB MET A 67 -10.611 7.741 -4.588 1.00 0.00 C ATOM 606 CG MET A 67 -11.407 6.452 -4.559 1.00 0.00 C ATOM 607 SD MET A 67 -12.678 6.514 -3.282 1.00 0.00 S ATOM 608 CE MET A 67 -13.378 4.888 -3.582 1.00 0.00 C ATOM 0 H MET A 67 -8.492 6.487 -4.549 1.00 0.00 H new ATOM 0 HA MET A 67 -10.024 7.455 -6.664 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.085 7.854 -3.640 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.301 8.581 -4.672 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.870 6.283 -5.531 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.739 5.611 -4.373 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.188 4.705 -2.876 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.766 4.841 -4.599 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.606 4.130 -3.453 1.00 0.00 H new ATOM 618 N PRO A 68 -9.786 9.995 -6.825 1.00 0.00 N ATOM 619 CA PRO A 68 -9.795 11.444 -6.865 1.00 0.00 C ATOM 620 C PRO A 68 -10.697 11.967 -5.742 1.00 0.00 C ATOM 621 O PRO A 68 -11.694 11.339 -5.374 1.00 0.00 O ATOM 622 CB PRO A 68 -10.324 11.786 -8.261 1.00 0.00 C ATOM 623 CG PRO A 68 -11.263 10.619 -8.572 1.00 0.00 C ATOM 624 CD PRO A 68 -10.671 9.444 -7.836 1.00 0.00 C ATOM 0 HA PRO A 68 -8.819 11.902 -6.706 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.851 12.740 -8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.518 11.860 -8.991 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.278 10.827 -8.234 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.316 10.429 -9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.453 8.838 -7.378 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.123 8.794 -8.519 1.00 0.00 H new ATOM 632 N GLY A 69 -10.351 13.117 -5.176 1.00 0.00 N ATOM 633 CA GLY A 69 -11.113 13.754 -4.118 1.00 0.00 C ATOM 634 C GLY A 69 -11.046 12.979 -2.805 1.00 0.00 C ATOM 635 O GLY A 69 -11.927 13.165 -1.970 1.00 0.00 O ATOM 0 H GLY A 69 -9.518 13.639 -5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.736 14.764 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.154 13.847 -4.429 1.00 0.00 H new ATOM 639 N SER A 70 -10.035 12.122 -2.615 1.00 0.00 N ATOM 640 CA SER A 70 -9.787 11.438 -1.345 1.00 0.00 C ATOM 641 C SER A 70 -8.410 11.766 -0.774 1.00 0.00 C ATOM 642 O SER A 70 -8.224 11.683 0.436 1.00 0.00 O ATOM 643 CB SER A 70 -9.965 9.926 -1.493 1.00 0.00 C ATOM 644 OG SER A 70 -11.220 9.637 -2.072 1.00 0.00 O ATOM 0 H SER A 70 -9.363 11.884 -3.345 1.00 0.00 H new ATOM 0 HA SER A 70 -10.528 11.806 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.167 9.518 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.887 9.446 -0.517 1.00 0.00 H new ATOM 0 HG SER A 70 -11.391 8.674 -2.018 1.00 0.00 H new ATOM 650 N VAL A 71 -7.425 12.127 -1.605 1.00 0.00 N ATOM 651 CA VAL A 71 -6.147 12.658 -1.163 1.00 0.00 C ATOM 652 C VAL A 71 -6.392 13.971 -0.386 1.00 0.00 C ATOM 653 O VAL A 71 -6.543 15.039 -0.984 1.00 0.00 O ATOM 654 CB VAL A 71 -5.197 12.796 -2.380 1.00 0.00 C ATOM 655 CG1 VAL A 71 -3.756 12.928 -1.883 1.00 0.00 C ATOM 656 CG2 VAL A 71 -5.235 11.588 -3.341 1.00 0.00 C ATOM 0 H VAL A 71 -7.503 12.054 -2.619 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.645 11.982 -0.471 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.538 13.675 -2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.084 13.025 -2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.669 13.811 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.487 12.042 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.544 11.758 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.942 10.686 -2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.245 11.466 -3.732 1.00 0.00 H new ATOM 666 N GLN A 72 -6.501 13.881 0.942 1.00 0.00 N ATOM 667 CA GLN A 72 -6.768 14.986 1.862 1.00 0.00 C ATOM 668 C GLN A 72 -5.513 15.857 1.986 1.00 0.00 C ATOM 669 O GLN A 72 -5.503 16.985 1.495 1.00 0.00 O ATOM 670 CB GLN A 72 -7.223 14.411 3.221 1.00 0.00 C ATOM 671 CG GLN A 72 -8.680 13.909 3.200 1.00 0.00 C ATOM 672 CD GLN A 72 -9.393 14.063 4.548 1.00 0.00 C ATOM 673 OE1 GLN A 72 -10.461 14.660 4.628 1.00 0.00 O ATOM 674 NE2 GLN A 72 -8.848 13.521 5.628 1.00 0.00 N ATOM 0 H GLN A 72 -6.400 12.990 1.428 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.570 15.621 1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.564 13.589 3.501 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.119 15.178 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.235 14.457 2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.691 12.859 2.909 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.959 13.025 5.557 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.317 13.600 6.530 1.00 0.00 H new ATOM 683 N ARG A 73 -4.443 15.291 2.564 1.00 0.00 N ATOM 684 CA ARG A 73 -3.142 15.901 2.882 1.00 0.00 C ATOM 685 C ARG A 73 -3.289 16.959 3.984 1.00 0.00 C ATOM 686 O ARG A 73 -4.212 17.775 3.947 1.00 0.00 O ATOM 687 CB ARG A 73 -2.418 16.457 1.630 1.00 0.00 C ATOM 688 CG ARG A 73 -2.581 15.635 0.338 1.00 0.00 C ATOM 689 CD ARG A 73 -1.487 15.851 -0.721 1.00 0.00 C ATOM 690 NE ARG A 73 -1.887 16.795 -1.777 1.00 0.00 N ATOM 691 CZ ARG A 73 -1.379 17.999 -2.068 1.00 0.00 C ATOM 692 NH1 ARG A 73 -0.434 18.559 -1.319 1.00 0.00 N ATOM 693 NH2 ARG A 73 -1.831 18.645 -3.137 1.00 0.00 N ATOM 0 H ARG A 73 -4.467 14.311 2.845 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.500 15.108 3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.781 17.468 1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.354 16.537 1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.606 14.577 0.601 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.547 15.876 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.585 16.221 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.234 14.893 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.659 16.489 -2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.077 18.070 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.066 19.478 -1.565 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.553 18.223 -3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.456 19.563 -3.374 1.00 0.00 H new ATOM 758 N LEU A 78 3.019 16.555 6.574 1.00 0.00 N ATOM 759 CA LEU A 78 3.218 15.511 5.586 1.00 0.00 C ATOM 760 C LEU A 78 2.314 14.311 5.829 1.00 0.00 C ATOM 761 O LEU A 78 2.354 13.359 5.044 1.00 0.00 O ATOM 762 CB LEU A 78 4.693 15.090 5.558 1.00 0.00 C ATOM 763 CG LEU A 78 5.669 16.269 5.338 1.00 0.00 C ATOM 764 CD1 LEU A 78 6.275 16.770 6.656 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.783 15.821 4.406 1.00 0.00 C ATOM 0 HA LEU A 78 2.945 15.918 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.939 14.596 6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.838 14.356 4.765 1.00 0.00 H new ATOM 0 HG LEU A 78 5.108 17.094 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.954 17.598 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.478 17.109 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.824 15.960 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.477 16.646 4.245 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.316 14.981 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.357 15.514 3.451 1.00 0.00 H new ATOM 777 N LYS A 79 1.490 14.327 6.880 1.00 0.00 N ATOM 778 CA LYS A 79 0.442 13.358 7.060 1.00 0.00 C ATOM 779 C LYS A 79 -0.503 13.456 5.879 1.00 0.00 C ATOM 780 O LYS A 79 -0.822 14.538 5.378 1.00 0.00 O ATOM 781 CB LYS A 79 -0.280 13.641 8.380 1.00 0.00 C ATOM 782 CG LYS A 79 0.271 12.768 9.509 1.00 0.00 C ATOM 783 CD LYS A 79 -0.290 11.338 9.600 1.00 0.00 C ATOM 784 CE LYS A 79 -1.601 11.263 10.395 1.00 0.00 C ATOM 785 NZ LYS A 79 -1.815 9.920 10.983 1.00 0.00 N ATOM 0 H LYS A 79 1.543 15.022 7.625 1.00 0.00 H new ATOM 0 HA LYS A 79 0.844 12.346 7.106 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.167 14.693 8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.347 13.456 8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.353 12.704 9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.079 13.272 10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.458 10.954 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.451 10.691 10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.587 12.009 11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.437 11.510 9.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.711 9.911 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.854 9.211 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.031 9.694 11.627 1.00 0.00 H new ATOM 799 N VAL A 80 -0.920 12.293 5.428 1.00 0.00 N ATOM 800 CA VAL A 80 -1.923 12.135 4.395 1.00 0.00 C ATOM 801 C VAL A 80 -3.026 11.217 4.877 1.00 0.00 C ATOM 802 O VAL A 80 -2.822 10.314 5.691 1.00 0.00 O ATOM 803 CB VAL A 80 -1.328 11.581 3.083 1.00 0.00 C ATOM 804 CG1 VAL A 80 -1.847 12.389 1.903 1.00 0.00 C ATOM 805 CG2 VAL A 80 0.189 11.643 2.989 1.00 0.00 C ATOM 0 H VAL A 80 -0.561 11.405 5.779 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.327 13.125 4.185 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.632 10.534 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.425 11.995 0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.934 12.319 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.554 13.432 2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.511 11.231 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.516 12.680 3.067 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.628 11.062 3.800 1.00 0.00 H new ATOM 815 N THR A 81 -4.161 11.370 4.220 1.00 0.00 N ATOM 816 CA THR A 81 -5.148 10.341 4.018 1.00 0.00 C ATOM 817 C THR A 81 -5.390 10.325 2.507 1.00 0.00 C ATOM 818 O THR A 81 -5.349 11.384 1.872 1.00 0.00 O ATOM 819 CB THR A 81 -6.425 10.646 4.838 1.00 0.00 C ATOM 820 OG1 THR A 81 -6.456 11.980 5.328 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.539 9.760 6.068 1.00 0.00 C ATOM 0 H THR A 81 -4.426 12.259 3.795 1.00 0.00 H new ATOM 0 HA THR A 81 -4.824 9.359 4.364 1.00 0.00 H new ATOM 0 HB THR A 81 -7.242 10.468 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.582 11.969 6.300 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.450 10.009 6.613 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.574 8.715 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.675 9.920 6.713 1.00 0.00 H new ATOM 829 N PHE A 82 -5.551 9.142 1.921 1.00 0.00 N ATOM 830 CA PHE A 82 -6.180 8.956 0.618 1.00 0.00 C ATOM 831 C PHE A 82 -7.046 7.695 0.650 1.00 0.00 C ATOM 832 O PHE A 82 -7.126 7.023 1.673 1.00 0.00 O ATOM 833 CB PHE A 82 -5.166 9.006 -0.539 1.00 0.00 C ATOM 834 CG PHE A 82 -4.018 8.014 -0.593 1.00 0.00 C ATOM 835 CD1 PHE A 82 -2.836 8.262 0.137 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.086 6.875 -1.421 1.00 0.00 C ATOM 837 CE1 PHE A 82 -1.695 7.468 -0.055 1.00 0.00 C ATOM 838 CE2 PHE A 82 -2.964 6.041 -1.552 1.00 0.00 C ATOM 839 CZ PHE A 82 -1.748 6.365 -0.924 1.00 0.00 C ATOM 0 H PHE A 82 -5.242 8.269 2.348 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.843 9.796 0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.729 8.900 -1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.730 10.005 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.809 9.072 0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.998 6.645 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.778 7.704 0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.036 5.139 -2.142 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.864 5.772 -1.108 1.00 0.00 H new ATOM 849 N THR A 83 -7.694 7.339 -0.454 1.00 0.00 N ATOM 850 CA THR A 83 -8.420 6.081 -0.605 1.00 0.00 C ATOM 851 C THR A 83 -7.962 5.467 -1.924 1.00 0.00 C ATOM 852 O THR A 83 -7.574 6.205 -2.834 1.00 0.00 O ATOM 853 CB THR A 83 -9.931 6.363 -0.576 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.289 7.045 0.610 1.00 0.00 O ATOM 855 CG2 THR A 83 -10.799 5.109 -0.688 1.00 0.00 C ATOM 0 H THR A 83 -7.731 7.928 -1.286 1.00 0.00 H new ATOM 0 HA THR A 83 -8.218 5.380 0.205 1.00 0.00 H new ATOM 0 HB THR A 83 -10.122 6.977 -1.456 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.254 7.217 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.851 5.391 -0.660 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.585 4.601 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.581 4.440 0.144 1.00 0.00 H new ATOM 863 N ILE A 84 -7.990 4.142 -2.030 1.00 0.00 N ATOM 864 CA ILE A 84 -7.589 3.383 -3.196 1.00 0.00 C ATOM 865 C ILE A 84 -8.731 2.415 -3.469 1.00 0.00 C ATOM 866 O ILE A 84 -9.182 1.720 -2.564 1.00 0.00 O ATOM 867 CB ILE A 84 -6.266 2.606 -2.961 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.331 3.079 -1.842 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.380 2.713 -4.193 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.400 1.940 -1.383 1.00 0.00 C ATOM 0 H ILE A 84 -8.309 3.546 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.399 4.047 -4.039 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.648 1.619 -2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.735 3.922 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -5.920 3.435 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.453 2.166 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.899 2.289 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.152 3.761 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.747 2.302 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.998 1.109 -1.010 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.795 1.603 -2.225 1.00 0.00 H new ATOM 882 N TYR A 85 -9.200 2.375 -4.702 1.00 0.00 N ATOM 883 CA TYR A 85 -10.193 1.453 -5.206 1.00 0.00 C ATOM 884 C TYR A 85 -9.525 0.607 -6.283 1.00 0.00 C ATOM 885 O TYR A 85 -8.322 0.714 -6.514 1.00 0.00 O ATOM 886 CB TYR A 85 -11.432 2.231 -5.685 1.00 0.00 C ATOM 887 CG TYR A 85 -11.246 3.043 -6.949 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.414 4.174 -6.951 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.879 2.645 -8.137 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.147 4.867 -8.140 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.645 3.345 -9.329 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.764 4.450 -9.343 1.00 0.00 C ATOM 893 OH TYR A 85 -10.522 5.103 -10.512 1.00 0.00 O ATOM 0 H TYR A 85 -8.877 3.025 -5.419 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.562 0.776 -4.435 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.244 1.522 -5.846 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.749 2.902 -4.887 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.974 4.514 -6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.548 1.797 -8.133 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.475 5.713 -8.138 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.139 3.039 -10.239 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.684 4.777 -10.901 1.00 0.00 H new ATOM 903 N ASP A 86 -10.276 -0.277 -6.918 1.00 0.00 N ATOM 904 CA ASP A 86 -9.952 -0.771 -8.261 1.00 0.00 C ATOM 905 C ASP A 86 -11.293 -1.215 -8.845 1.00 0.00 C ATOM 906 O ASP A 86 -12.295 -0.564 -8.557 1.00 0.00 O ATOM 907 CB ASP A 86 -8.856 -1.857 -8.239 1.00 0.00 C ATOM 908 CG ASP A 86 -8.146 -2.001 -9.590 1.00 0.00 C ATOM 909 OD1 ASP A 86 -7.498 -1.045 -10.071 1.00 0.00 O ATOM 910 OD2 ASP A 86 -8.105 -3.144 -10.102 1.00 0.00 O ATOM 0 H ASP A 86 -11.128 -0.677 -6.524 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.502 -0.008 -8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.122 -1.613 -7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.301 -2.813 -7.962 1.00 0.00 H new ATOM 915 N ALA A 87 -11.390 -2.308 -9.603 1.00 0.00 N ATOM 916 CA ALA A 87 -12.694 -2.755 -10.087 1.00 0.00 C ATOM 917 C ALA A 87 -13.669 -3.194 -8.987 1.00 0.00 C ATOM 918 O ALA A 87 -14.875 -3.231 -9.239 1.00 0.00 O ATOM 919 CB ALA A 87 -12.513 -3.898 -11.077 1.00 0.00 C ATOM 0 H ALA A 87 -10.601 -2.887 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.143 -1.883 -10.562 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.489 -4.227 -11.435 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.913 -3.557 -11.921 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.007 -4.729 -10.585 1.00 0.00 H new ATOM 925 N GLU A 88 -13.198 -3.504 -7.783 1.00 0.00 N ATOM 926 CA GLU A 88 -13.854 -4.460 -6.914 1.00 0.00 C ATOM 927 C GLU A 88 -14.511 -3.655 -5.803 1.00 0.00 C ATOM 928 O GLU A 88 -15.734 -3.540 -5.759 1.00 0.00 O ATOM 929 CB GLU A 88 -12.851 -5.502 -6.370 1.00 0.00 C ATOM 930 CG GLU A 88 -11.672 -5.888 -7.280 1.00 0.00 C ATOM 931 CD GLU A 88 -12.029 -6.944 -8.328 1.00 0.00 C ATOM 932 OE1 GLU A 88 -13.029 -6.753 -9.044 1.00 0.00 O ATOM 933 OE2 GLU A 88 -11.280 -7.943 -8.466 1.00 0.00 O ATOM 0 H GLU A 88 -12.351 -3.097 -7.387 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.605 -5.037 -7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.444 -5.121 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.404 -6.410 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.307 -4.994 -7.786 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.855 -6.262 -6.663 1.00 0.00 H new ATOM 940 N GLY A 89 -13.688 -3.077 -4.930 1.00 0.00 N ATOM 941 CA GLY A 89 -14.116 -2.287 -3.788 1.00 0.00 C ATOM 942 C GLY A 89 -13.170 -1.113 -3.576 1.00 0.00 C ATOM 943 O GLY A 89 -12.581 -0.627 -4.548 1.00 0.00 O ATOM 0 H GLY A 89 -12.673 -3.151 -5.005 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.130 -1.922 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.140 -2.910 -2.894 1.00 0.00 H new ATOM 947 N SER A 90 -13.051 -0.610 -2.343 1.00 0.00 N ATOM 948 CA SER A 90 -12.024 0.366 -1.994 1.00 0.00 C ATOM 949 C SER A 90 -11.549 0.206 -0.551 1.00 0.00 C ATOM 950 O SER A 90 -12.236 -0.426 0.258 1.00 0.00 O ATOM 951 CB SER A 90 -12.504 1.783 -2.315 1.00 0.00 C ATOM 952 OG SER A 90 -13.410 2.322 -1.364 1.00 0.00 O ATOM 0 H SER A 90 -13.661 -0.868 -1.567 1.00 0.00 H new ATOM 0 HA SER A 90 -11.145 0.176 -2.610 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.637 2.440 -2.387 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.983 1.779 -3.294 1.00 0.00 H new ATOM 0 HG SER A 90 -13.308 3.296 -1.330 1.00 0.00 H new ATOM 958 N VAL A 91 -10.398 0.805 -0.240 1.00 0.00 N ATOM 959 CA VAL A 91 -9.762 0.831 1.065 1.00 0.00 C ATOM 960 C VAL A 91 -9.177 2.211 1.317 1.00 0.00 C ATOM 961 O VAL A 91 -8.578 2.829 0.430 1.00 0.00 O ATOM 962 CB VAL A 91 -8.679 -0.260 1.178 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.324 -1.637 1.041 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.519 -0.154 0.173 1.00 0.00 C ATOM 0 H VAL A 91 -9.858 1.314 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.512 0.620 1.827 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.232 -0.109 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.557 -2.408 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.060 -1.774 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.816 -1.714 0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.816 -0.970 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.910 -0.216 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.008 0.799 0.307 1.00 0.00 H new ATOM 974 N ASP A 92 -9.345 2.689 2.542 1.00 0.00 N ATOM 975 CA ASP A 92 -8.750 3.928 3.002 1.00 0.00 C ATOM 976 C ASP A 92 -7.271 3.688 3.264 1.00 0.00 C ATOM 977 O ASP A 92 -6.885 2.595 3.688 1.00 0.00 O ATOM 978 CB ASP A 92 -9.437 4.388 4.293 1.00 0.00 C ATOM 979 CG ASP A 92 -10.797 5.012 3.978 1.00 0.00 C ATOM 980 OD1 ASP A 92 -11.710 4.254 3.579 1.00 0.00 O ATOM 981 OD2 ASP A 92 -10.915 6.250 4.139 1.00 0.00 O ATOM 0 H ASP A 92 -9.907 2.218 3.251 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.874 4.702 2.245 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.565 3.541 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.808 5.113 4.809 1.00 0.00 H new ATOM 986 N VAL A 93 -6.441 4.719 3.111 1.00 0.00 N ATOM 987 CA VAL A 93 -5.087 4.718 3.625 1.00 0.00 C ATOM 988 C VAL A 93 -4.870 5.977 4.478 1.00 0.00 C ATOM 989 O VAL A 93 -5.430 7.037 4.180 1.00 0.00 O ATOM 990 CB VAL A 93 -4.075 4.584 2.468 1.00 0.00 C ATOM 991 CG1 VAL A 93 -4.356 3.448 1.451 1.00 0.00 C ATOM 992 CG2 VAL A 93 -3.947 5.846 1.668 1.00 0.00 C ATOM 0 H VAL A 93 -6.697 5.578 2.624 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.925 3.855 4.271 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.157 4.345 3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.582 3.448 0.683 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.355 2.488 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.329 3.608 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.223 5.697 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.915 6.104 1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.610 6.655 2.316 1.00 0.00 H new ATOM 1002 N SER A 94 -3.962 5.911 5.449 1.00 0.00 N ATOM 1003 CA SER A 94 -3.359 7.078 6.077 1.00 0.00 C ATOM 1004 C SER A 94 -1.840 6.905 5.964 1.00 0.00 C ATOM 1005 O SER A 94 -1.337 5.831 6.284 1.00 0.00 O ATOM 1006 CB SER A 94 -3.889 7.295 7.495 1.00 0.00 C ATOM 1007 OG SER A 94 -3.833 6.140 8.280 1.00 0.00 O ATOM 0 H SER A 94 -3.620 5.027 5.826 1.00 0.00 H new ATOM 0 HA SER A 94 -3.635 8.003 5.571 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.311 8.084 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.921 7.643 7.442 1.00 0.00 H new ATOM 0 HG SER A 94 -4.355 5.429 7.853 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.111 7.900 5.455 1.00 0.00 N ATOM 1014 CA TYR A 95 0.327 7.871 5.182 1.00 0.00 C ATOM 1015 C TYR A 95 0.969 9.064 5.897 1.00 0.00 C ATOM 1016 O TYR A 95 0.263 9.965 6.345 1.00 0.00 O ATOM 1017 CB TYR A 95 0.526 7.934 3.655 1.00 0.00 C ATOM 1018 CG TYR A 95 1.960 7.994 3.155 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.955 7.136 3.658 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.295 8.912 2.147 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.277 7.235 3.191 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.614 9.014 1.673 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.625 8.194 2.214 1.00 0.00 C ATOM 1024 OH TYR A 95 5.912 8.332 1.797 1.00 0.00 O ATOM 0 H TYR A 95 -1.531 8.796 5.209 1.00 0.00 H new ATOM 0 HA TYR A 95 0.798 6.959 5.549 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.048 7.060 3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.002 8.810 3.279 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.702 6.399 4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.529 9.549 1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.034 6.572 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.853 9.722 0.893 1.00 0.00 H new ATOM 0 HH TYR A 95 6.031 9.216 1.391 1.00 0.00 H new ATOM 1034 N GLU A 96 2.293 9.145 5.954 1.00 0.00 N ATOM 1035 CA GLU A 96 3.001 10.322 6.436 1.00 0.00 C ATOM 1036 C GLU A 96 4.410 10.272 5.879 1.00 0.00 C ATOM 1037 O GLU A 96 5.219 9.482 6.377 1.00 0.00 O ATOM 1038 CB GLU A 96 3.060 10.390 7.973 1.00 0.00 C ATOM 1039 CG GLU A 96 3.790 11.677 8.402 1.00 0.00 C ATOM 1040 CD GLU A 96 4.196 11.661 9.871 1.00 0.00 C ATOM 1041 OE1 GLU A 96 3.321 11.782 10.752 1.00 0.00 O ATOM 1042 OE2 GLU A 96 5.423 11.585 10.117 1.00 0.00 O ATOM 0 H GLU A 96 2.910 8.387 5.664 1.00 0.00 H new ATOM 0 HA GLU A 96 2.465 11.210 6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.052 10.376 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.579 9.516 8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.679 11.808 7.785 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.144 12.535 8.217 1.00 0.00 H new ATOM 1049 N GLY A 97 4.732 11.130 4.907 1.00 0.00 N ATOM 1050 CA GLY A 97 6.161 11.136 4.549 1.00 0.00 C ATOM 1051 C GLY A 97 6.668 11.906 3.342 1.00 0.00 C ATOM 1052 O GLY A 97 7.793 11.637 2.938 1.00 0.00 O ATOM 0 H GLY A 97 4.111 11.762 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.704 11.511 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.459 10.097 4.411 1.00 0.00 H new ATOM 1056 N ILE A 98 5.888 12.817 2.772 1.00 0.00 N ATOM 1057 CA ILE A 98 5.907 13.235 1.385 1.00 0.00 C ATOM 1058 C ILE A 98 5.668 12.032 0.467 1.00 0.00 C ATOM 1059 O ILE A 98 6.022 10.883 0.744 1.00 0.00 O ATOM 1060 CB ILE A 98 7.127 14.133 1.091 1.00 0.00 C ATOM 1061 CG1 ILE A 98 6.726 15.494 0.479 1.00 0.00 C ATOM 1062 CG2 ILE A 98 8.235 13.459 0.274 1.00 0.00 C ATOM 1063 CD1 ILE A 98 6.052 15.456 -0.901 1.00 0.00 C ATOM 0 H ILE A 98 5.178 13.315 3.309 1.00 0.00 H new ATOM 0 HA ILE A 98 5.071 13.897 1.159 1.00 0.00 H new ATOM 0 HB ILE A 98 7.562 14.320 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.052 15.994 1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.622 16.111 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.051 14.164 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.607 12.589 0.814 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.836 13.144 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.820 16.472 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.726 14.994 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.131 14.875 -0.840 1.00 0.00 H new ATOM 1075 N LEU A 99 4.951 12.297 -0.615 1.00 0.00 N ATOM 1076 CA LEU A 99 4.595 11.309 -1.614 1.00 0.00 C ATOM 1077 C LEU A 99 5.651 11.297 -2.720 1.00 0.00 C ATOM 1078 O LEU A 99 6.426 12.256 -2.853 1.00 0.00 O ATOM 1079 CB LEU A 99 3.173 11.624 -2.119 1.00 0.00 C ATOM 1080 CG LEU A 99 2.115 11.090 -1.134 1.00 0.00 C ATOM 1081 CD1 LEU A 99 0.757 11.763 -1.348 1.00 0.00 C ATOM 1082 CD2 LEU A 99 1.958 9.568 -1.263 1.00 0.00 C ATOM 0 H LEU A 99 4.593 13.229 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 99 4.579 10.301 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.055 12.701 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.023 11.175 -3.101 1.00 0.00 H new ATOM 0 HG LEU A 99 2.467 11.328 -0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.036 11.362 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.856 12.838 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.411 11.569 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.205 9.219 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.647 9.319 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.911 9.084 -1.047 1.00 0.00 H new ATOM 1094 N PRO A 100 5.703 10.234 -3.541 1.00 0.00 N ATOM 1095 CA PRO A 100 6.462 10.270 -4.781 1.00 0.00 C ATOM 1096 C PRO A 100 5.909 11.417 -5.624 1.00 0.00 C ATOM 1097 O PRO A 100 4.697 11.657 -5.609 1.00 0.00 O ATOM 1098 CB PRO A 100 6.227 8.919 -5.472 1.00 0.00 C ATOM 1099 CG PRO A 100 5.521 8.052 -4.436 1.00 0.00 C ATOM 1100 CD PRO A 100 4.874 9.043 -3.481 1.00 0.00 C ATOM 0 HA PRO A 100 7.529 10.428 -4.627 1.00 0.00 H new ATOM 0 HB2 PRO A 100 5.617 9.037 -6.367 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.169 8.469 -5.785 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.776 7.406 -4.901 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.226 7.403 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.849 9.263 -3.778 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.834 8.643 -2.468 1.00 0.00 H new ATOM 1108 N ASP A 101 6.739 12.080 -6.430 1.00 0.00 N ATOM 1109 CA ASP A 101 6.197 13.048 -7.395 1.00 0.00 C ATOM 1110 C ASP A 101 5.354 12.341 -8.457 1.00 0.00 C ATOM 1111 O ASP A 101 4.566 12.975 -9.157 1.00 0.00 O ATOM 1112 CB ASP A 101 7.298 13.860 -8.087 1.00 0.00 C ATOM 1113 CG ASP A 101 7.860 14.999 -7.240 1.00 0.00 C ATOM 1114 OD1 ASP A 101 7.264 15.405 -6.218 1.00 0.00 O ATOM 1115 OD2 ASP A 101 8.957 15.487 -7.591 1.00 0.00 O ATOM 0 H ASP A 101 7.753 11.974 -6.440 1.00 0.00 H new ATOM 0 HA ASP A 101 5.573 13.736 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.112 13.189 -8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.901 14.273 -9.014 1.00 0.00 H new ATOM 1120 N LEU A 102 5.531 11.025 -8.593 1.00 0.00 N ATOM 1121 CA LEU A 102 4.806 10.185 -9.525 1.00 0.00 C ATOM 1122 C LEU A 102 3.363 9.943 -9.092 1.00 0.00 C ATOM 1123 O LEU A 102 2.542 9.749 -9.983 1.00 0.00 O ATOM 1124 CB LEU A 102 5.517 8.830 -9.684 1.00 0.00 C ATOM 1125 CG LEU A 102 6.656 8.881 -10.715 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.926 9.517 -10.150 1.00 0.00 C ATOM 1127 CD2 LEU A 102 6.998 7.473 -11.191 1.00 0.00 C ATOM 0 H LEU A 102 6.208 10.505 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 102 4.787 10.716 -10.477 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.918 8.518 -8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.791 8.075 -9.986 1.00 0.00 H new ATOM 0 HG LEU A 102 6.299 9.495 -11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.700 9.529 -10.918 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.712 10.538 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.273 8.938 -9.294 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.806 7.522 -11.921 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.313 6.868 -10.341 1.00 0.00 H new ATOM 0 HD23 LEU A 102 6.120 7.021 -11.652 1.00 0.00 H new ATOM 1139 N PHE A 103 3.062 9.909 -7.791 1.00 0.00 N ATOM 1140 CA PHE A 103 1.729 9.629 -7.270 1.00 0.00 C ATOM 1141 C PHE A 103 0.764 10.708 -7.756 1.00 0.00 C ATOM 1142 O PHE A 103 1.124 11.886 -7.725 1.00 0.00 O ATOM 1143 CB PHE A 103 1.821 9.611 -5.742 1.00 0.00 C ATOM 1144 CG PHE A 103 0.513 9.422 -5.006 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.325 10.529 -4.752 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.141 8.147 -4.545 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.525 10.367 -4.032 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -1.023 8.001 -3.788 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.856 9.101 -3.525 1.00 0.00 C ATOM 0 H PHE A 103 3.753 10.079 -7.060 1.00 0.00 H new ATOM 0 HA PHE A 103 1.357 8.666 -7.620 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.501 8.812 -5.447 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.269 10.548 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.044 11.508 -5.112 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.752 7.286 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.183 11.208 -3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.287 7.029 -3.399 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.750 8.973 -2.933 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.457 10.355 -8.177 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.505 11.307 -8.517 1.00 0.00 C ATOM 1161 C ARG A 104 -2.825 10.726 -8.047 1.00 0.00 C ATOM 1162 O ARG A 104 -2.929 9.531 -7.756 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.570 11.554 -10.035 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.264 11.990 -10.701 1.00 0.00 C ATOM 1165 CD ARG A 104 0.061 13.468 -10.453 1.00 0.00 C ATOM 1166 NE ARG A 104 1.093 13.973 -11.378 1.00 0.00 N ATOM 1167 CZ ARG A 104 0.894 14.801 -12.415 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -0.323 15.170 -12.786 1.00 0.00 N ATOM 1169 NH2 ARG A 104 1.943 15.268 -13.081 1.00 0.00 N ATOM 0 H ARG A 104 -0.742 9.382 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.295 12.262 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.912 10.639 -10.517 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.325 12.317 -10.227 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.554 11.374 -10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.331 11.812 -11.774 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.846 14.062 -10.564 1.00 0.00 H new ATOM 0 HD3 ARG A 104 0.402 13.596 -9.426 1.00 0.00 H new ATOM 0 HE ARG A 104 2.051 13.663 -11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.138 14.823 -12.279 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.445 15.801 -13.578 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.886 14.997 -12.803 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.806 15.898 -13.871 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.855 11.556 -8.070 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.223 11.081 -8.080 1.00 0.00 C ATOM 1185 C GLU A 105 -5.424 10.292 -9.370 1.00 0.00 C ATOM 1186 O GLU A 105 -5.055 10.755 -10.450 1.00 0.00 O ATOM 1187 CB GLU A 105 -6.172 12.288 -8.030 1.00 0.00 C ATOM 1188 CG GLU A 105 -6.133 13.002 -6.670 1.00 0.00 C ATOM 1189 CD GLU A 105 -6.950 14.298 -6.680 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -6.503 15.314 -7.250 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -8.083 14.295 -6.160 1.00 0.00 O ATOM 0 H GLU A 105 -3.764 12.572 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.431 10.445 -7.220 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.902 12.993 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.190 11.956 -8.235 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.520 12.335 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.099 13.227 -6.408 1.00 0.00 H new ATOM 1198 N GLY A 106 -6.018 9.109 -9.263 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.598 8.394 -10.397 1.00 0.00 C ATOM 1200 C GLY A 106 -5.623 7.447 -11.088 1.00 0.00 C ATOM 1201 O GLY A 106 -5.893 7.021 -12.212 1.00 0.00 O ATOM 0 H GLY A 106 -6.112 8.613 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.462 7.825 -10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.963 9.119 -11.124 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.497 7.116 -10.449 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.514 6.178 -10.979 1.00 0.00 C ATOM 1207 C GLN A 107 -3.302 5.005 -10.042 1.00 0.00 C ATOM 1208 O GLN A 107 -3.667 5.069 -8.866 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.195 6.878 -11.285 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.552 7.588 -10.093 1.00 0.00 C ATOM 1211 CD GLN A 107 -0.050 7.679 -10.295 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.720 7.290 -9.430 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.394 8.152 -11.445 1.00 0.00 N ATOM 0 H GLN A 107 -4.243 7.499 -9.538 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.911 5.784 -11.915 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.491 6.142 -11.674 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.363 7.608 -12.077 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.974 8.587 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.772 7.046 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.266 8.472 -12.154 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.397 8.198 -11.624 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.695 3.952 -10.588 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.308 2.756 -9.876 1.00 0.00 C ATOM 1224 C GLY A 108 -1.123 3.071 -8.976 1.00 0.00 C ATOM 1225 O GLY A 108 -0.099 3.577 -9.445 1.00 0.00 O ATOM 0 H GLY A 108 -2.454 3.917 -11.579 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.143 2.386 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.045 1.968 -10.581 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.271 2.797 -7.688 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.232 2.935 -6.681 1.00 0.00 C ATOM 1231 C VAL A 109 -0.181 1.601 -5.926 1.00 0.00 C ATOM 1232 O VAL A 109 -1.135 0.816 -5.932 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.449 4.181 -5.794 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -0.807 5.409 -6.648 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.412 3.942 -4.627 1.00 0.00 C ATOM 0 H VAL A 109 -2.153 2.459 -7.302 1.00 0.00 H new ATOM 0 HA VAL A 109 0.745 3.123 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 109 0.503 4.398 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.955 6.273 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.003 5.615 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.724 5.211 -7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.516 4.859 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.386 3.645 -5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.019 3.152 -3.987 1.00 0.00 H new ATOM 1245 N VAL A 110 0.910 1.364 -5.217 1.00 0.00 N ATOM 1246 CA VAL A 110 1.037 0.317 -4.226 1.00 0.00 C ATOM 1247 C VAL A 110 1.151 1.048 -2.893 1.00 0.00 C ATOM 1248 O VAL A 110 1.855 2.054 -2.774 1.00 0.00 O ATOM 1249 CB VAL A 110 2.212 -0.607 -4.609 1.00 0.00 C ATOM 1250 CG1 VAL A 110 2.878 -1.312 -3.427 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.701 -1.691 -5.567 1.00 0.00 C ATOM 0 H VAL A 110 1.760 1.917 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 110 0.190 -0.366 -4.160 1.00 0.00 H new ATOM 0 HB VAL A 110 2.963 0.041 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.692 -1.940 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.274 -0.568 -2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.144 -1.932 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.524 -2.349 -5.844 1.00 0.00 H new ATOM 0 HG22 VAL A 110 0.921 -2.272 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.294 -1.222 -6.463 1.00 0.00 H new ATOM 1261 N VAL A 111 0.414 0.591 -1.890 1.00 0.00 N ATOM 1262 CA VAL A 111 0.649 0.938 -0.502 1.00 0.00 C ATOM 1263 C VAL A 111 1.227 -0.292 0.184 1.00 0.00 C ATOM 1264 O VAL A 111 1.088 -1.425 -0.266 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.670 1.467 0.096 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.980 1.066 1.539 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.689 2.988 0.005 1.00 0.00 C ATOM 0 H VAL A 111 -0.375 -0.041 -2.024 1.00 0.00 H new ATOM 0 HA VAL A 111 1.375 1.740 -0.367 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.445 0.991 -0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.933 1.501 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.038 -0.020 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.190 1.431 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.620 3.366 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.154 3.396 0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.614 3.291 -1.039 1.00 0.00 H new ATOM 1277 N GLN A 112 1.866 -0.064 1.314 1.00 0.00 N ATOM 1278 CA GLN A 112 2.259 -1.061 2.285 1.00 0.00 C ATOM 1279 C GLN A 112 2.452 -0.332 3.575 1.00 0.00 C ATOM 1280 O GLN A 112 2.749 0.867 3.576 1.00 0.00 O ATOM 1281 CB GLN A 112 3.540 -1.783 1.829 1.00 0.00 C ATOM 1282 CG GLN A 112 4.366 -2.503 2.889 1.00 0.00 C ATOM 1283 CD GLN A 112 5.410 -3.399 2.225 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.863 -3.185 1.103 1.00 0.00 O ATOM 1285 NE2 GLN A 112 5.756 -4.477 2.888 1.00 0.00 N ATOM 0 H GLN A 112 2.140 0.878 1.594 1.00 0.00 H new ATOM 0 HA GLN A 112 1.503 -1.838 2.399 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.261 -2.513 1.069 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.184 -1.049 1.344 1.00 0.00 H new ATOM 0 HG2 GLN A 112 4.858 -1.775 3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 112 3.713 -3.102 3.524 1.00 0.00 H new ATOM 0 HE21 GLN A 112 5.375 -4.647 3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 112 6.406 -5.145 2.473 1.00 0.00 H new ATOM 1294 N GLY A 113 2.219 -1.070 4.644 1.00 0.00 N ATOM 1295 CA GLY A 113 2.054 -0.524 5.952 1.00 0.00 C ATOM 1296 C GLY A 113 1.246 -1.546 6.718 1.00 0.00 C ATOM 1297 O GLY A 113 1.420 -2.737 6.471 1.00 0.00 O ATOM 0 H GLY A 113 2.140 -2.086 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.019 -0.349 6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.538 0.436 5.914 1.00 0.00 H new ATOM 1301 N GLU A 114 0.377 -1.123 7.619 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.274 -2.015 8.565 1.00 0.00 C ATOM 1303 C GLU A 114 -1.776 -1.860 8.453 1.00 0.00 C ATOM 1304 O GLU A 114 -2.262 -0.865 7.931 1.00 0.00 O ATOM 1305 CB GLU A 114 0.274 -1.716 9.966 1.00 0.00 C ATOM 1306 CG GLU A 114 1.583 -2.490 10.185 1.00 0.00 C ATOM 1307 CD GLU A 114 2.541 -1.863 11.191 1.00 0.00 C ATOM 1308 OE1 GLU A 114 2.105 -1.335 12.237 1.00 0.00 O ATOM 1309 OE2 GLU A 114 3.766 -1.938 10.917 1.00 0.00 O ATOM 0 H GLU A 114 0.101 -0.146 7.716 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.059 -3.061 8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.450 -0.646 10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.458 -1.999 10.722 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.340 -3.499 10.518 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.096 -2.585 9.228 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.518 -2.869 8.883 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.974 -2.812 8.912 1.00 0.00 C ATOM 1318 C LEU A 115 -4.414 -2.131 10.207 1.00 0.00 C ATOM 1319 O LEU A 115 -3.816 -2.375 11.255 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.476 -4.241 8.726 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.974 -4.430 8.466 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -6.535 -3.550 7.346 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.266 -5.878 8.068 1.00 0.00 C ATOM 0 H LEU A 115 -2.130 -3.750 9.221 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.407 -2.211 8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.930 -4.685 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.214 -4.810 9.618 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.453 -4.147 9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.601 -3.747 7.228 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.386 -2.500 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.019 -3.776 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.334 -5.997 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.714 -6.124 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.958 -6.546 8.873 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.398 -1.237 10.134 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.916 -0.500 11.288 1.00 0.00 C ATOM 1337 C GLU A 116 -6.972 -1.356 11.975 1.00 0.00 C ATOM 1338 O GLU A 116 -6.781 -1.811 13.106 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.498 0.858 10.840 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.373 1.945 11.916 1.00 0.00 C ATOM 1341 CD GLU A 116 -7.482 2.008 12.969 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.333 1.105 13.068 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -7.634 3.087 13.594 1.00 0.00 O ATOM 0 H GLU A 116 -5.866 -1.000 9.259 1.00 0.00 H new ATOM 0 HA GLU A 116 -5.111 -0.291 11.993 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.985 1.187 9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.549 0.730 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.423 1.804 12.432 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.324 2.913 11.417 1.00 0.00 H new ATOM 1350 N LYS A 117 -8.062 -1.560 11.231 1.00 0.00 N ATOM 1351 CA LYS A 117 -9.267 -2.344 11.407 1.00 0.00 C ATOM 1352 C LYS A 117 -9.873 -2.434 10.023 1.00 0.00 C ATOM 1353 O LYS A 117 -9.670 -1.519 9.221 1.00 0.00 O ATOM 1354 CB LYS A 117 -10.253 -1.622 12.322 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.902 -1.849 13.794 1.00 0.00 C ATOM 1356 CD LYS A 117 -11.009 -1.339 14.703 1.00 0.00 C ATOM 1357 CE LYS A 117 -11.008 0.185 14.632 1.00 0.00 C ATOM 1358 NZ LYS A 117 -11.797 0.755 15.727 1.00 0.00 N ATOM 0 H LYS A 117 -8.114 -1.085 10.330 1.00 0.00 H new ATOM 0 HA LYS A 117 -9.049 -3.315 11.851 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -10.243 -0.554 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -11.264 -1.979 12.126 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.740 -2.912 13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.968 -1.340 14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.974 -1.735 14.388 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.846 -1.674 15.728 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -9.984 0.556 14.684 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.417 0.510 13.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -11.784 1.793 15.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.778 0.416 15.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.390 0.461 16.638 1.00 0.00 H new ATOM 1372 N GLY A 118 -10.663 -3.472 9.771 1.00 0.00 N ATOM 1373 CA GLY A 118 -11.512 -3.575 8.607 1.00 0.00 C ATOM 1374 C GLY A 118 -10.641 -3.595 7.379 1.00 0.00 C ATOM 1375 O GLY A 118 -10.110 -4.657 7.042 1.00 0.00 O ATOM 0 H GLY A 118 -10.727 -4.280 10.390 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -12.116 -4.481 8.658 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.203 -2.733 8.567 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.487 -2.447 6.719 1.00 0.00 N ATOM 1380 CA ASN A 119 -9.690 -2.357 5.516 1.00 0.00 C ATOM 1381 C ASN A 119 -8.811 -1.109 5.445 1.00 0.00 C ATOM 1382 O ASN A 119 -8.101 -0.958 4.455 1.00 0.00 O ATOM 1383 CB ASN A 119 -10.567 -2.524 4.254 1.00 0.00 C ATOM 1384 CG ASN A 119 -11.837 -3.368 4.365 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -11.762 -4.653 4.656 1.00 0.00 O flip ATOM 1386 ND2 ASN A 119 -12.934 -2.884 4.130 1.00 0.00 N flip ATOM 0 H ASN A 119 -10.911 -1.565 7.008 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.989 -3.191 5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -10.857 -1.529 3.915 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -9.945 -2.959 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -13.016 -1.893 3.903 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.768 -3.471 4.161 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.802 -0.241 6.460 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.950 0.947 6.458 1.00 0.00 C ATOM 1395 C HIS A 120 -6.484 0.534 6.631 1.00 0.00 C ATOM 1396 O HIS A 120 -6.132 -0.119 7.612 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.392 1.900 7.573 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.526 3.144 7.778 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.528 3.994 8.875 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.597 3.654 6.903 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.633 4.976 8.634 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -6.060 4.809 7.441 1.00 0.00 N ATOM 0 H HIS A 120 -9.378 -0.341 7.296 1.00 0.00 H new ATOM 0 HA HIS A 120 -8.046 1.467 5.505 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.412 2.223 7.364 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.419 1.343 8.510 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.102 3.895 9.712 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.330 3.223 5.950 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.412 5.785 9.314 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.627 0.950 5.701 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.195 0.704 5.698 1.00 0.00 C ATOM 1412 C ILE A 121 -3.439 1.920 6.249 1.00 0.00 C ATOM 1413 O ILE A 121 -3.465 3.011 5.675 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.720 0.381 4.264 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.675 -0.512 3.441 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.311 -0.230 4.336 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.766 -1.948 3.948 1.00 0.00 C ATOM 0 H ILE A 121 -5.931 1.493 4.893 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.985 -0.150 6.342 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.709 1.325 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.671 -0.069 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.342 -0.524 2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.964 -0.463 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.629 0.482 4.800 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.340 -1.143 4.930 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.455 -2.513 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.779 -2.410 3.911 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.129 -1.949 4.976 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.654 1.727 7.297 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.658 2.673 7.763 1.00 0.00 C ATOM 1431 C LEU A 122 -0.449 2.531 6.863 1.00 0.00 C ATOM 1432 O LEU A 122 0.499 1.823 7.194 1.00 0.00 O ATOM 1433 CB LEU A 122 -1.276 2.348 9.213 1.00 0.00 C ATOM 1434 CG LEU A 122 -2.225 2.935 10.251 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -2.021 4.439 10.380 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -3.704 2.761 9.930 1.00 0.00 C ATOM 0 H LEU A 122 -2.696 0.880 7.863 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.042 3.693 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -1.245 1.265 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.269 2.720 9.405 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.984 2.385 11.161 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.709 4.837 11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.995 4.642 10.687 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.213 4.916 9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -4.303 3.209 10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.931 3.251 8.983 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -3.937 1.699 9.854 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.511 3.177 5.703 1.00 0.00 N ATOM 1449 CA ALA A 123 0.572 3.277 4.749 1.00 0.00 C ATOM 1450 C ALA A 123 1.841 3.769 5.451 1.00 0.00 C ATOM 1451 O ALA A 123 1.805 4.759 6.183 1.00 0.00 O ATOM 1452 CB ALA A 123 0.169 4.232 3.634 1.00 0.00 C ATOM 0 H ALA A 123 -1.354 3.662 5.396 1.00 0.00 H new ATOM 0 HA ALA A 123 0.778 2.297 4.319 1.00 0.00 H new ATOM 0 HB1 ALA A 123 0.981 4.312 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.724 3.854 3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.040 5.216 4.055 1.00 0.00 H new ATOM 1458 N LYS A 124 2.961 3.105 5.178 1.00 0.00 N ATOM 1459 CA LYS A 124 4.280 3.414 5.709 1.00 0.00 C ATOM 1460 C LYS A 124 5.193 3.982 4.624 1.00 0.00 C ATOM 1461 O LYS A 124 6.104 4.725 4.972 1.00 0.00 O ATOM 1462 CB LYS A 124 4.826 2.182 6.460 1.00 0.00 C ATOM 1463 CG LYS A 124 5.544 1.151 5.572 1.00 0.00 C ATOM 1464 CD LYS A 124 7.056 1.390 5.609 1.00 0.00 C ATOM 1465 CE LYS A 124 7.711 0.723 6.825 1.00 0.00 C ATOM 1466 NZ LYS A 124 9.181 0.874 6.826 1.00 0.00 N ATOM 0 H LYS A 124 2.971 2.300 4.551 1.00 0.00 H new ATOM 0 HA LYS A 124 4.223 4.215 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.518 2.521 7.231 1.00 0.00 H new ATOM 0 HB3 LYS A 124 3.998 1.688 6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.319 0.142 5.917 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.181 1.226 4.547 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.507 1.003 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.254 2.462 5.632 1.00 0.00 H new ATOM 0 HE2 LYS A 124 7.303 1.157 7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.457 -0.337 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.577 0.407 7.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.575 0.437 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.426 1.885 6.843 1.00 0.00 H new ATOM 1480 N GLU A 125 4.958 3.678 3.335 1.00 0.00 N ATOM 1481 CA GLU A 125 5.954 3.979 2.297 1.00 0.00 C ATOM 1482 C GLU A 125 5.410 4.520 0.969 1.00 0.00 C ATOM 1483 O GLU A 125 6.048 5.410 0.424 1.00 0.00 O ATOM 1484 CB GLU A 125 6.864 2.750 2.095 1.00 0.00 C ATOM 1485 CG GLU A 125 6.124 1.570 1.441 1.00 0.00 C ATOM 1486 CD GLU A 125 6.836 0.215 1.533 1.00 0.00 C ATOM 1487 OE1 GLU A 125 6.830 -0.403 2.622 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.304 -0.280 0.479 1.00 0.00 O ATOM 0 H GLU A 125 4.105 3.234 2.994 1.00 0.00 H new ATOM 0 HA GLU A 125 6.530 4.824 2.675 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.715 3.030 1.474 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.263 2.435 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.142 1.477 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 125 5.960 1.804 0.389 1.00 0.00 H new ATOM 1495 N VAL A 126 4.257 4.054 0.467 1.00 0.00 N ATOM 1496 CA VAL A 126 3.561 4.523 -0.749 1.00 0.00 C ATOM 1497 C VAL A 126 4.421 4.578 -2.027 1.00 0.00 C ATOM 1498 O VAL A 126 5.285 5.435 -2.205 1.00 0.00 O ATOM 1499 CB VAL A 126 2.852 5.868 -0.489 1.00 0.00 C ATOM 1500 CG1 VAL A 126 2.121 6.361 -1.746 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.775 5.735 0.580 1.00 0.00 C ATOM 0 H VAL A 126 3.752 3.294 0.923 1.00 0.00 H new ATOM 0 HA VAL A 126 2.819 3.753 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 126 3.636 6.559 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.631 7.311 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.839 6.497 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.374 5.626 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.297 6.702 0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.029 5.009 0.256 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.228 5.399 1.513 1.00 0.00 H new ATOM 1511 N LEU A 127 4.093 3.733 -3.006 1.00 0.00 N ATOM 1512 CA LEU A 127 4.861 3.546 -4.237 1.00 0.00 C ATOM 1513 C LEU A 127 3.914 3.660 -5.434 1.00 0.00 C ATOM 1514 O LEU A 127 2.717 3.466 -5.253 1.00 0.00 O ATOM 1515 CB LEU A 127 5.495 2.146 -4.192 1.00 0.00 C ATOM 1516 CG LEU A 127 6.428 1.862 -3.007 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.781 0.373 -2.967 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.711 2.676 -3.110 1.00 0.00 C ATOM 0 H LEU A 127 3.262 3.143 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 127 5.641 4.301 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.694 1.407 -4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 127 6.056 1.994 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 127 5.906 2.146 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.443 0.179 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.869 -0.214 -2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.282 0.093 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.352 2.454 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.232 2.419 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.468 3.739 -3.115 1.00 0.00 H new ATOM 1530 N ALA A 128 4.360 4.034 -6.639 1.00 0.00 N ATOM 1531 CA ALA A 128 3.460 4.437 -7.740 1.00 0.00 C ATOM 1532 C ALA A 128 3.588 3.505 -8.955 1.00 0.00 C ATOM 1533 O ALA A 128 3.543 3.936 -10.110 1.00 0.00 O ATOM 1534 CB ALA A 128 3.608 5.932 -8.060 1.00 0.00 C ATOM 0 H ALA A 128 5.350 4.068 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 128 2.429 4.314 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.934 6.198 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.360 6.520 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.636 6.140 -8.358 1.00 0.00 H new ATOM 1540 N LYS A 129 3.776 2.213 -8.665 1.00 0.00 N ATOM 1541 CA LYS A 129 4.055 1.114 -9.594 1.00 0.00 C ATOM 1542 C LYS A 129 5.060 1.509 -10.674 1.00 0.00 C ATOM 1543 O LYS A 129 4.909 1.170 -11.850 1.00 0.00 O ATOM 1544 CB LYS A 129 2.713 0.523 -10.065 1.00 0.00 C ATOM 1545 CG LYS A 129 2.198 -0.485 -9.015 1.00 0.00 C ATOM 1546 CD LYS A 129 2.643 -1.916 -9.339 1.00 0.00 C ATOM 1547 CE LYS A 129 1.867 -2.461 -10.548 1.00 0.00 C ATOM 1548 NZ LYS A 129 2.736 -3.178 -11.502 1.00 0.00 N ATOM 0 H LYS A 129 3.734 1.884 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 129 4.582 0.298 -9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 129 1.983 1.320 -10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 129 2.839 0.029 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.566 -0.204 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.110 -0.443 -8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.712 -1.932 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 129 2.478 -2.559 -8.474 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.083 -3.134 -10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.374 -1.635 -11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 2.165 -3.525 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.469 -2.531 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.188 -3.983 -11.023 1.00 0.00 H new