USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 423 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 26 GLN :FLIP amide:sc= -4.53! C(o=-7!,f=-4.4!) USER MOD Set 1.2: A 55 GLN :FLIP amide:sc= 0.134 F(o=-7!,f=-4.4) USER MOD Set 2.1: A 39 SER OG : rot -109:sc= 1.69 USER MOD Set 2.2: A 40 GLN : amide:sc= 1.33 K(o=3.7,f=0.042) USER MOD Set 2.3: A 43 ASN : amide:sc= 0.722 K(o=3.7,f=1.4) USER MOD Set 3.1: A 21 ASN : amide:sc= -0.106 K(o=-0.61,f=-5.5!) USER MOD Set 3.2: A 52 ASN :FLIP amide:sc= -0.504 F(o=-2.1,f=-0.61) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl -176:sc= 0 (180deg=-0.0364) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.421 K(o=0.42,f=-3!) USER MOD Single : A 24 ASN : amide:sc= 0.071 K(o=0.071,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 1.67 (180deg=-2.26!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -93:sc= 1.11 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 132:sc= 0.69 (180deg=0.331) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 7 -0.955 13.375 0.410 1.00 0.00 N ATOM 100 CA LYS A 7 -1.315 13.081 -0.984 1.00 0.00 C ATOM 101 C LYS A 7 -0.821 11.705 -1.445 1.00 0.00 C ATOM 102 O LYS A 7 -1.614 10.882 -1.922 1.00 0.00 O ATOM 103 CB LYS A 7 -0.756 14.167 -1.899 1.00 0.00 C ATOM 104 CG LYS A 7 -1.563 15.443 -1.667 1.00 0.00 C ATOM 105 CD LYS A 7 -1.181 16.506 -2.693 1.00 0.00 C ATOM 106 CE LYS A 7 -2.096 17.713 -2.503 1.00 0.00 C ATOM 107 NZ LYS A 7 -1.915 18.664 -3.638 1.00 0.00 N ATOM 0 HA LYS A 7 -2.403 13.065 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.299 14.339 -1.685 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.823 13.858 -2.942 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.629 15.225 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.381 15.818 -0.660 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.138 16.797 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.281 16.110 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.135 17.389 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.868 18.210 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.539 19.485 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.926 18.983 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.154 18.188 -4.531 1.00 0.00 H new ATOM 121 N GLU A 8 0.486 11.463 -1.314 1.00 0.00 N ATOM 122 CA GLU A 8 1.072 10.186 -1.742 1.00 0.00 C ATOM 123 C GLU A 8 0.505 9.015 -0.937 1.00 0.00 C ATOM 124 O GLU A 8 0.188 7.957 -1.502 1.00 0.00 O ATOM 125 CB GLU A 8 2.599 10.227 -1.574 1.00 0.00 C ATOM 126 CG GLU A 8 3.210 11.277 -2.528 1.00 0.00 C ATOM 127 CD GLU A 8 4.749 11.302 -2.442 1.00 0.00 C ATOM 128 OE1 GLU A 8 5.304 10.769 -1.488 1.00 0.00 O ATOM 129 OE2 GLU A 8 5.355 11.868 -3.338 1.00 0.00 O ATOM 0 H GLU A 8 1.154 12.125 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 8 0.818 10.038 -2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.853 10.470 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.022 9.244 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.907 11.058 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.816 12.263 -2.283 1.00 0.00 H new ATOM 136 N MET A 9 0.385 9.208 0.379 1.00 0.00 N ATOM 137 CA MET A 9 -0.134 8.158 1.258 1.00 0.00 C ATOM 138 C MET A 9 -1.578 7.817 0.907 1.00 0.00 C ATOM 139 O MET A 9 -1.931 6.643 0.838 1.00 0.00 O ATOM 140 CB MET A 9 -0.047 8.597 2.729 1.00 0.00 C ATOM 141 CG MET A 9 1.291 8.148 3.328 1.00 0.00 C ATOM 142 SD MET A 9 2.652 8.742 2.288 1.00 0.00 S ATOM 143 CE MET A 9 3.306 9.975 3.437 1.00 0.00 C ATOM 0 H MET A 9 0.638 10.074 0.856 1.00 0.00 H new ATOM 0 HA MET A 9 0.479 7.268 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.142 9.680 2.801 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.872 8.166 3.296 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.397 8.538 4.341 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.322 7.061 3.400 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.122 10.519 2.961 1.00 0.00 H new ATOM 0 HE2 MET A 9 2.515 10.673 3.711 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.677 9.477 4.333 1.00 0.00 H new ATOM 153 N ARG A 10 -2.403 8.846 0.688 1.00 0.00 N ATOM 154 CA ARG A 10 -3.816 8.642 0.349 1.00 0.00 C ATOM 155 C ARG A 10 -3.961 7.787 -0.914 1.00 0.00 C ATOM 156 O ARG A 10 -4.830 6.909 -0.981 1.00 0.00 O ATOM 157 CB ARG A 10 -4.501 10.003 0.143 1.00 0.00 C ATOM 158 CG ARG A 10 -6.014 9.813 -0.063 1.00 0.00 C ATOM 159 CD ARG A 10 -6.684 11.178 -0.262 1.00 0.00 C ATOM 160 NE ARG A 10 -8.141 11.024 -0.315 1.00 0.00 N ATOM 161 CZ ARG A 10 -8.961 12.072 -0.438 1.00 0.00 C ATOM 162 NH1 ARG A 10 -8.486 13.285 -0.524 1.00 0.00 N ATOM 163 NH2 ARG A 10 -10.249 11.880 -0.474 1.00 0.00 N ATOM 0 H ARG A 10 -2.119 9.824 0.739 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.295 8.114 1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.322 10.642 1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.070 10.508 -0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.196 9.178 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.447 9.307 0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.411 11.848 0.554 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.326 11.636 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.541 10.088 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.478 13.441 -0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.123 14.077 -0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.626 10.934 -0.408 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.881 12.675 -0.568 1.00 0.00 H new ATOM 177 N ASN A 11 -3.108 8.057 -1.908 1.00 0.00 N ATOM 178 CA ASN A 11 -3.147 7.319 -3.173 1.00 0.00 C ATOM 179 C ASN A 11 -2.887 5.822 -2.958 1.00 0.00 C ATOM 180 O ASN A 11 -3.714 4.985 -3.339 1.00 0.00 O ATOM 181 CB ASN A 11 -2.103 7.893 -4.141 1.00 0.00 C ATOM 182 CG ASN A 11 -2.246 7.248 -5.519 1.00 0.00 C ATOM 183 OD1 ASN A 11 -1.455 6.380 -5.887 1.00 0.00 O ATOM 184 ND2 ASN A 11 -3.215 7.623 -6.308 1.00 0.00 N ATOM 0 H ASN A 11 -2.387 8.777 -1.861 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.145 7.430 -3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.228 8.973 -4.223 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.100 7.717 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.317 7.197 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -3.871 8.342 -6.004 1.00 0.00 H new ATOM 191 N ALA A 12 -1.736 5.489 -2.355 1.00 0.00 N ATOM 192 CA ALA A 12 -1.387 4.080 -2.115 1.00 0.00 C ATOM 193 C ALA A 12 -2.295 3.450 -1.047 1.00 0.00 C ATOM 194 O ALA A 12 -2.559 2.249 -1.093 1.00 0.00 O ATOM 195 CB ALA A 12 0.090 3.948 -1.706 1.00 0.00 C ATOM 0 H ALA A 12 -1.042 6.162 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.542 3.539 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.327 2.898 -1.533 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.724 4.337 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.267 4.515 -0.792 1.00 0.00 H new ATOM 201 N TYR A 13 -2.770 4.264 -0.092 1.00 0.00 N ATOM 202 CA TYR A 13 -3.647 3.773 0.985 1.00 0.00 C ATOM 203 C TYR A 13 -4.892 3.091 0.410 1.00 0.00 C ATOM 204 O TYR A 13 -5.153 1.913 0.681 1.00 0.00 O ATOM 205 CB TYR A 13 -4.073 4.961 1.878 1.00 0.00 C ATOM 206 CG TYR A 13 -5.052 4.517 2.956 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.423 4.435 2.671 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.587 4.194 4.237 1.00 0.00 C ATOM 209 CE1 TYR A 13 -7.323 4.030 3.664 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.490 3.789 5.229 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.856 3.707 4.942 1.00 0.00 C ATOM 212 OH TYR A 13 -7.744 3.308 5.920 1.00 0.00 O ATOM 0 H TYR A 13 -2.563 5.262 -0.042 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.097 3.040 1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.192 5.404 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.532 5.735 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.785 4.685 1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.532 4.257 4.460 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.378 3.967 3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.130 3.540 6.216 1.00 0.00 H new ATOM 0 HH TYR A 13 -7.255 3.120 6.749 1.00 0.00 H new ATOM 222 N TRP A 14 -5.654 3.850 -0.372 1.00 0.00 N ATOM 223 CA TRP A 14 -6.880 3.342 -0.982 1.00 0.00 C ATOM 224 C TRP A 14 -6.588 2.237 -2.002 1.00 0.00 C ATOM 225 O TRP A 14 -7.299 1.228 -2.047 1.00 0.00 O ATOM 226 CB TRP A 14 -7.610 4.505 -1.657 1.00 0.00 C ATOM 227 CG TRP A 14 -8.961 4.066 -2.144 1.00 0.00 C ATOM 228 CD1 TRP A 14 -10.070 3.965 -1.372 1.00 0.00 C ATOM 229 CD2 TRP A 14 -9.364 3.673 -3.490 1.00 0.00 C ATOM 230 NE1 TRP A 14 -11.125 3.535 -2.158 1.00 0.00 N ATOM 231 CE2 TRP A 14 -10.740 3.342 -3.470 1.00 0.00 C ATOM 232 CE3 TRP A 14 -8.677 3.573 -4.714 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -11.410 2.926 -4.621 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -9.348 3.156 -5.875 1.00 0.00 C ATOM 235 CH2 TRP A 14 -10.712 2.833 -5.828 1.00 0.00 C ATOM 0 H TRP A 14 -5.444 4.822 -0.599 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.505 2.905 -0.203 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -7.721 5.330 -0.953 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.018 4.877 -2.494 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -10.122 4.184 -0.316 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -12.071 3.380 -1.811 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -7.626 3.819 -4.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -12.460 2.678 -4.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -8.811 3.084 -6.809 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -11.223 2.513 -6.724 1.00 0.00 H new ATOM 246 N GLU A 15 -5.558 2.446 -2.833 1.00 0.00 N ATOM 247 CA GLU A 15 -5.200 1.471 -3.869 1.00 0.00 C ATOM 248 C GLU A 15 -4.846 0.112 -3.255 1.00 0.00 C ATOM 249 O GLU A 15 -5.381 -0.918 -3.673 1.00 0.00 O ATOM 250 CB GLU A 15 -4.016 1.999 -4.692 1.00 0.00 C ATOM 251 CG GLU A 15 -3.770 1.093 -5.917 1.00 0.00 C ATOM 252 CD GLU A 15 -4.941 1.156 -6.915 1.00 0.00 C ATOM 253 OE1 GLU A 15 -5.526 2.220 -7.072 1.00 0.00 O ATOM 254 OE2 GLU A 15 -5.219 0.138 -7.530 1.00 0.00 O ATOM 0 H GLU A 15 -4.963 3.274 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.064 1.332 -4.519 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.218 3.019 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.120 2.035 -4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.850 1.397 -6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.628 0.064 -5.586 1.00 0.00 H new ATOM 261 N ILE A 16 -3.953 0.116 -2.263 1.00 0.00 N ATOM 262 CA ILE A 16 -3.544 -1.126 -1.597 1.00 0.00 C ATOM 263 C ILE A 16 -4.736 -1.767 -0.879 1.00 0.00 C ATOM 264 O ILE A 16 -4.965 -2.975 -0.997 1.00 0.00 O ATOM 265 CB ILE A 16 -2.410 -0.841 -0.589 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.149 -0.374 -1.344 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.080 -2.113 0.217 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.146 0.237 -0.359 1.00 0.00 C ATOM 0 H ILE A 16 -3.501 0.957 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.179 -1.820 -2.354 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.739 -0.059 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.693 -1.217 -1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.420 0.360 -2.103 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.279 -1.898 0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.966 -2.439 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.761 -2.902 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.742 0.564 -0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.602 1.091 0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.136 -0.510 0.383 1.00 0.00 H new ATOM 280 N ALA A 17 -5.478 -0.946 -0.130 1.00 0.00 N ATOM 281 CA ALA A 17 -6.637 -1.427 0.626 1.00 0.00 C ATOM 282 C ALA A 17 -7.667 -2.102 -0.287 1.00 0.00 C ATOM 283 O ALA A 17 -8.396 -2.995 0.152 1.00 0.00 O ATOM 284 CB ALA A 17 -7.296 -0.256 1.363 1.00 0.00 C ATOM 0 H ALA A 17 -5.297 0.053 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.284 -2.168 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.158 -0.618 1.924 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.578 0.192 2.050 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.622 0.492 0.640 1.00 0.00 H new ATOM 290 N LEU A 18 -7.726 -1.661 -1.549 1.00 0.00 N ATOM 291 CA LEU A 18 -8.679 -2.217 -2.516 1.00 0.00 C ATOM 292 C LEU A 18 -8.451 -3.719 -2.736 1.00 0.00 C ATOM 293 O LEU A 18 -9.414 -4.471 -2.909 1.00 0.00 O ATOM 294 CB LEU A 18 -8.557 -1.470 -3.856 1.00 0.00 C ATOM 295 CG LEU A 18 -9.672 -1.910 -4.828 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.037 -1.409 -4.329 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.394 -1.325 -6.222 1.00 0.00 C ATOM 0 H LEU A 18 -7.128 -0.924 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.682 -2.087 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.619 -0.395 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.581 -1.667 -4.300 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.689 -2.999 -4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.816 -1.725 -5.022 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.239 -1.825 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.025 -0.321 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.181 -1.635 -6.910 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.372 -0.237 -6.162 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.432 -1.688 -6.584 1.00 0.00 H new ATOM 309 N LEU A 19 -7.181 -4.150 -2.736 1.00 0.00 N ATOM 310 CA LEU A 19 -6.865 -5.569 -2.952 1.00 0.00 C ATOM 311 C LEU A 19 -7.435 -6.420 -1.799 1.00 0.00 C ATOM 312 O LEU A 19 -7.094 -6.197 -0.635 1.00 0.00 O ATOM 313 CB LEU A 19 -5.339 -5.745 -3.057 1.00 0.00 C ATOM 314 CG LEU A 19 -4.845 -5.596 -4.521 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.634 -4.520 -5.290 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.360 -5.208 -4.520 1.00 0.00 C ATOM 0 H LEU A 19 -6.370 -3.549 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.323 -5.906 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.843 -5.006 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.059 -6.727 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.998 -6.554 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.255 -4.450 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.690 -4.790 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.517 -3.557 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.011 -5.103 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.232 -4.262 -3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.782 -5.984 -4.018 1.00 0.00 H new ATOM 328 N PRO A 20 -8.319 -7.362 -2.104 1.00 0.00 N ATOM 329 CA PRO A 20 -8.986 -8.241 -1.084 1.00 0.00 C ATOM 330 C PRO A 20 -8.253 -9.545 -0.725 1.00 0.00 C ATOM 331 O PRO A 20 -8.481 -10.089 0.361 1.00 0.00 O ATOM 332 CB PRO A 20 -10.301 -8.571 -1.785 1.00 0.00 C ATOM 333 CG PRO A 20 -9.917 -8.715 -3.221 1.00 0.00 C ATOM 334 CD PRO A 20 -8.797 -7.702 -3.465 1.00 0.00 C ATOM 0 HA PRO A 20 -9.048 -7.732 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.742 -9.489 -1.396 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.037 -7.779 -1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.578 -9.729 -3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.768 -8.520 -3.873 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.999 -8.128 -4.074 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.164 -6.821 -3.991 1.00 0.00 H new ATOM 342 N ASN A 21 -7.433 -10.079 -1.641 1.00 0.00 N ATOM 343 CA ASN A 21 -6.756 -11.363 -1.403 1.00 0.00 C ATOM 344 C ASN A 21 -5.453 -11.232 -0.614 1.00 0.00 C ATOM 345 O ASN A 21 -4.808 -12.246 -0.323 1.00 0.00 O ATOM 346 CB ASN A 21 -6.501 -12.065 -2.748 1.00 0.00 C ATOM 347 CG ASN A 21 -5.628 -11.207 -3.660 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.234 -10.095 -3.300 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.317 -11.653 -4.843 1.00 0.00 N ATOM 0 H ASN A 21 -7.224 -9.649 -2.542 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.422 -11.963 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.016 -13.026 -2.574 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.452 -12.272 -3.239 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.749 -11.083 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.642 -12.572 -5.143 1.00 0.00 H new ATOM 356 N LEU A 22 -5.072 -10.007 -0.243 1.00 0.00 N ATOM 357 CA LEU A 22 -3.846 -9.821 0.539 1.00 0.00 C ATOM 358 C LEU A 22 -4.073 -10.301 1.965 1.00 0.00 C ATOM 359 O LEU A 22 -5.103 -9.988 2.571 1.00 0.00 O ATOM 360 CB LEU A 22 -3.412 -8.348 0.601 1.00 0.00 C ATOM 361 CG LEU A 22 -3.190 -7.767 -0.798 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.251 -6.234 -0.720 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.810 -8.177 -1.320 1.00 0.00 C ATOM 0 H LEU A 22 -5.579 -9.150 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.063 -10.396 0.044 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.172 -7.766 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.493 -8.263 1.181 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.961 -8.145 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.094 -5.813 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.228 -5.927 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.475 -5.873 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.659 -7.760 -2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.040 -7.799 -0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.748 -9.264 -1.369 1.00 0.00 H new ATOM 375 N ASN A 23 -3.097 -11.043 2.496 1.00 0.00 N ATOM 376 CA ASN A 23 -3.183 -11.554 3.877 1.00 0.00 C ATOM 377 C ASN A 23 -3.450 -10.398 4.853 1.00 0.00 C ATOM 378 O ASN A 23 -2.953 -9.288 4.655 1.00 0.00 O ATOM 379 CB ASN A 23 -1.879 -12.268 4.267 1.00 0.00 C ATOM 380 CG ASN A 23 -2.017 -12.911 5.650 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.612 -12.323 6.653 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.569 -14.088 5.762 1.00 0.00 N ATOM 0 H ASN A 23 -2.244 -11.304 2.001 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.006 -12.266 3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.639 -13.031 3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.054 -11.556 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.665 -14.521 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.905 -14.575 4.931 1.00 0.00 H new ATOM 389 N ASN A 24 -4.255 -10.672 5.888 1.00 0.00 N ATOM 390 CA ASN A 24 -4.624 -9.656 6.888 1.00 0.00 C ATOM 391 C ASN A 24 -3.406 -8.876 7.401 1.00 0.00 C ATOM 392 O ASN A 24 -3.481 -7.658 7.583 1.00 0.00 O ATOM 393 CB ASN A 24 -5.329 -10.330 8.073 1.00 0.00 C ATOM 394 CG ASN A 24 -6.629 -10.988 7.610 1.00 0.00 C ATOM 395 OD1 ASN A 24 -6.606 -12.091 7.065 1.00 0.00 O ATOM 396 ND2 ASN A 24 -7.765 -10.375 7.797 1.00 0.00 N ATOM 0 H ASN A 24 -4.665 -11.591 6.057 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.292 -8.947 6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.673 -11.078 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.542 -9.592 8.846 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.636 -10.810 7.491 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.783 -9.461 8.249 1.00 0.00 H new ATOM 403 N GLN A 25 -2.295 -9.580 7.630 1.00 0.00 N ATOM 404 CA GLN A 25 -1.073 -8.930 8.119 1.00 0.00 C ATOM 405 C GLN A 25 -0.465 -8.021 7.048 1.00 0.00 C ATOM 406 O GLN A 25 -0.022 -6.909 7.344 1.00 0.00 O ATOM 407 CB GLN A 25 -0.041 -9.991 8.533 1.00 0.00 C ATOM 408 CG GLN A 25 -0.558 -10.778 9.749 1.00 0.00 C ATOM 409 CD GLN A 25 0.435 -11.875 10.152 1.00 0.00 C ATOM 410 OE1 GLN A 25 1.208 -12.362 9.324 1.00 0.00 O ATOM 411 NE2 GLN A 25 0.455 -12.299 11.385 1.00 0.00 N ATOM 0 H GLN A 25 -2.214 -10.587 7.488 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.340 -8.320 8.982 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.148 -10.671 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.908 -9.513 8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.716 -10.099 10.587 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.524 -11.225 9.514 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.183 -11.898 12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.109 -13.031 11.662 1.00 0.00 H new ATOM 420 N GLN A 26 -0.434 -8.518 5.810 1.00 0.00 N ATOM 421 CA GLN A 26 0.140 -7.775 4.683 1.00 0.00 C ATOM 422 C GLN A 26 -0.633 -6.486 4.383 1.00 0.00 C ATOM 423 O GLN A 26 -0.027 -5.468 4.030 1.00 0.00 O ATOM 424 CB GLN A 26 0.159 -8.673 3.437 1.00 0.00 C ATOM 425 CG GLN A 26 1.103 -9.866 3.673 1.00 0.00 C ATOM 426 CD GLN A 26 1.067 -10.830 2.487 1.00 0.00 C ATOM 427 OE1 GLN A 26 -0.079 -11.160 1.953 1.00 0.00 O flip ATOM 428 NE2 GLN A 26 2.111 -11.300 2.039 1.00 0.00 N flip ATOM 0 H GLN A 26 -0.801 -9.436 5.560 1.00 0.00 H new ATOM 0 HA GLN A 26 1.155 -7.488 4.957 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.847 -9.031 3.219 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.489 -8.101 2.570 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.121 -9.506 3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.812 -10.391 4.583 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.006 -11.043 2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.082 -11.947 1.251 1.00 0.00 H new ATOM 437 N LYS A 27 -1.967 -6.537 4.512 1.00 0.00 N ATOM 438 CA LYS A 27 -2.816 -5.366 4.236 1.00 0.00 C ATOM 439 C LYS A 27 -2.397 -4.163 5.086 1.00 0.00 C ATOM 440 O LYS A 27 -2.115 -3.085 4.557 1.00 0.00 O ATOM 441 CB LYS A 27 -4.284 -5.705 4.536 1.00 0.00 C ATOM 442 CG LYS A 27 -4.793 -6.763 3.549 1.00 0.00 C ATOM 443 CD LYS A 27 -6.213 -7.210 3.947 1.00 0.00 C ATOM 444 CE LYS A 27 -7.197 -6.893 2.816 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.000 -7.860 1.695 1.00 0.00 N ATOM 0 H LYS A 27 -2.479 -7.369 4.803 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.698 -5.107 3.184 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.379 -6.074 5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.895 -4.805 4.464 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.800 -6.356 2.538 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.120 -7.621 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.221 -8.279 4.158 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.521 -6.702 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.221 -6.951 3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.043 -5.874 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.909 -7.339 0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.136 -8.415 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.818 -8.500 1.641 1.00 0.00 H new ATOM 459 N ARG A 28 -2.362 -4.369 6.402 1.00 0.00 N ATOM 460 CA ARG A 28 -1.980 -3.310 7.339 1.00 0.00 C ATOM 461 C ARG A 28 -0.477 -3.014 7.270 1.00 0.00 C ATOM 462 O ARG A 28 -0.053 -1.882 7.513 1.00 0.00 O ATOM 463 CB ARG A 28 -2.354 -3.721 8.774 1.00 0.00 C ATOM 464 CG ARG A 28 -3.883 -3.847 8.904 1.00 0.00 C ATOM 465 CD ARG A 28 -4.268 -4.126 10.365 1.00 0.00 C ATOM 466 NE ARG A 28 -3.655 -5.374 10.830 1.00 0.00 N ATOM 467 CZ ARG A 28 -3.836 -5.833 12.072 1.00 0.00 C ATOM 468 NH1 ARG A 28 -4.576 -5.177 12.925 1.00 0.00 N ATOM 469 NH2 ARG A 28 -3.271 -6.947 12.436 1.00 0.00 N ATOM 0 H ARG A 28 -2.593 -5.258 6.844 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.520 -2.406 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.880 -4.670 9.024 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.980 -2.981 9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.362 -2.929 8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.245 -4.652 8.264 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.945 -3.298 10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.352 -4.191 10.455 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.072 -5.908 10.186 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.024 -4.304 12.646 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.706 -5.538 13.870 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.693 -7.466 11.775 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.406 -7.302 13.383 1.00 0.00 H new ATOM 483 N ALA A 29 0.319 -4.046 6.974 1.00 0.00 N ATOM 484 CA ALA A 29 1.779 -3.908 6.919 1.00 0.00 C ATOM 485 C ALA A 29 2.240 -2.832 5.927 1.00 0.00 C ATOM 486 O ALA A 29 3.064 -1.983 6.284 1.00 0.00 O ATOM 487 CB ALA A 29 2.414 -5.252 6.545 1.00 0.00 C ATOM 0 H ALA A 29 -0.022 -4.985 6.769 1.00 0.00 H new ATOM 0 HA ALA A 29 2.105 -3.595 7.911 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.498 -5.144 6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.151 -6.000 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.045 -5.570 5.570 1.00 0.00 H new ATOM 493 N PHE A 30 1.738 -2.877 4.685 1.00 0.00 N ATOM 494 CA PHE A 30 2.154 -1.897 3.671 1.00 0.00 C ATOM 495 C PHE A 30 1.798 -0.460 4.076 1.00 0.00 C ATOM 496 O PHE A 30 2.675 0.407 4.113 1.00 0.00 O ATOM 497 CB PHE A 30 1.521 -2.228 2.314 1.00 0.00 C ATOM 498 CG PHE A 30 2.245 -3.406 1.689 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.596 -3.286 1.334 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.571 -4.613 1.458 1.00 0.00 C ATOM 501 CE1 PHE A 30 4.270 -4.362 0.752 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.248 -5.691 0.876 1.00 0.00 C ATOM 503 CZ PHE A 30 3.599 -5.564 0.523 1.00 0.00 C ATOM 0 H PHE A 30 1.058 -3.565 4.362 1.00 0.00 H new ATOM 0 HA PHE A 30 3.239 -1.960 3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.464 -2.464 2.442 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.577 -1.362 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.118 -2.357 1.511 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.530 -4.711 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.310 -4.264 0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.729 -6.622 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.120 -6.396 0.074 1.00 0.00 H new ATOM 513 N ILE A 31 0.517 -0.212 4.368 1.00 0.00 N ATOM 514 CA ILE A 31 0.066 1.129 4.760 1.00 0.00 C ATOM 515 C ILE A 31 0.840 1.643 5.988 1.00 0.00 C ATOM 516 O ILE A 31 1.185 2.827 6.046 1.00 0.00 O ATOM 517 CB ILE A 31 -1.464 1.133 4.994 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.169 0.916 3.627 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.901 2.475 5.614 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.705 0.959 3.757 1.00 0.00 C ATOM 0 H ILE A 31 -0.221 -0.915 4.341 1.00 0.00 H new ATOM 0 HA ILE A 31 0.280 1.820 3.944 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.739 0.335 5.683 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.843 1.683 2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.867 -0.045 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.979 2.468 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.393 2.618 6.568 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.640 3.290 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.158 0.803 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.035 0.175 4.438 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.010 1.930 4.147 1.00 0.00 H new ATOM 532 N ARG A 32 1.137 0.761 6.950 1.00 0.00 N ATOM 533 CA ARG A 32 1.908 1.173 8.129 1.00 0.00 C ATOM 534 C ARG A 32 3.329 1.560 7.701 1.00 0.00 C ATOM 535 O ARG A 32 3.880 2.574 8.156 1.00 0.00 O ATOM 536 CB ARG A 32 1.962 0.036 9.164 1.00 0.00 C ATOM 537 CG ARG A 32 0.586 -0.143 9.832 1.00 0.00 C ATOM 538 CD ARG A 32 0.397 0.894 10.949 1.00 0.00 C ATOM 539 NE ARG A 32 1.353 0.659 12.037 1.00 0.00 N ATOM 540 CZ ARG A 32 1.191 -0.327 12.926 1.00 0.00 C ATOM 541 NH1 ARG A 32 0.165 -1.130 12.855 1.00 0.00 N ATOM 542 NH2 ARG A 32 2.068 -0.486 13.875 1.00 0.00 N ATOM 0 H ARG A 32 0.862 -0.221 6.938 1.00 0.00 H new ATOM 0 HA ARG A 32 1.419 2.033 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.262 -0.893 8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.715 0.258 9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.204 -0.035 9.088 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.502 -1.149 10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.534 1.898 10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.621 0.841 11.334 1.00 0.00 H new ATOM 0 HE ARG A 32 2.168 1.267 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.526 -1.010 12.115 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.054 -1.878 13.540 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.872 0.139 13.937 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.951 -1.236 14.557 1.00 0.00 H new ATOM 556 N SER A 33 3.903 0.751 6.799 1.00 0.00 N ATOM 557 CA SER A 33 5.247 1.006 6.280 1.00 0.00 C ATOM 558 C SER A 33 5.280 2.346 5.543 1.00 0.00 C ATOM 559 O SER A 33 6.311 3.023 5.523 1.00 0.00 O ATOM 560 CB SER A 33 5.675 -0.119 5.331 1.00 0.00 C ATOM 561 OG SER A 33 7.057 0.022 5.018 1.00 0.00 O ATOM 0 H SER A 33 3.456 -0.082 6.417 1.00 0.00 H new ATOM 0 HA SER A 33 5.942 1.042 7.119 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.494 -1.089 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.080 -0.085 4.419 1.00 0.00 H new ATOM 0 HG SER A 33 7.330 -0.698 4.412 1.00 0.00 H new ATOM 567 N LEU A 34 4.137 2.718 4.945 1.00 0.00 N ATOM 568 CA LEU A 34 4.021 3.983 4.210 1.00 0.00 C ATOM 569 C LEU A 34 4.463 5.145 5.105 1.00 0.00 C ATOM 570 O LEU A 34 5.305 5.959 4.719 1.00 0.00 O ATOM 571 CB LEU A 34 2.553 4.204 3.771 1.00 0.00 C ATOM 572 CG LEU A 34 2.438 4.524 2.269 1.00 0.00 C ATOM 573 CD1 LEU A 34 3.441 5.622 1.864 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.681 3.243 1.451 1.00 0.00 C ATOM 0 H LEU A 34 3.283 2.161 4.957 1.00 0.00 H new ATOM 0 HA LEU A 34 4.660 3.940 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.970 3.311 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.122 5.021 4.349 1.00 0.00 H new ATOM 0 HG LEU A 34 1.434 4.896 2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.341 5.831 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.237 6.529 2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.456 5.283 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.600 3.469 0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.678 2.858 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.937 2.493 1.720 1.00 0.00 H new ATOM 586 N TYR A 35 3.888 5.188 6.310 1.00 0.00 N ATOM 587 CA TYR A 35 4.217 6.225 7.284 1.00 0.00 C ATOM 588 C TYR A 35 5.681 6.105 7.709 1.00 0.00 C ATOM 589 O TYR A 35 6.365 7.117 7.891 1.00 0.00 O ATOM 590 CB TYR A 35 3.302 6.097 8.513 1.00 0.00 C ATOM 591 CG TYR A 35 3.537 7.260 9.460 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.870 8.476 9.257 1.00 0.00 C ATOM 593 CD2 TYR A 35 4.424 7.122 10.539 1.00 0.00 C ATOM 594 CE1 TYR A 35 3.087 9.550 10.129 1.00 0.00 C ATOM 595 CE2 TYR A 35 4.640 8.197 11.409 1.00 0.00 C ATOM 596 CZ TYR A 35 3.972 9.411 11.204 1.00 0.00 C ATOM 597 OH TYR A 35 4.186 10.469 12.063 1.00 0.00 O ATOM 0 H TYR A 35 3.192 4.515 6.632 1.00 0.00 H new ATOM 0 HA TYR A 35 4.064 7.201 6.825 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.258 6.078 8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.498 5.155 9.025 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.188 8.585 8.427 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.940 6.187 10.698 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.571 10.486 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.322 8.090 12.239 1.00 0.00 H new ATOM 0 HH TYR A 35 4.828 10.204 12.755 1.00 0.00 H new ATOM 607 N ASP A 36 6.146 4.859 7.877 1.00 0.00 N ATOM 608 CA ASP A 36 7.530 4.604 8.296 1.00 0.00 C ATOM 609 C ASP A 36 8.538 5.244 7.334 1.00 0.00 C ATOM 610 O ASP A 36 9.574 5.752 7.773 1.00 0.00 O ATOM 611 CB ASP A 36 7.786 3.094 8.383 1.00 0.00 C ATOM 612 CG ASP A 36 9.157 2.832 9.010 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.238 2.824 10.228 1.00 0.00 O ATOM 614 OD2 ASP A 36 10.106 2.646 8.265 1.00 0.00 O ATOM 0 H ASP A 36 5.588 4.018 7.730 1.00 0.00 H new ATOM 0 HA ASP A 36 7.666 5.056 9.279 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.007 2.618 8.979 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.741 2.651 7.388 1.00 0.00 H new ATOM 619 N ASP A 37 8.238 5.212 6.027 1.00 0.00 N ATOM 620 CA ASP A 37 9.141 5.795 5.025 1.00 0.00 C ATOM 621 C ASP A 37 8.405 6.043 3.685 1.00 0.00 C ATOM 622 O ASP A 37 8.156 5.090 2.937 1.00 0.00 O ATOM 623 CB ASP A 37 10.348 4.855 4.799 1.00 0.00 C ATOM 624 CG ASP A 37 11.659 5.589 5.097 1.00 0.00 C ATOM 625 OD1 ASP A 37 12.093 5.551 6.238 1.00 0.00 O ATOM 626 OD2 ASP A 37 12.209 6.181 4.180 1.00 0.00 O ATOM 0 H ASP A 37 7.390 4.795 5.644 1.00 0.00 H new ATOM 0 HA ASP A 37 9.493 6.756 5.400 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.260 3.979 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.350 4.497 3.770 1.00 0.00 H new ATOM 631 N PRO A 38 8.060 7.289 3.351 1.00 0.00 N ATOM 632 CA PRO A 38 7.351 7.598 2.064 1.00 0.00 C ATOM 633 C PRO A 38 8.218 7.269 0.848 1.00 0.00 C ATOM 634 O PRO A 38 7.713 7.160 -0.270 1.00 0.00 O ATOM 635 CB PRO A 38 7.062 9.104 2.143 1.00 0.00 C ATOM 636 CG PRO A 38 8.062 9.641 3.107 1.00 0.00 C ATOM 637 CD PRO A 38 8.300 8.532 4.128 1.00 0.00 C ATOM 0 HA PRO A 38 6.446 7.003 1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.163 9.577 1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.044 9.293 2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.988 9.909 2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.691 10.544 3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.313 8.566 4.529 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.619 8.614 4.975 1.00 0.00 H new ATOM 645 N SER A 39 9.525 7.124 1.084 1.00 0.00 N ATOM 646 CA SER A 39 10.471 6.817 0.013 1.00 0.00 C ATOM 647 C SER A 39 10.119 5.498 -0.676 1.00 0.00 C ATOM 648 O SER A 39 10.389 5.333 -1.870 1.00 0.00 O ATOM 649 CB SER A 39 11.895 6.738 0.581 1.00 0.00 C ATOM 650 OG SER A 39 12.006 5.606 1.439 1.00 0.00 O ATOM 0 H SER A 39 9.950 7.215 2.007 1.00 0.00 H new ATOM 0 HA SER A 39 10.414 7.615 -0.727 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.618 6.663 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.128 7.649 1.132 1.00 0.00 H new ATOM 0 HG SER A 39 12.073 5.906 2.370 1.00 0.00 H new ATOM 656 N GLN A 40 9.525 4.560 0.078 1.00 0.00 N ATOM 657 CA GLN A 40 9.153 3.256 -0.478 1.00 0.00 C ATOM 658 C GLN A 40 7.682 3.229 -0.909 1.00 0.00 C ATOM 659 O GLN A 40 7.202 2.202 -1.368 1.00 0.00 O ATOM 660 CB GLN A 40 9.397 2.147 0.567 1.00 0.00 C ATOM 661 CG GLN A 40 10.805 2.265 1.176 1.00 0.00 C ATOM 662 CD GLN A 40 11.879 2.200 0.088 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.967 1.212 -0.641 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.700 3.202 -0.066 1.00 0.00 N ATOM 0 H GLN A 40 9.295 4.681 1.064 1.00 0.00 H new ATOM 0 HA GLN A 40 9.774 3.082 -1.357 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.648 2.215 1.356 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.280 1.169 0.100 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.892 3.204 1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.962 1.462 1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.626 4.020 0.539 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.416 3.168 -0.791 1.00 0.00 H new ATOM 673 N SER A 41 6.968 4.351 -0.753 1.00 0.00 N ATOM 674 CA SER A 41 5.540 4.418 -1.117 1.00 0.00 C ATOM 675 C SER A 41 5.248 3.746 -2.462 1.00 0.00 C ATOM 676 O SER A 41 4.359 2.892 -2.556 1.00 0.00 O ATOM 677 CB SER A 41 5.082 5.877 -1.175 1.00 0.00 C ATOM 678 OG SER A 41 5.872 6.589 -2.121 1.00 0.00 O ATOM 0 H SER A 41 7.349 5.221 -0.380 1.00 0.00 H new ATOM 0 HA SER A 41 4.990 3.878 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.030 5.927 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.173 6.337 -0.191 1.00 0.00 H new ATOM 0 HG SER A 41 6.633 7.005 -1.665 1.00 0.00 H new ATOM 684 N ALA A 42 5.999 4.132 -3.487 1.00 0.00 N ATOM 685 CA ALA A 42 5.818 3.559 -4.818 1.00 0.00 C ATOM 686 C ALA A 42 6.138 2.063 -4.812 1.00 0.00 C ATOM 687 O ALA A 42 5.467 1.271 -5.483 1.00 0.00 O ATOM 688 CB ALA A 42 6.734 4.272 -5.818 1.00 0.00 C ATOM 0 H ALA A 42 6.735 4.835 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 42 4.777 3.693 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.595 3.841 -6.810 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.486 5.333 -5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.773 4.150 -5.511 1.00 0.00 H new ATOM 694 N ASN A 43 7.175 1.691 -4.054 1.00 0.00 N ATOM 695 CA ASN A 43 7.601 0.290 -3.965 1.00 0.00 C ATOM 696 C ASN A 43 6.572 -0.556 -3.220 1.00 0.00 C ATOM 697 O ASN A 43 6.192 -1.624 -3.688 1.00 0.00 O ATOM 698 CB ASN A 43 8.946 0.185 -3.230 1.00 0.00 C ATOM 699 CG ASN A 43 10.060 0.918 -3.980 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.901 1.310 -5.138 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.196 1.117 -3.374 1.00 0.00 N ATOM 0 H ASN A 43 7.733 2.337 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 43 7.701 -0.084 -4.984 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.847 0.602 -2.228 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.216 -0.865 -3.113 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.955 1.597 -3.858 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.327 0.792 -2.416 1.00 0.00 H new ATOM 708 N LEU A 44 6.145 -0.070 -2.054 1.00 0.00 N ATOM 709 CA LEU A 44 5.173 -0.778 -1.214 1.00 0.00 C ATOM 710 C LEU A 44 3.883 -1.061 -1.990 1.00 0.00 C ATOM 711 O LEU A 44 3.357 -2.174 -1.943 1.00 0.00 O ATOM 712 CB LEU A 44 4.845 0.073 0.012 1.00 0.00 C ATOM 713 CG LEU A 44 6.118 0.366 0.851 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.847 1.523 1.824 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.533 -0.870 1.656 1.00 0.00 C ATOM 0 H LEU A 44 6.459 0.819 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 44 5.611 -1.728 -0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.392 1.012 -0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.110 -0.443 0.630 1.00 0.00 H new ATOM 0 HG LEU A 44 6.922 0.634 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.744 1.724 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.574 2.416 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.030 1.252 2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.427 -0.643 2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.725 -1.153 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.743 -1.694 0.975 1.00 0.00 H new ATOM 727 N LEU A 45 3.393 -0.047 -2.716 1.00 0.00 N ATOM 728 CA LEU A 45 2.174 -0.196 -3.527 1.00 0.00 C ATOM 729 C LEU A 45 2.380 -1.313 -4.549 1.00 0.00 C ATOM 730 O LEU A 45 1.579 -2.251 -4.641 1.00 0.00 O ATOM 731 CB LEU A 45 1.861 1.136 -4.240 1.00 0.00 C ATOM 732 CG LEU A 45 0.842 0.941 -5.391 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.473 0.346 -4.864 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.553 2.297 -6.052 1.00 0.00 C ATOM 0 H LEU A 45 3.817 0.880 -2.759 1.00 0.00 H new ATOM 0 HA LEU A 45 1.332 -0.455 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.464 1.851 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.782 1.562 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 45 1.271 0.251 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.172 0.219 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.276 -0.622 -4.403 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.906 1.019 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.164 2.162 -6.862 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.139 2.982 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.478 2.711 -6.452 1.00 0.00 H new ATOM 746 N ALA A 46 3.478 -1.202 -5.294 1.00 0.00 N ATOM 747 CA ALA A 46 3.828 -2.204 -6.309 1.00 0.00 C ATOM 748 C ALA A 46 3.978 -3.582 -5.657 1.00 0.00 C ATOM 749 O ALA A 46 3.519 -4.593 -6.193 1.00 0.00 O ATOM 750 CB ALA A 46 5.142 -1.816 -6.995 1.00 0.00 C ATOM 0 H ALA A 46 4.142 -0.431 -5.217 1.00 0.00 H new ATOM 0 HA ALA A 46 3.032 -2.244 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.395 -2.564 -7.746 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.029 -0.844 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.938 -1.764 -6.253 1.00 0.00 H new ATOM 756 N GLU A 47 4.608 -3.591 -4.483 1.00 0.00 N ATOM 757 CA GLU A 47 4.813 -4.816 -3.721 1.00 0.00 C ATOM 758 C GLU A 47 3.469 -5.420 -3.319 1.00 0.00 C ATOM 759 O GLU A 47 3.301 -6.643 -3.328 1.00 0.00 O ATOM 760 CB GLU A 47 5.646 -4.507 -2.466 1.00 0.00 C ATOM 761 CG GLU A 47 7.137 -4.372 -2.834 1.00 0.00 C ATOM 762 CD GLU A 47 7.727 -5.735 -3.219 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.728 -6.624 -2.379 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.168 -5.874 -4.351 1.00 0.00 O ATOM 0 H GLU A 47 4.987 -2.755 -4.038 1.00 0.00 H new ATOM 0 HA GLU A 47 5.347 -5.536 -4.341 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.293 -3.584 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.516 -5.301 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.250 -3.674 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.689 -3.957 -1.991 1.00 0.00 H new ATOM 771 N ALA A 48 2.510 -4.554 -2.978 1.00 0.00 N ATOM 772 CA ALA A 48 1.179 -5.013 -2.591 1.00 0.00 C ATOM 773 C ALA A 48 0.513 -5.694 -3.781 1.00 0.00 C ATOM 774 O ALA A 48 -0.106 -6.750 -3.640 1.00 0.00 O ATOM 775 CB ALA A 48 0.326 -3.832 -2.117 1.00 0.00 C ATOM 0 H ALA A 48 2.631 -3.541 -2.963 1.00 0.00 H new ATOM 0 HA ALA A 48 1.271 -5.725 -1.770 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.664 -4.189 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.803 -3.360 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.231 -3.105 -2.924 1.00 0.00 H new ATOM 781 N LYS A 49 0.666 -5.080 -4.959 1.00 0.00 N ATOM 782 CA LYS A 49 0.094 -5.629 -6.184 1.00 0.00 C ATOM 783 C LYS A 49 0.735 -6.985 -6.493 1.00 0.00 C ATOM 784 O LYS A 49 0.072 -7.895 -6.998 1.00 0.00 O ATOM 785 CB LYS A 49 0.328 -4.665 -7.355 1.00 0.00 C ATOM 786 CG LYS A 49 -0.816 -4.793 -8.373 1.00 0.00 C ATOM 787 CD LYS A 49 -0.415 -4.121 -9.694 1.00 0.00 C ATOM 788 CE LYS A 49 -1.660 -3.575 -10.402 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.301 -3.160 -11.789 1.00 0.00 N ATOM 0 H LYS A 49 1.179 -4.208 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.979 -5.761 -6.044 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.387 -3.640 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.281 -4.887 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.046 -5.844 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.720 -4.329 -7.978 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.288 -3.311 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.094 -4.839 -10.337 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.439 -4.336 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.063 -2.726 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.145 -2.789 -12.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.571 -2.420 -11.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.936 -3.981 -12.313 1.00 0.00 H new ATOM 803 N LYS A 50 2.033 -7.102 -6.181 1.00 0.00 N ATOM 804 CA LYS A 50 2.777 -8.337 -6.414 1.00 0.00 C ATOM 805 C LYS A 50 2.144 -9.492 -5.641 1.00 0.00 C ATOM 806 O LYS A 50 1.919 -10.573 -6.196 1.00 0.00 O ATOM 807 CB LYS A 50 4.228 -8.141 -5.957 1.00 0.00 C ATOM 808 CG LYS A 50 5.094 -9.324 -6.417 1.00 0.00 C ATOM 809 CD LYS A 50 6.570 -9.042 -6.089 1.00 0.00 C ATOM 810 CE LYS A 50 6.839 -9.277 -4.595 1.00 0.00 C ATOM 811 NZ LYS A 50 8.177 -8.722 -4.239 1.00 0.00 N ATOM 0 H LYS A 50 2.586 -6.352 -5.766 1.00 0.00 H new ATOM 0 HA LYS A 50 2.753 -8.576 -7.477 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.623 -7.211 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.266 -8.053 -4.871 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.770 -10.239 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.973 -9.481 -7.489 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.212 -9.688 -6.687 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.818 -8.014 -6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.064 -8.800 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.804 -10.343 -4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.095 -8.144 -3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.843 -9.503 -4.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.527 -8.132 -5.021 1.00 0.00 H new ATOM 825 N LEU A 51 1.848 -9.245 -4.362 1.00 0.00 N ATOM 826 CA LEU A 51 1.223 -10.260 -3.513 1.00 0.00 C ATOM 827 C LEU A 51 -0.162 -10.619 -4.047 1.00 0.00 C ATOM 828 O LEU A 51 -0.540 -11.792 -4.055 1.00 0.00 O ATOM 829 CB LEU A 51 1.137 -9.752 -2.062 1.00 0.00 C ATOM 830 CG LEU A 51 2.472 -10.026 -1.342 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.592 -9.127 -0.108 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.539 -11.502 -0.914 1.00 0.00 C ATOM 0 H LEU A 51 2.030 -8.357 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 51 1.836 -11.162 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.918 -8.684 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.320 -10.250 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 51 3.295 -9.811 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.538 -9.326 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.557 -8.082 -0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.767 -9.333 0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.484 -11.691 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.713 -11.723 -0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.467 -12.140 -1.795 1.00 0.00 H new ATOM 844 N ASN A 52 -0.900 -9.607 -4.512 1.00 0.00 N ATOM 845 CA ASN A 52 -2.233 -9.830 -5.075 1.00 0.00 C ATOM 846 C ASN A 52 -2.141 -10.739 -6.298 1.00 0.00 C ATOM 847 O ASN A 52 -2.894 -11.707 -6.420 1.00 0.00 O ATOM 848 CB ASN A 52 -2.859 -8.480 -5.468 1.00 0.00 C ATOM 849 CG ASN A 52 -4.108 -8.677 -6.336 1.00 0.00 C ATOM 850 OD1 ASN A 52 -5.242 -8.980 -5.775 1.00 0.00 O flip ATOM 851 ND2 ASN A 52 -4.042 -8.549 -7.558 1.00 0.00 N flip ATOM 0 H ASN A 52 -0.599 -8.632 -4.510 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.861 -10.313 -4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.123 -7.923 -4.569 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.127 -7.881 -6.010 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.153 -8.311 -7.999 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.876 -8.680 -8.130 1.00 0.00 H new ATOM 858 N ASP A 53 -1.215 -10.411 -7.198 1.00 0.00 N ATOM 859 CA ASP A 53 -1.024 -11.191 -8.420 1.00 0.00 C ATOM 860 C ASP A 53 -0.599 -12.621 -8.104 1.00 0.00 C ATOM 861 O ASP A 53 -1.009 -13.562 -8.790 1.00 0.00 O ATOM 862 CB ASP A 53 0.041 -10.521 -9.298 1.00 0.00 C ATOM 863 CG ASP A 53 0.144 -11.226 -10.654 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.645 -10.905 -11.529 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.006 -12.079 -10.796 1.00 0.00 O ATOM 0 H ASP A 53 -0.587 -9.613 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.975 -11.228 -8.951 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.210 -9.471 -9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.007 -10.549 -8.793 1.00 0.00 H new ATOM 870 N ALA A 54 0.254 -12.771 -7.089 1.00 0.00 N ATOM 871 CA ALA A 54 0.766 -14.086 -6.718 1.00 0.00 C ATOM 872 C ALA A 54 -0.274 -14.933 -5.971 1.00 0.00 C ATOM 873 O ALA A 54 -0.513 -16.088 -6.332 1.00 0.00 O ATOM 874 CB ALA A 54 2.017 -13.923 -5.846 1.00 0.00 C ATOM 0 H ALA A 54 0.601 -12.003 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 54 1.011 -14.611 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.398 -14.906 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.781 -13.381 -6.403 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.762 -13.366 -4.944 1.00 0.00 H new ATOM 880 N GLN A 55 -0.868 -14.358 -4.918 1.00 0.00 N ATOM 881 CA GLN A 55 -1.864 -15.073 -4.105 1.00 0.00 C ATOM 882 C GLN A 55 -3.141 -15.371 -4.895 1.00 0.00 C ATOM 883 O GLN A 55 -3.845 -16.337 -4.590 1.00 0.00 O ATOM 884 CB GLN A 55 -2.221 -14.254 -2.852 1.00 0.00 C ATOM 885 CG GLN A 55 -0.994 -14.109 -1.941 1.00 0.00 C ATOM 886 CD GLN A 55 -1.237 -12.982 -0.945 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.608 -11.815 -1.393 1.00 0.00 O flip ATOM 888 NE2 GLN A 55 -1.091 -13.166 0.262 1.00 0.00 N flip ATOM 0 H GLN A 55 -0.679 -13.405 -4.609 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.416 -16.022 -3.812 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.583 -13.268 -3.145 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.030 -14.742 -2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.807 -15.043 -1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.107 -13.898 -2.538 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.801 -14.081 0.607 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.260 -12.404 0.918 1.00 0.00 H new ATOM 897 N ALA A 56 -3.444 -14.528 -5.890 1.00 0.00 N ATOM 898 CA ALA A 56 -4.655 -14.704 -6.699 1.00 0.00 C ATOM 899 C ALA A 56 -4.686 -16.089 -7.365 1.00 0.00 C ATOM 900 O ALA A 56 -3.638 -16.629 -7.733 1.00 0.00 O ATOM 901 CB ALA A 56 -4.735 -13.618 -7.777 1.00 0.00 C ATOM 0 H ALA A 56 -2.873 -13.725 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.513 -14.622 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.638 -13.760 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.763 -12.637 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.861 -13.684 -8.425 1.00 0.00 H new ATOM 907 N PRO A 57 -5.867 -16.663 -7.527 1.00 0.00 N ATOM 908 CA PRO A 57 -6.036 -18.006 -8.165 1.00 0.00 C ATOM 909 C PRO A 57 -5.673 -17.984 -9.651 1.00 0.00 C ATOM 910 O PRO A 57 -5.671 -16.922 -10.278 1.00 0.00 O ATOM 911 CB PRO A 57 -7.522 -18.335 -7.957 1.00 0.00 C ATOM 912 CG PRO A 57 -8.198 -17.020 -7.751 1.00 0.00 C ATOM 913 CD PRO A 57 -7.166 -16.089 -7.126 1.00 0.00 C ATOM 0 HA PRO A 57 -5.375 -18.753 -7.726 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.933 -18.856 -8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.662 -18.987 -7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.559 -16.618 -8.698 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.065 -17.129 -7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.279 -15.068 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.267 -16.054 -6.041 1.00 0.00 H new ATOM 921 N LYS A 58 -5.368 -19.171 -10.187 1.00 0.00 N ATOM 922 CA LYS A 58 -4.995 -19.339 -11.599 1.00 0.00 C ATOM 923 C LYS A 58 -3.668 -18.619 -11.907 1.00 0.00 C ATOM 924 O LYS A 58 -3.686 -17.417 -12.133 1.00 0.00 O ATOM 925 CB LYS A 58 -6.121 -18.833 -12.529 1.00 0.00 C ATOM 926 CG LYS A 58 -7.397 -19.663 -12.310 1.00 0.00 C ATOM 927 CD LYS A 58 -8.467 -19.276 -13.347 1.00 0.00 C ATOM 928 CE LYS A 58 -9.012 -17.871 -13.050 1.00 0.00 C ATOM 929 NZ LYS A 58 -10.036 -17.513 -14.073 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.646 -19.288 -11.910 1.00 0.00 O ATOM 0 H LYS A 58 -5.372 -20.042 -9.656 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.853 -20.404 -11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.323 -17.781 -12.330 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.804 -18.905 -13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.167 -20.725 -12.393 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.779 -19.497 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.039 -19.303 -14.349 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.281 -20.001 -13.328 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.452 -17.842 -12.053 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.200 -17.144 -13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.407 -16.562 -13.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.602 -17.525 -15.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.814 -18.202 -14.041 1.00 0.00 H new