USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 672 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 67 THR OG1 : rot -110:sc= 0.676 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.705 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 SER OG : rot 150:sc= -0.0689 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.178) USER MOD Single : A 24 ASN : amide:sc=-0.00922 X(o=-0.0092,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 150:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.907 F(o=-3,f=-0.91) USER MOD Single : A 35 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0122) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -137:sc= -1.45 (180deg=-8.94!) USER MOD Single : A 59 THR OG1 : rot -130:sc= 0.0486 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -119:sc=-0.00307 (180deg=-0.145) USER MOD Single : A 77 THR OG1 : rot 82:sc= 1.12 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0359) USER MOD Single : A 84 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.371) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0.0419 USER MOD Single : A 93 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.19) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc=-0.00206 K(o=-0.0021,f=-1.5!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 128 N ALA A 9 9.567 6.420 4.784 1.00 0.00 N ATOM 129 CA ALA A 9 9.991 6.909 3.441 1.00 0.00 C ATOM 130 C ALA A 9 10.003 5.737 2.458 1.00 0.00 C ATOM 131 O ALA A 9 9.595 5.867 1.320 1.00 0.00 O ATOM 132 CB ALA A 9 11.400 7.473 3.637 1.00 0.00 C ATOM 0 HA ALA A 9 9.319 7.666 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.776 7.852 2.687 1.00 0.00 H new ATOM 0 HB2 ALA A 9 11.369 8.284 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.060 6.685 4.000 1.00 0.00 H new ATOM 138 N VAL A 10 10.446 4.585 2.902 1.00 0.00 N ATOM 139 CA VAL A 10 10.458 3.393 2.006 1.00 0.00 C ATOM 140 C VAL A 10 9.014 2.968 1.724 1.00 0.00 C ATOM 141 O VAL A 10 8.674 2.594 0.618 1.00 0.00 O ATOM 142 CB VAL A 10 11.213 2.300 2.776 1.00 0.00 C ATOM 143 CG1 VAL A 10 11.195 0.999 1.969 1.00 0.00 C ATOM 144 CG2 VAL A 10 12.666 2.734 2.999 1.00 0.00 C ATOM 0 H VAL A 10 10.799 4.422 3.845 1.00 0.00 H new ATOM 0 HA VAL A 10 10.937 3.591 1.047 1.00 0.00 H new ATOM 0 HB VAL A 10 10.728 2.142 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.731 0.224 2.516 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.164 0.684 1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.677 1.162 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.198 1.956 3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.149 2.896 2.036 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.685 3.659 3.575 1.00 0.00 H new ATOM 154 N ALA A 11 8.159 3.044 2.718 1.00 0.00 N ATOM 155 CA ALA A 11 6.730 2.670 2.516 1.00 0.00 C ATOM 156 C ALA A 11 6.083 3.631 1.516 1.00 0.00 C ATOM 157 O ALA A 11 5.310 3.225 0.670 1.00 0.00 O ATOM 158 CB ALA A 11 6.074 2.800 3.893 1.00 0.00 C ATOM 0 H ALA A 11 8.395 3.351 3.662 1.00 0.00 H new ATOM 0 HA ALA A 11 6.618 1.662 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.018 2.539 3.819 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.566 2.127 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.170 3.827 4.246 1.00 0.00 H new ATOM 164 N ALA A 12 6.406 4.902 1.599 1.00 0.00 N ATOM 165 CA ALA A 12 5.823 5.888 0.644 1.00 0.00 C ATOM 166 C ALA A 12 6.259 5.547 -0.784 1.00 0.00 C ATOM 167 O ALA A 12 5.471 5.600 -1.710 1.00 0.00 O ATOM 168 CB ALA A 12 6.381 7.248 1.074 1.00 0.00 C ATOM 0 H ALA A 12 7.048 5.294 2.288 1.00 0.00 H new ATOM 0 HA ALA A 12 4.733 5.884 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.994 8.025 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.077 7.458 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.469 7.230 1.014 1.00 0.00 H new ATOM 174 N ALA A 13 7.505 5.179 -0.967 1.00 0.00 N ATOM 175 CA ALA A 13 7.986 4.813 -2.333 1.00 0.00 C ATOM 176 C ALA A 13 7.288 3.532 -2.800 1.00 0.00 C ATOM 177 O ALA A 13 6.891 3.418 -3.946 1.00 0.00 O ATOM 178 CB ALA A 13 9.493 4.591 -2.189 1.00 0.00 C ATOM 0 H ALA A 13 8.207 5.117 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 13 7.769 5.585 -3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.915 4.318 -3.156 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.963 5.508 -1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.676 3.789 -1.474 1.00 0.00 H new ATOM 184 N VAL A 14 7.116 2.575 -1.917 1.00 0.00 N ATOM 185 CA VAL A 14 6.422 1.312 -2.310 1.00 0.00 C ATOM 186 C VAL A 14 4.965 1.629 -2.666 1.00 0.00 C ATOM 187 O VAL A 14 4.427 1.112 -3.627 1.00 0.00 O ATOM 188 CB VAL A 14 6.498 0.386 -1.087 1.00 0.00 C ATOM 189 CG1 VAL A 14 5.736 -0.910 -1.378 1.00 0.00 C ATOM 190 CG2 VAL A 14 7.961 0.049 -0.780 1.00 0.00 C ATOM 0 H VAL A 14 7.426 2.616 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 14 6.880 0.840 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 14 6.053 0.891 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 14 5.790 -1.567 -0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.693 -0.678 -1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.182 -1.409 -2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.009 -0.608 0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.407 -0.452 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.510 0.967 -0.571 1.00 0.00 H new ATOM 200 N ALA A 15 4.333 2.495 -1.903 1.00 0.00 N ATOM 201 CA ALA A 15 2.918 2.870 -2.203 1.00 0.00 C ATOM 202 C ALA A 15 2.840 3.538 -3.581 1.00 0.00 C ATOM 203 O ALA A 15 1.931 3.286 -4.349 1.00 0.00 O ATOM 204 CB ALA A 15 2.513 3.853 -1.101 1.00 0.00 C ATOM 0 H ALA A 15 4.739 2.955 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 15 2.256 2.004 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.482 4.171 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.598 3.366 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.170 4.722 -1.130 1.00 0.00 H new ATOM 210 N SER A 16 3.799 4.377 -3.902 1.00 0.00 N ATOM 211 CA SER A 16 3.799 5.050 -5.236 1.00 0.00 C ATOM 212 C SER A 16 3.890 3.998 -6.347 1.00 0.00 C ATOM 213 O SER A 16 3.208 4.085 -7.351 1.00 0.00 O ATOM 214 CB SER A 16 5.040 5.946 -5.237 1.00 0.00 C ATOM 215 OG SER A 16 4.881 6.976 -6.205 1.00 0.00 O ATOM 0 H SER A 16 4.581 4.623 -3.295 1.00 0.00 H new ATOM 0 HA SER A 16 2.890 5.626 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.188 6.381 -4.249 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.928 5.355 -5.462 1.00 0.00 H new ATOM 0 HG SER A 16 5.675 7.551 -6.205 1.00 0.00 H new ATOM 221 N LYS A 17 4.720 2.995 -6.166 1.00 0.00 N ATOM 222 CA LYS A 17 4.845 1.926 -7.204 1.00 0.00 C ATOM 223 C LYS A 17 3.551 1.096 -7.271 1.00 0.00 C ATOM 224 O LYS A 17 3.185 0.595 -8.317 1.00 0.00 O ATOM 225 CB LYS A 17 6.029 1.059 -6.761 1.00 0.00 C ATOM 226 CG LYS A 17 6.313 0.003 -7.835 1.00 0.00 C ATOM 227 CD LYS A 17 7.821 -0.097 -8.077 1.00 0.00 C ATOM 228 CE LYS A 17 8.083 -0.647 -9.485 1.00 0.00 C ATOM 229 NZ LYS A 17 7.588 -2.055 -9.458 1.00 0.00 N ATOM 0 H LYS A 17 5.314 2.873 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 17 5.006 2.339 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.911 1.680 -6.603 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.805 0.576 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.921 -0.964 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.803 0.267 -8.762 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.283 0.884 -7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.276 -0.748 -7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.559 -0.061 -10.240 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.144 -0.608 -9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.997 -2.582 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.871 -2.505 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.551 -2.060 -9.535 1.00 0.00 H new ATOM 243 N ILE A 18 2.852 0.962 -6.165 1.00 0.00 N ATOM 244 CA ILE A 18 1.579 0.179 -6.167 1.00 0.00 C ATOM 245 C ILE A 18 0.517 0.920 -6.991 1.00 0.00 C ATOM 246 O ILE A 18 -0.182 0.327 -7.786 1.00 0.00 O ATOM 247 CB ILE A 18 1.153 0.082 -4.692 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.049 -0.927 -3.958 1.00 0.00 C ATOM 249 CG2 ILE A 18 -0.309 -0.373 -4.599 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.720 -2.353 -4.416 1.00 0.00 C ATOM 0 H ILE A 18 3.111 1.362 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 18 1.702 -0.809 -6.610 1.00 0.00 H new ATOM 0 HB ILE A 18 1.255 1.063 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.098 -0.706 -4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.903 -0.839 -2.881 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.603 -0.439 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.947 0.347 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.416 -1.351 -5.069 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.360 -3.061 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.676 -2.574 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.889 -2.439 -5.489 1.00 0.00 H new ATOM 262 N VAL A 19 0.398 2.214 -6.810 1.00 0.00 N ATOM 263 CA VAL A 19 -0.617 2.996 -7.585 1.00 0.00 C ATOM 264 C VAL A 19 -0.289 2.950 -9.087 1.00 0.00 C ATOM 265 O VAL A 19 -1.172 2.847 -9.918 1.00 0.00 O ATOM 266 CB VAL A 19 -0.523 4.432 -7.046 1.00 0.00 C ATOM 267 CG1 VAL A 19 -1.273 5.391 -7.976 1.00 0.00 C ATOM 268 CG2 VAL A 19 -1.149 4.500 -5.648 1.00 0.00 C ATOM 0 H VAL A 19 0.960 2.762 -6.159 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.623 2.592 -7.471 1.00 0.00 H new ATOM 0 HB VAL A 19 0.527 4.721 -6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.201 6.406 -7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.831 5.352 -8.972 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.321 5.097 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.081 5.519 -5.268 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.196 4.202 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.615 3.827 -4.977 1.00 0.00 H new ATOM 278 N GLY A 20 0.972 3.026 -9.437 1.00 0.00 N ATOM 279 CA GLY A 20 1.362 2.989 -10.880 1.00 0.00 C ATOM 280 C GLY A 20 1.187 1.571 -11.450 1.00 0.00 C ATOM 281 O GLY A 20 0.971 1.400 -12.635 1.00 0.00 O ATOM 0 H GLY A 20 1.750 3.112 -8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.751 3.693 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.399 3.306 -10.991 1.00 0.00 H new ATOM 285 N LEU A 21 1.291 0.553 -10.625 1.00 0.00 N ATOM 286 CA LEU A 21 1.145 -0.850 -11.129 1.00 0.00 C ATOM 287 C LEU A 21 -0.115 -1.529 -10.560 1.00 0.00 C ATOM 288 O LEU A 21 -0.157 -2.736 -10.409 1.00 0.00 O ATOM 289 CB LEU A 21 2.405 -1.569 -10.637 1.00 0.00 C ATOM 290 CG LEU A 21 2.765 -2.700 -11.603 1.00 0.00 C ATOM 291 CD1 LEU A 21 3.799 -2.199 -12.614 1.00 0.00 C ATOM 292 CD2 LEU A 21 3.351 -3.876 -10.816 1.00 0.00 C ATOM 0 H LEU A 21 1.471 0.635 -9.624 1.00 0.00 H new ATOM 0 HA LEU A 21 1.037 -0.878 -12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.233 -0.863 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.239 -1.971 -9.637 1.00 0.00 H new ATOM 0 HG LEU A 21 1.868 -3.025 -12.131 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.055 -3.005 -13.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.384 -1.362 -13.175 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.696 -1.873 -12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.608 -4.682 -11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.247 -3.550 -10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.616 -4.234 -10.095 1.00 0.00 H new ATOM 304 N TRP A 22 -1.139 -0.776 -10.248 1.00 0.00 N ATOM 305 CA TRP A 22 -2.380 -1.395 -9.693 1.00 0.00 C ATOM 306 C TRP A 22 -3.404 -1.643 -10.812 1.00 0.00 C ATOM 307 O TRP A 22 -3.680 -0.774 -11.618 1.00 0.00 O ATOM 308 CB TRP A 22 -2.912 -0.370 -8.682 1.00 0.00 C ATOM 309 CG TRP A 22 -4.301 -0.736 -8.251 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.695 -1.968 -7.858 1.00 0.00 C ATOM 311 CD2 TRP A 22 -5.479 0.118 -8.165 1.00 0.00 C ATOM 312 NE1 TRP A 22 -6.039 -1.925 -7.541 1.00 0.00 N ATOM 313 CE2 TRP A 22 -6.567 -0.663 -7.712 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.707 1.479 -8.435 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.837 -0.114 -7.532 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.984 2.036 -8.255 1.00 0.00 C ATOM 317 CH2 TRP A 22 -8.047 1.240 -7.804 1.00 0.00 C ATOM 0 H TRP A 22 -1.169 0.238 -10.353 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.189 -2.363 -9.230 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.254 -0.330 -7.814 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.913 0.624 -9.128 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -4.063 -2.842 -7.801 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -6.576 -2.730 -7.219 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.895 2.100 -8.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.652 -0.732 -7.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.148 3.083 -8.465 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -9.027 1.673 -7.667 1.00 0.00 H new ATOM 328 N ARG A 23 -3.975 -2.819 -10.849 1.00 0.00 N ATOM 329 CA ARG A 23 -4.995 -3.138 -11.893 1.00 0.00 C ATOM 330 C ARG A 23 -6.399 -2.956 -11.298 1.00 0.00 C ATOM 331 O ARG A 23 -6.551 -2.368 -10.245 1.00 0.00 O ATOM 332 CB ARG A 23 -4.727 -4.604 -12.261 1.00 0.00 C ATOM 333 CG ARG A 23 -5.038 -4.831 -13.743 1.00 0.00 C ATOM 334 CD ARG A 23 -4.322 -6.095 -14.230 1.00 0.00 C ATOM 335 NE ARG A 23 -4.122 -5.892 -15.694 1.00 0.00 N ATOM 336 CZ ARG A 23 -3.062 -6.382 -16.281 1.00 0.00 C ATOM 337 NH1 ARG A 23 -1.954 -5.689 -16.311 1.00 0.00 N ATOM 338 NH2 ARG A 23 -3.114 -7.564 -16.838 1.00 0.00 N ATOM 0 H ARG A 23 -3.777 -3.577 -10.196 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.936 -2.493 -12.770 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.687 -4.856 -12.055 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.342 -5.261 -11.646 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.114 -4.931 -13.888 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.716 -3.970 -14.329 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.370 -6.230 -13.718 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.919 -6.986 -14.034 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.811 -5.372 -16.236 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.917 -4.767 -15.877 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.126 -6.070 -16.769 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.981 -8.102 -16.814 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.288 -7.948 -17.297 1.00 0.00 H new ATOM 352 N ASN A 24 -7.423 -3.448 -11.955 1.00 0.00 N ATOM 353 CA ASN A 24 -8.813 -3.297 -11.409 1.00 0.00 C ATOM 354 C ASN A 24 -8.848 -3.695 -9.925 1.00 0.00 C ATOM 355 O ASN A 24 -9.470 -3.038 -9.112 1.00 0.00 O ATOM 356 CB ASN A 24 -9.676 -4.257 -12.232 1.00 0.00 C ATOM 357 CG ASN A 24 -10.389 -3.486 -13.343 1.00 0.00 C ATOM 358 OD1 ASN A 24 -10.119 -3.692 -14.509 1.00 0.00 O ATOM 359 ND2 ASN A 24 -11.297 -2.599 -13.033 1.00 0.00 N ATOM 0 H ASN A 24 -7.358 -3.946 -12.843 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.167 -2.268 -11.476 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.054 -5.042 -12.662 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.407 -4.746 -11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -11.777 -2.082 -13.769 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.526 -2.424 -12.055 1.00 0.00 H new ATOM 366 N GLU A 25 -8.171 -4.763 -9.576 1.00 0.00 N ATOM 367 CA GLU A 25 -8.142 -5.217 -8.151 1.00 0.00 C ATOM 368 C GLU A 25 -6.963 -6.178 -7.922 1.00 0.00 C ATOM 369 O GLU A 25 -7.073 -7.148 -7.192 1.00 0.00 O ATOM 370 CB GLU A 25 -9.482 -5.934 -7.929 1.00 0.00 C ATOM 371 CG GLU A 25 -9.598 -7.139 -8.871 1.00 0.00 C ATOM 372 CD GLU A 25 -10.980 -7.149 -9.526 1.00 0.00 C ATOM 373 OE1 GLU A 25 -11.932 -7.498 -8.846 1.00 0.00 O ATOM 374 OE2 GLU A 25 -11.065 -6.808 -10.694 1.00 0.00 O ATOM 0 H GLU A 25 -7.634 -5.342 -10.222 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.010 -4.387 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.559 -6.264 -6.893 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.306 -5.243 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.823 -7.091 -9.636 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.441 -8.064 -8.316 1.00 0.00 H new ATOM 381 N LYS A 26 -5.838 -5.921 -8.545 1.00 0.00 N ATOM 382 CA LYS A 26 -4.660 -6.823 -8.371 1.00 0.00 C ATOM 383 C LYS A 26 -3.345 -6.034 -8.419 1.00 0.00 C ATOM 384 O LYS A 26 -3.280 -4.943 -8.952 1.00 0.00 O ATOM 385 CB LYS A 26 -4.741 -7.796 -9.547 1.00 0.00 C ATOM 386 CG LYS A 26 -3.769 -8.957 -9.317 1.00 0.00 C ATOM 387 CD LYS A 26 -4.226 -10.176 -10.119 1.00 0.00 C ATOM 388 CE LYS A 26 -3.366 -11.386 -9.741 1.00 0.00 C ATOM 389 NZ LYS A 26 -3.819 -12.482 -10.648 1.00 0.00 N ATOM 0 H LYS A 26 -5.686 -5.126 -9.166 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.676 -7.330 -7.406 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.758 -8.174 -9.650 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.496 -7.281 -10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.763 -8.667 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.725 -9.203 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.276 -10.385 -9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.141 -9.975 -11.187 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.305 -11.174 -9.877 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.505 -11.657 -8.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.274 -13.345 -10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.830 -12.667 -10.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.668 -12.199 -11.637 1.00 0.00 H new ATOM 403 N THR A 27 -2.295 -6.596 -7.870 1.00 0.00 N ATOM 404 CA THR A 27 -0.964 -5.911 -7.876 1.00 0.00 C ATOM 405 C THR A 27 0.139 -6.934 -7.552 1.00 0.00 C ATOM 406 O THR A 27 -0.109 -7.937 -6.911 1.00 0.00 O ATOM 407 CB THR A 27 -1.055 -4.831 -6.785 1.00 0.00 C ATOM 408 OG1 THR A 27 0.184 -4.131 -6.708 1.00 0.00 O ATOM 409 CG2 THR A 27 -1.374 -5.474 -5.429 1.00 0.00 C ATOM 0 H THR A 27 -2.304 -7.508 -7.414 1.00 0.00 H new ATOM 0 HA THR A 27 -0.722 -5.471 -8.843 1.00 0.00 H new ATOM 0 HB THR A 27 -1.853 -4.133 -7.038 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.021 -3.209 -6.419 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.436 -4.699 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 27 -2.327 -6.000 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.586 -6.180 -5.167 1.00 0.00 H new ATOM 417 N GLU A 28 1.346 -6.693 -7.993 1.00 0.00 N ATOM 418 CA GLU A 28 2.455 -7.660 -7.707 1.00 0.00 C ATOM 419 C GLU A 28 3.459 -7.043 -6.728 1.00 0.00 C ATOM 420 O GLU A 28 4.169 -6.116 -7.064 1.00 0.00 O ATOM 421 CB GLU A 28 3.119 -7.925 -9.063 1.00 0.00 C ATOM 422 CG GLU A 28 2.146 -8.678 -9.977 1.00 0.00 C ATOM 423 CD GLU A 28 1.889 -7.855 -11.244 1.00 0.00 C ATOM 424 OE1 GLU A 28 1.244 -6.823 -11.138 1.00 0.00 O ATOM 425 OE2 GLU A 28 2.344 -8.270 -12.298 1.00 0.00 O ATOM 0 H GLU A 28 1.614 -5.873 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 28 2.089 -8.579 -7.249 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.412 -6.982 -9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.029 -8.509 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.559 -9.652 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.208 -8.861 -9.454 1.00 0.00 H new ATOM 432 N LEU A 29 3.523 -7.549 -5.518 1.00 0.00 N ATOM 433 CA LEU A 29 4.482 -6.984 -4.518 1.00 0.00 C ATOM 434 C LEU A 29 5.658 -7.943 -4.290 1.00 0.00 C ATOM 435 O LEU A 29 5.470 -9.115 -4.026 1.00 0.00 O ATOM 436 CB LEU A 29 3.669 -6.821 -3.231 1.00 0.00 C ATOM 437 CG LEU A 29 3.040 -5.425 -3.195 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.722 -5.477 -2.420 1.00 0.00 C ATOM 439 CD2 LEU A 29 3.999 -4.450 -2.506 1.00 0.00 C ATOM 0 H LEU A 29 2.954 -8.326 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 29 4.909 -6.040 -4.856 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.891 -7.583 -3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.312 -6.964 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 29 2.848 -5.088 -4.214 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.275 -4.483 -2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.038 -6.170 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.912 -5.815 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.551 -3.456 -2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.192 -4.788 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.938 -4.411 -3.059 1.00 0.00 H new ATOM 451 N LEU A 30 6.871 -7.445 -4.389 1.00 0.00 N ATOM 452 CA LEU A 30 8.083 -8.305 -4.177 1.00 0.00 C ATOM 453 C LEU A 30 8.054 -9.541 -5.092 1.00 0.00 C ATOM 454 O LEU A 30 8.483 -10.615 -4.711 1.00 0.00 O ATOM 455 CB LEU A 30 8.025 -8.717 -2.701 1.00 0.00 C ATOM 456 CG LEU A 30 9.426 -8.640 -2.087 1.00 0.00 C ATOM 457 CD1 LEU A 30 9.932 -7.193 -2.127 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.369 -9.120 -0.635 1.00 0.00 C ATOM 0 H LEU A 30 7.074 -6.470 -4.610 1.00 0.00 H new ATOM 0 HA LEU A 30 9.003 -7.773 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.343 -8.063 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.634 -9.730 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 30 10.106 -9.273 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.929 -7.144 -1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 30 9.973 -6.850 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.255 -6.555 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.365 -9.067 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.687 -8.486 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.014 -10.150 -0.606 1.00 0.00 H new ATOM 470 N GLY A 31 7.555 -9.397 -6.296 1.00 0.00 N ATOM 471 CA GLY A 31 7.498 -10.560 -7.236 1.00 0.00 C ATOM 472 C GLY A 31 6.432 -11.566 -6.774 1.00 0.00 C ATOM 473 O GLY A 31 6.493 -12.735 -7.106 1.00 0.00 O ATOM 0 H GLY A 31 7.184 -8.523 -6.669 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.267 -10.212 -8.243 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.472 -11.047 -7.282 1.00 0.00 H new ATOM 477 N HIS A 32 5.459 -11.122 -6.012 1.00 0.00 N ATOM 478 CA HIS A 32 4.392 -12.042 -5.528 1.00 0.00 C ATOM 479 C HIS A 32 3.020 -11.521 -5.960 1.00 0.00 C ATOM 480 O HIS A 32 2.826 -10.331 -6.126 1.00 0.00 O ATOM 481 CB HIS A 32 4.508 -12.019 -4.005 1.00 0.00 C ATOM 482 CG HIS A 32 5.842 -12.574 -3.579 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.766 -12.130 -2.667 1.00 0.00 N flip ATOM 484 CD2 HIS A 32 6.373 -13.736 -4.120 1.00 0.00 C flip ATOM 485 CE1 HIS A 32 7.852 -12.998 -2.638 1.00 0.00 C flip ATOM 486 NE2 HIS A 32 7.564 -13.948 -3.532 1.00 0.00 N flip ATOM 0 H HIS A 32 5.362 -10.154 -5.705 1.00 0.00 H new ATOM 0 HA HIS A 32 4.500 -13.049 -5.931 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.397 -10.998 -3.639 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.703 -12.606 -3.562 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.914 -14.357 -4.875 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.738 -12.921 -2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.173 -14.738 -3.743 1.00 0.00 H new ATOM 494 N GLU A 33 2.065 -12.398 -6.142 1.00 0.00 N ATOM 495 CA GLU A 33 0.708 -11.943 -6.567 1.00 0.00 C ATOM 496 C GLU A 33 -0.077 -11.398 -5.370 1.00 0.00 C ATOM 497 O GLU A 33 -0.214 -12.048 -4.349 1.00 0.00 O ATOM 498 CB GLU A 33 0.020 -13.184 -7.144 1.00 0.00 C ATOM 499 CG GLU A 33 -0.020 -13.082 -8.673 1.00 0.00 C ATOM 500 CD GLU A 33 1.065 -13.979 -9.279 1.00 0.00 C ATOM 501 OE1 GLU A 33 2.233 -13.693 -9.064 1.00 0.00 O ATOM 502 OE2 GLU A 33 0.708 -14.935 -9.949 1.00 0.00 O ATOM 0 H GLU A 33 2.166 -13.405 -6.015 1.00 0.00 H new ATOM 0 HA GLU A 33 0.764 -11.137 -7.299 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.557 -14.084 -6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.992 -13.269 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.001 -13.382 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.134 -12.048 -8.982 1.00 0.00 H new ATOM 509 N CYS A 34 -0.595 -10.205 -5.499 1.00 0.00 N ATOM 510 CA CYS A 34 -1.381 -9.594 -4.390 1.00 0.00 C ATOM 511 C CYS A 34 -2.724 -9.082 -4.920 1.00 0.00 C ATOM 512 O CYS A 34 -2.966 -9.056 -6.114 1.00 0.00 O ATOM 513 CB CYS A 34 -0.528 -8.431 -3.882 1.00 0.00 C ATOM 514 SG CYS A 34 0.867 -9.075 -2.927 1.00 0.00 S ATOM 0 H CYS A 34 -0.506 -9.624 -6.333 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.599 -10.310 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.165 -7.839 -4.722 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.131 -7.768 -3.262 1.00 0.00 H new ATOM 519 N LYS A 35 -3.597 -8.679 -4.038 1.00 0.00 N ATOM 520 CA LYS A 35 -4.931 -8.169 -4.471 1.00 0.00 C ATOM 521 C LYS A 35 -5.206 -6.800 -3.841 1.00 0.00 C ATOM 522 O LYS A 35 -5.580 -6.699 -2.688 1.00 0.00 O ATOM 523 CB LYS A 35 -5.930 -9.208 -3.969 1.00 0.00 C ATOM 524 CG LYS A 35 -7.279 -9.005 -4.667 1.00 0.00 C ATOM 525 CD LYS A 35 -7.377 -9.938 -5.879 1.00 0.00 C ATOM 526 CE LYS A 35 -8.829 -9.993 -6.365 1.00 0.00 C ATOM 527 NZ LYS A 35 -9.483 -11.045 -5.532 1.00 0.00 N ATOM 0 H LYS A 35 -3.443 -8.681 -3.030 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.994 -8.034 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.555 -10.212 -4.166 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.051 -9.119 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.094 -9.209 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.383 -7.968 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.728 -9.582 -6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.034 -10.937 -5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.322 -9.029 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.880 -10.242 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.498 -10.837 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.358 -11.973 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.049 -11.059 -4.587 1.00 0.00 H new ATOM 541 N PHE A 36 -5.016 -5.752 -4.596 1.00 0.00 N ATOM 542 CA PHE A 36 -5.258 -4.378 -4.065 1.00 0.00 C ATOM 543 C PHE A 36 -6.459 -3.749 -4.785 1.00 0.00 C ATOM 544 O PHE A 36 -6.582 -3.852 -5.988 1.00 0.00 O ATOM 545 CB PHE A 36 -3.957 -3.624 -4.379 1.00 0.00 C ATOM 546 CG PHE A 36 -4.132 -2.129 -4.189 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.935 -1.630 -3.155 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.485 -1.242 -5.058 1.00 0.00 C ATOM 549 CE1 PHE A 36 -5.090 -0.250 -2.994 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.641 0.138 -4.895 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.443 0.633 -3.865 1.00 0.00 C ATOM 0 H PHE A 36 -4.701 -5.788 -5.565 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.492 -4.357 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.158 -3.985 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.652 -3.830 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.434 -2.312 -2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.865 -1.624 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.709 0.134 -2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.141 0.821 -5.566 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.564 1.699 -3.741 1.00 0.00 H new ATOM 561 N THR A 37 -7.344 -3.105 -4.061 1.00 0.00 N ATOM 562 CA THR A 37 -8.535 -2.475 -4.719 1.00 0.00 C ATOM 563 C THR A 37 -8.970 -1.207 -3.973 1.00 0.00 C ATOM 564 O THR A 37 -8.500 -0.910 -2.889 1.00 0.00 O ATOM 565 CB THR A 37 -9.661 -3.521 -4.662 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.116 -4.831 -4.560 1.00 0.00 O ATOM 567 CG2 THR A 37 -10.510 -3.427 -5.931 1.00 0.00 C ATOM 0 H THR A 37 -7.295 -2.988 -3.049 1.00 0.00 H new ATOM 0 HA THR A 37 -8.299 -2.184 -5.743 1.00 0.00 H new ATOM 0 HB THR A 37 -10.279 -3.323 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.844 -5.486 -4.523 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.308 -4.168 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 37 -10.944 -2.430 -6.005 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.883 -3.616 -6.803 1.00 0.00 H new ATOM 575 N VAL A 38 -9.882 -0.467 -4.556 1.00 0.00 N ATOM 576 CA VAL A 38 -10.392 0.785 -3.912 1.00 0.00 C ATOM 577 C VAL A 38 -11.927 0.807 -3.992 1.00 0.00 C ATOM 578 O VAL A 38 -12.500 0.585 -5.042 1.00 0.00 O ATOM 579 CB VAL A 38 -9.780 1.938 -4.724 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.388 3.269 -4.274 1.00 0.00 C ATOM 581 CG2 VAL A 38 -8.266 1.980 -4.495 1.00 0.00 C ATOM 0 H VAL A 38 -10.300 -0.680 -5.462 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.121 0.860 -2.859 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.990 1.778 -5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.951 4.083 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.466 3.249 -4.433 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.181 3.424 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.833 2.798 -5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.062 2.135 -3.435 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.823 1.037 -4.815 1.00 0.00 H new ATOM 591 N LYS A 39 -12.598 1.064 -2.893 1.00 0.00 N ATOM 592 CA LYS A 39 -14.095 1.083 -2.918 1.00 0.00 C ATOM 593 C LYS A 39 -14.650 2.262 -2.100 1.00 0.00 C ATOM 594 O LYS A 39 -14.841 2.153 -0.903 1.00 0.00 O ATOM 595 CB LYS A 39 -14.517 -0.253 -2.300 1.00 0.00 C ATOM 596 CG LYS A 39 -15.938 -0.598 -2.752 1.00 0.00 C ATOM 597 CD LYS A 39 -16.126 -2.117 -2.739 1.00 0.00 C ATOM 598 CE LYS A 39 -17.430 -2.477 -3.458 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.209 -3.848 -4.006 1.00 0.00 N ATOM 0 H LYS A 39 -12.176 1.260 -1.985 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.481 1.209 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.826 -1.040 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.474 -0.192 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.665 -0.126 -2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.117 -0.208 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.282 -2.603 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.152 -2.482 -1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.276 -2.459 -2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -17.650 -1.766 -4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.062 -4.161 -4.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.402 -3.834 -4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.009 -4.506 -3.226 1.00 0.00 H new ATOM 613 N PRO A 40 -14.900 3.353 -2.785 1.00 0.00 N ATOM 614 CA PRO A 40 -15.455 4.567 -2.127 1.00 0.00 C ATOM 615 C PRO A 40 -16.961 4.395 -1.873 1.00 0.00 C ATOM 616 O PRO A 40 -17.581 3.473 -2.373 1.00 0.00 O ATOM 617 CB PRO A 40 -15.220 5.667 -3.159 1.00 0.00 C ATOM 618 CG PRO A 40 -15.180 4.961 -4.478 1.00 0.00 C ATOM 619 CD PRO A 40 -14.686 3.560 -4.225 1.00 0.00 C ATOM 0 HA PRO A 40 -14.996 4.777 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -16.018 6.409 -3.133 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.287 6.196 -2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -16.170 4.942 -4.933 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -14.520 5.481 -5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -15.238 2.831 -4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.634 3.455 -4.490 1.00 0.00 H new ATOM 766 N TYR A 48 -17.155 9.558 0.565 1.00 0.00 N ATOM 767 CA TYR A 48 -15.864 9.147 1.195 1.00 0.00 C ATOM 768 C TYR A 48 -15.156 8.090 0.342 1.00 0.00 C ATOM 769 O TYR A 48 -15.783 7.318 -0.357 1.00 0.00 O ATOM 770 CB TYR A 48 -16.256 8.571 2.559 1.00 0.00 C ATOM 771 CG TYR A 48 -16.439 9.697 3.551 1.00 0.00 C ATOM 772 CD1 TYR A 48 -17.695 10.299 3.707 1.00 0.00 C ATOM 773 CD2 TYR A 48 -15.351 10.143 4.311 1.00 0.00 C ATOM 774 CE1 TYR A 48 -17.861 11.343 4.623 1.00 0.00 C ATOM 775 CE2 TYR A 48 -15.518 11.187 5.228 1.00 0.00 C ATOM 776 CZ TYR A 48 -16.773 11.788 5.384 1.00 0.00 C ATOM 777 OH TYR A 48 -16.936 12.818 6.287 1.00 0.00 O ATOM 0 HA TYR A 48 -15.170 9.982 1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.178 7.997 2.471 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.485 7.885 2.910 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -18.535 9.957 3.120 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -14.382 9.681 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -18.829 11.806 4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.679 11.529 5.815 1.00 0.00 H new ATOM 0 HH TYR A 48 -16.082 13.001 6.732 1.00 0.00 H new ATOM 787 N TYR A 49 -13.851 8.054 0.397 1.00 0.00 N ATOM 788 CA TYR A 49 -13.085 7.057 -0.407 1.00 0.00 C ATOM 789 C TYR A 49 -12.480 5.988 0.512 1.00 0.00 C ATOM 790 O TYR A 49 -12.274 6.217 1.690 1.00 0.00 O ATOM 791 CB TYR A 49 -11.979 7.872 -1.083 1.00 0.00 C ATOM 792 CG TYR A 49 -12.141 7.838 -2.585 1.00 0.00 C ATOM 793 CD1 TYR A 49 -13.278 8.399 -3.183 1.00 0.00 C ATOM 794 CD2 TYR A 49 -11.149 7.255 -3.379 1.00 0.00 C ATOM 795 CE1 TYR A 49 -13.418 8.373 -4.575 1.00 0.00 C ATOM 796 CE2 TYR A 49 -11.289 7.232 -4.771 1.00 0.00 C ATOM 797 CZ TYR A 49 -12.424 7.790 -5.369 1.00 0.00 C ATOM 798 OH TYR A 49 -12.561 7.769 -6.742 1.00 0.00 O ATOM 0 H TYR A 49 -13.279 8.676 0.968 1.00 0.00 H new ATOM 0 HA TYR A 49 -13.711 6.534 -1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.012 8.903 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.003 7.472 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.044 8.850 -2.570 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.274 6.822 -2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.294 8.803 -5.037 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.521 6.784 -5.384 1.00 0.00 H new ATOM 0 HH TYR A 49 -11.782 7.329 -7.142 1.00 0.00 H new ATOM 808 N LYS A 50 -12.188 4.825 -0.017 1.00 0.00 N ATOM 809 CA LYS A 50 -11.589 3.750 0.827 1.00 0.00 C ATOM 810 C LYS A 50 -10.826 2.756 -0.048 1.00 0.00 C ATOM 811 O LYS A 50 -11.169 2.535 -1.192 1.00 0.00 O ATOM 812 CB LYS A 50 -12.775 3.064 1.506 1.00 0.00 C ATOM 813 CG LYS A 50 -12.272 1.946 2.426 1.00 0.00 C ATOM 814 CD LYS A 50 -13.035 1.992 3.750 1.00 0.00 C ATOM 815 CE LYS A 50 -12.561 0.848 4.652 1.00 0.00 C ATOM 816 NZ LYS A 50 -12.804 1.323 6.046 1.00 0.00 N ATOM 0 H LYS A 50 -12.339 4.576 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.880 4.146 1.553 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.347 3.792 2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.448 2.653 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.411 0.977 1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -11.203 2.062 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.871 2.950 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.106 1.906 3.568 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -13.112 -0.070 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.506 0.629 4.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.503 0.590 6.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.261 2.194 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.818 1.517 6.175 1.00 0.00 H new ATOM 830 N GLY A 51 -9.795 2.154 0.484 1.00 0.00 N ATOM 831 CA GLY A 51 -9.013 1.168 -0.311 1.00 0.00 C ATOM 832 C GLY A 51 -8.499 0.056 0.602 1.00 0.00 C ATOM 833 O GLY A 51 -8.253 0.264 1.775 1.00 0.00 O ATOM 0 H GLY A 51 -9.462 2.304 1.436 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.637 0.745 -1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.176 1.665 -0.801 1.00 0.00 H new ATOM 837 N ARG A 52 -8.345 -1.127 0.067 1.00 0.00 N ATOM 838 CA ARG A 52 -7.854 -2.274 0.886 1.00 0.00 C ATOM 839 C ARG A 52 -7.041 -3.236 0.012 1.00 0.00 C ATOM 840 O ARG A 52 -7.342 -3.430 -1.153 1.00 0.00 O ATOM 841 CB ARG A 52 -9.126 -2.955 1.403 1.00 0.00 C ATOM 842 CG ARG A 52 -8.756 -4.116 2.332 1.00 0.00 C ATOM 843 CD ARG A 52 -9.430 -3.919 3.693 1.00 0.00 C ATOM 844 NE ARG A 52 -10.858 -4.300 3.485 1.00 0.00 N ATOM 845 CZ ARG A 52 -11.556 -4.790 4.475 1.00 0.00 C ATOM 846 NH1 ARG A 52 -11.828 -4.043 5.515 1.00 0.00 N ATOM 847 NH2 ARG A 52 -11.977 -6.028 4.427 1.00 0.00 N ATOM 0 H ARG A 52 -8.540 -1.349 -0.909 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.200 -1.958 1.699 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.744 -2.233 1.937 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.718 -3.323 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.072 -5.062 1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.674 -4.167 2.454 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.964 -4.542 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.344 -2.886 4.029 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.290 -4.178 2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.495 -3.080 5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.373 -4.424 6.288 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.760 -6.609 3.617 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.522 -6.412 5.199 1.00 0.00 H new ATOM 861 N MET A 53 -6.016 -3.839 0.561 1.00 0.00 N ATOM 862 CA MET A 53 -5.191 -4.787 -0.246 1.00 0.00 C ATOM 863 C MET A 53 -4.696 -5.959 0.613 1.00 0.00 C ATOM 864 O MET A 53 -4.505 -5.839 1.811 1.00 0.00 O ATOM 865 CB MET A 53 -4.016 -3.955 -0.784 1.00 0.00 C ATOM 866 CG MET A 53 -3.039 -3.603 0.342 1.00 0.00 C ATOM 867 SD MET A 53 -1.352 -3.574 -0.316 1.00 0.00 S ATOM 868 CE MET A 53 -1.171 -5.359 -0.557 1.00 0.00 C ATOM 0 H MET A 53 -5.717 -3.716 1.528 1.00 0.00 H new ATOM 0 HA MET A 53 -5.768 -5.233 -1.056 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.495 -4.513 -1.562 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.392 -3.041 -1.244 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.292 -2.632 0.768 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.115 -4.334 1.147 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.184 -5.674 -0.218 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.936 -5.883 0.016 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.284 -5.597 -1.615 1.00 0.00 H new ATOM 878 N TRP A 54 -4.490 -7.093 -0.008 1.00 0.00 N ATOM 879 CA TRP A 54 -4.002 -8.300 0.733 1.00 0.00 C ATOM 880 C TRP A 54 -3.249 -9.230 -0.224 1.00 0.00 C ATOM 881 O TRP A 54 -3.553 -9.295 -1.397 1.00 0.00 O ATOM 882 CB TRP A 54 -5.258 -8.984 1.304 1.00 0.00 C ATOM 883 CG TRP A 54 -6.268 -9.234 0.223 1.00 0.00 C ATOM 884 CD1 TRP A 54 -6.361 -10.368 -0.513 1.00 0.00 C ATOM 885 CD2 TRP A 54 -7.329 -8.353 -0.251 1.00 0.00 C ATOM 886 NE1 TRP A 54 -7.411 -10.238 -1.404 1.00 0.00 N ATOM 887 CE2 TRP A 54 -8.038 -9.013 -1.282 1.00 0.00 C ATOM 888 CE3 TRP A 54 -7.741 -7.057 0.111 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -9.116 -8.410 -1.930 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.825 -6.446 -0.540 1.00 0.00 C ATOM 891 CH2 TRP A 54 -9.511 -7.121 -1.559 1.00 0.00 C ATOM 0 H TRP A 54 -4.640 -7.237 -1.007 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.308 -8.038 1.532 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.981 -9.928 1.774 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.697 -8.358 2.080 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.720 -11.232 -0.419 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -7.689 -10.959 -2.070 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -7.220 -6.528 0.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -9.642 -8.935 -2.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.132 -5.451 -0.254 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -10.343 -6.646 -2.057 1.00 0.00 H new ATOM 902 N CYS A 55 -2.256 -9.936 0.261 1.00 0.00 N ATOM 903 CA CYS A 55 -1.477 -10.841 -0.641 1.00 0.00 C ATOM 904 C CYS A 55 -1.722 -12.318 -0.302 1.00 0.00 C ATOM 905 O CYS A 55 -1.004 -12.898 0.490 1.00 0.00 O ATOM 906 CB CYS A 55 -0.010 -10.474 -0.402 1.00 0.00 C ATOM 907 SG CYS A 55 0.307 -8.799 -1.008 1.00 0.00 S ATOM 0 H CYS A 55 -1.953 -9.925 1.235 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.773 -10.716 -1.683 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.222 -10.536 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.640 -11.185 -0.912 1.00 0.00 H new ATOM 912 N PRO A 56 -2.724 -12.888 -0.937 1.00 0.00 N ATOM 913 CA PRO A 56 -3.052 -14.318 -0.717 1.00 0.00 C ATOM 914 C PRO A 56 -2.055 -15.212 -1.476 1.00 0.00 C ATOM 915 O PRO A 56 -2.297 -15.622 -2.597 1.00 0.00 O ATOM 916 CB PRO A 56 -4.463 -14.454 -1.281 1.00 0.00 C ATOM 917 CG PRO A 56 -4.596 -13.354 -2.289 1.00 0.00 C ATOM 918 CD PRO A 56 -3.638 -12.256 -1.897 1.00 0.00 C ATOM 0 HA PRO A 56 -2.994 -14.622 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.609 -15.430 -1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.211 -14.359 -0.494 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.368 -13.722 -3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.619 -12.979 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.099 -11.872 -2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.163 -11.413 -1.448 1.00 0.00 H new ATOM 926 N GLY A 57 -0.933 -15.503 -0.867 1.00 0.00 N ATOM 927 CA GLY A 57 0.098 -16.355 -1.532 1.00 0.00 C ATOM 928 C GLY A 57 1.487 -15.946 -1.031 1.00 0.00 C ATOM 929 O GLY A 57 2.298 -16.781 -0.673 1.00 0.00 O ATOM 0 H GLY A 57 -0.686 -15.184 0.070 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.086 -17.407 -1.313 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.040 -16.240 -2.614 1.00 0.00 H new ATOM 933 N TRP A 58 1.758 -14.664 -0.996 1.00 0.00 N ATOM 934 CA TRP A 58 3.085 -14.175 -0.510 1.00 0.00 C ATOM 935 C TRP A 58 3.202 -14.393 1.003 1.00 0.00 C ATOM 936 O TRP A 58 4.107 -15.052 1.478 1.00 0.00 O ATOM 937 CB TRP A 58 3.086 -12.676 -0.849 1.00 0.00 C ATOM 938 CG TRP A 58 4.295 -11.992 -0.276 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.457 -12.595 0.076 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.468 -10.575 0.008 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.328 -11.634 0.561 1.00 0.00 N ATOM 942 CE2 TRP A 58 5.764 -10.375 0.539 1.00 0.00 C ATOM 943 CE3 TRP A 58 3.632 -9.454 -0.141 1.00 0.00 C ATOM 944 CZ2 TRP A 58 6.215 -9.108 0.909 1.00 0.00 C ATOM 945 CZ3 TRP A 58 4.082 -8.177 0.230 1.00 0.00 C ATOM 946 CH2 TRP A 58 5.370 -8.005 0.754 1.00 0.00 C ATOM 0 H TRP A 58 1.111 -13.930 -1.286 1.00 0.00 H new ATOM 0 HA TRP A 58 3.924 -14.699 -0.967 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.069 -12.545 -1.931 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.181 -12.211 -0.457 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.669 -13.651 -0.008 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.271 -11.833 0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.637 -9.576 -0.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 7.209 -8.980 1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 3.432 -7.323 0.111 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.710 -7.020 1.038 1.00 0.00 H new ATOM 957 N THR A 59 2.288 -13.840 1.757 1.00 0.00 N ATOM 958 CA THR A 59 2.327 -14.001 3.239 1.00 0.00 C ATOM 959 C THR A 59 0.905 -13.906 3.813 1.00 0.00 C ATOM 960 O THR A 59 -0.072 -14.002 3.093 1.00 0.00 O ATOM 961 CB THR A 59 3.214 -12.846 3.739 1.00 0.00 C ATOM 962 OG1 THR A 59 3.371 -12.939 5.149 1.00 0.00 O ATOM 963 CG2 THR A 59 2.574 -11.500 3.383 1.00 0.00 C ATOM 0 H THR A 59 1.511 -13.280 1.406 1.00 0.00 H new ATOM 0 HA THR A 59 2.722 -14.968 3.550 1.00 0.00 H new ATOM 0 HB THR A 59 4.190 -12.915 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.174 -12.071 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.209 -10.689 3.741 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.464 -11.424 2.301 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.593 -11.428 3.853 1.00 0.00 H new ATOM 971 N ALA A 60 0.785 -13.713 5.100 1.00 0.00 N ATOM 972 CA ALA A 60 -0.564 -13.606 5.729 1.00 0.00 C ATOM 973 C ALA A 60 -0.725 -12.226 6.380 1.00 0.00 C ATOM 974 O ALA A 60 -0.993 -12.109 7.561 1.00 0.00 O ATOM 975 CB ALA A 60 -0.603 -14.719 6.781 1.00 0.00 C ATOM 0 H ALA A 60 1.569 -13.624 5.747 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.374 -13.712 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.567 -14.706 7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.462 -15.684 6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.193 -14.560 7.509 1.00 0.00 H new ATOM 981 N ILE A 61 -0.560 -11.182 5.607 1.00 0.00 N ATOM 982 CA ILE A 61 -0.696 -9.800 6.156 1.00 0.00 C ATOM 983 C ILE A 61 -1.626 -8.975 5.256 1.00 0.00 C ATOM 984 O ILE A 61 -1.827 -9.293 4.097 1.00 0.00 O ATOM 985 CB ILE A 61 0.734 -9.231 6.153 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.503 -9.786 7.358 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.697 -7.701 6.242 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.999 -9.508 7.187 1.00 0.00 C ATOM 0 H ILE A 61 -0.336 -11.229 4.613 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.129 -9.781 7.156 1.00 0.00 H new ATOM 0 HB ILE A 61 1.229 -9.523 5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.140 -9.325 8.277 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.331 -10.858 7.449 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.715 -7.312 6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.153 -7.300 5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.197 -7.402 7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.543 -9.903 8.045 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.357 -9.990 6.277 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.164 -8.433 7.117 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.193 -7.918 5.783 1.00 0.00 N ATOM 1001 CA ARG A 62 -3.105 -7.069 4.964 1.00 0.00 C ATOM 1002 C ARG A 62 -2.810 -5.584 5.190 1.00 0.00 C ATOM 1003 O ARG A 62 -2.051 -5.216 6.066 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.524 -7.411 5.429 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.612 -7.360 6.960 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.076 -7.476 7.395 1.00 0.00 C ATOM 1007 NE ARG A 62 -6.713 -6.183 6.997 1.00 0.00 N ATOM 1008 CZ ARG A 62 -7.877 -5.845 7.492 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -8.845 -6.723 7.553 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -8.073 -4.625 7.922 1.00 0.00 N ATOM 0 H ARG A 62 -2.062 -7.608 6.746 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.975 -7.258 3.898 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.235 -6.709 4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.800 -8.404 5.075 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.028 -8.171 7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.186 -6.427 7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.564 -8.320 6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.155 -7.638 8.470 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.240 -5.564 6.339 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.694 -7.673 7.215 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.751 -6.457 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.320 -3.939 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.979 -4.360 8.308 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.412 -4.738 4.402 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.182 -3.271 4.554 1.00 0.00 C ATOM 1026 C GLY A 63 -4.306 -2.506 3.860 1.00 0.00 C ATOM 1027 O GLY A 63 -4.612 -2.746 2.707 1.00 0.00 O ATOM 0 H GLY A 63 -4.056 -4.999 3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.145 -3.005 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.220 -2.996 4.122 1.00 0.00 H new ATOM 1031 N GLU A 64 -4.928 -1.592 4.558 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.042 -0.808 3.952 1.00 0.00 C ATOM 1033 C GLU A 64 -6.079 0.613 4.525 1.00 0.00 C ATOM 1034 O GLU A 64 -5.600 0.866 5.614 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.314 -1.578 4.319 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.449 -1.695 5.843 1.00 0.00 C ATOM 1037 CD GLU A 64 -8.889 -1.376 6.256 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -9.197 -0.206 6.410 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -9.661 -2.310 6.410 1.00 0.00 O ATOM 0 H GLU A 64 -4.710 -1.355 5.526 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.928 -0.701 2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.186 -1.069 3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.286 -2.572 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.182 -2.701 6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.759 -1.009 6.333 1.00 0.00 H new ATOM 1046 N ALA A 65 -6.644 1.542 3.794 1.00 0.00 N ATOM 1047 CA ALA A 65 -6.715 2.949 4.292 1.00 0.00 C ATOM 1048 C ALA A 65 -7.835 3.718 3.580 1.00 0.00 C ATOM 1049 O ALA A 65 -8.233 3.380 2.479 1.00 0.00 O ATOM 1050 CB ALA A 65 -5.352 3.553 3.960 1.00 0.00 C ATOM 0 H ALA A 65 -7.058 1.386 2.875 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.935 2.996 5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.322 4.590 4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.570 2.986 4.465 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.190 3.515 2.883 1.00 0.00 H new ATOM 1056 N SER A 66 -8.348 4.750 4.205 1.00 0.00 N ATOM 1057 CA SER A 66 -9.447 5.545 3.573 1.00 0.00 C ATOM 1058 C SER A 66 -9.162 7.048 3.685 1.00 0.00 C ATOM 1059 O SER A 66 -8.606 7.514 4.661 1.00 0.00 O ATOM 1060 CB SER A 66 -10.722 5.187 4.350 1.00 0.00 C ATOM 1061 OG SER A 66 -10.639 3.853 4.844 1.00 0.00 O ATOM 0 H SER A 66 -8.053 5.076 5.125 1.00 0.00 H new ATOM 0 HA SER A 66 -9.542 5.317 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.859 5.882 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.592 5.289 3.702 1.00 0.00 H new ATOM 0 HG SER A 66 -11.150 3.780 5.677 1.00 0.00 H new ATOM 1067 N THR A 67 -9.553 7.806 2.689 1.00 0.00 N ATOM 1068 CA THR A 67 -9.325 9.287 2.713 1.00 0.00 C ATOM 1069 C THR A 67 -10.038 9.939 1.520 1.00 0.00 C ATOM 1070 O THR A 67 -10.233 9.316 0.495 1.00 0.00 O ATOM 1071 CB THR A 67 -7.801 9.473 2.613 1.00 0.00 C ATOM 1072 OG1 THR A 67 -7.485 10.858 2.721 1.00 0.00 O ATOM 1073 CG2 THR A 67 -7.288 8.921 1.278 1.00 0.00 C ATOM 0 H THR A 67 -10.024 7.460 1.853 1.00 0.00 H new ATOM 0 HA THR A 67 -9.719 9.753 3.616 1.00 0.00 H new ATOM 0 HB THR A 67 -7.319 8.927 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.172 11.191 1.854 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.208 9.058 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.523 7.859 1.209 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.767 9.453 0.456 1.00 0.00 H new ATOM 1081 N ARG A 68 -10.430 11.185 1.647 1.00 0.00 N ATOM 1082 CA ARG A 68 -11.144 11.876 0.519 1.00 0.00 C ATOM 1083 C ARG A 68 -10.302 11.862 -0.769 1.00 0.00 C ATOM 1084 O ARG A 68 -10.840 11.912 -1.861 1.00 0.00 O ATOM 1085 CB ARG A 68 -11.366 13.317 0.997 1.00 0.00 C ATOM 1086 CG ARG A 68 -12.868 13.616 1.044 1.00 0.00 C ATOM 1087 CD ARG A 68 -13.165 14.884 0.237 1.00 0.00 C ATOM 1088 NE ARG A 68 -14.611 14.786 -0.120 1.00 0.00 N ATOM 1089 CZ ARG A 68 -14.974 14.734 -1.374 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -14.786 15.767 -2.154 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -15.525 13.647 -1.848 1.00 0.00 N ATOM 0 H ARG A 68 -10.288 11.755 2.481 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.081 11.374 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -10.926 13.455 1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.867 14.015 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.429 12.775 0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -13.191 13.746 2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.963 15.781 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -12.541 14.939 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 68 -15.317 14.760 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.356 16.614 -1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -15.070 15.725 -3.133 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.671 12.842 -1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.809 13.604 -2.827 1.00 0.00 H new ATOM 1105 N SER A 69 -8.996 11.799 -0.655 1.00 0.00 N ATOM 1106 CA SER A 69 -8.126 11.784 -1.877 1.00 0.00 C ATOM 1107 C SER A 69 -8.370 10.512 -2.698 1.00 0.00 C ATOM 1108 O SER A 69 -8.409 9.416 -2.169 1.00 0.00 O ATOM 1109 CB SER A 69 -6.675 11.822 -1.374 1.00 0.00 C ATOM 1110 OG SER A 69 -6.633 11.652 0.042 1.00 0.00 O ATOM 0 H SER A 69 -8.494 11.757 0.232 1.00 0.00 H new ATOM 0 HA SER A 69 -8.345 12.633 -2.525 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.095 11.036 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.214 12.772 -1.646 1.00 0.00 H new ATOM 0 HG SER A 69 -5.702 11.677 0.347 1.00 0.00 H new ATOM 1116 N GLN A 70 -8.531 10.656 -3.992 1.00 0.00 N ATOM 1117 CA GLN A 70 -8.775 9.467 -4.869 1.00 0.00 C ATOM 1118 C GLN A 70 -7.507 8.610 -4.980 1.00 0.00 C ATOM 1119 O GLN A 70 -7.527 7.418 -4.730 1.00 0.00 O ATOM 1120 CB GLN A 70 -9.156 10.046 -6.236 1.00 0.00 C ATOM 1121 CG GLN A 70 -10.650 10.387 -6.252 1.00 0.00 C ATOM 1122 CD GLN A 70 -10.835 11.907 -6.253 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -10.669 12.550 -7.270 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -11.175 12.514 -5.147 1.00 0.00 N ATOM 0 H GLN A 70 -8.504 11.551 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.556 8.820 -4.470 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.567 10.940 -6.441 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -8.928 9.327 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.122 9.953 -7.134 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.141 9.952 -5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.315 11.976 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.301 13.526 -5.139 1.00 0.00 H new ATOM 1133 N SER A 71 -6.403 9.210 -5.348 1.00 0.00 N ATOM 1134 CA SER A 71 -5.130 8.439 -5.466 1.00 0.00 C ATOM 1135 C SER A 71 -4.492 8.262 -4.084 1.00 0.00 C ATOM 1136 O SER A 71 -3.787 7.302 -3.838 1.00 0.00 O ATOM 1137 CB SER A 71 -4.227 9.281 -6.368 1.00 0.00 C ATOM 1138 OG SER A 71 -4.881 9.507 -7.610 1.00 0.00 O ATOM 0 H SER A 71 -6.329 10.202 -5.572 1.00 0.00 H new ATOM 0 HA SER A 71 -5.292 7.442 -5.876 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.998 10.232 -5.887 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.278 8.770 -6.531 1.00 0.00 H new ATOM 0 HG SER A 71 -4.305 10.048 -8.189 1.00 0.00 H new ATOM 1144 N GLY A 72 -4.736 9.185 -3.182 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.153 9.083 -1.813 1.00 0.00 C ATOM 1146 C GLY A 72 -4.651 7.809 -1.123 1.00 0.00 C ATOM 1147 O GLY A 72 -3.882 7.100 -0.507 1.00 0.00 O ATOM 0 H GLY A 72 -5.318 10.008 -3.341 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.065 9.072 -1.873 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.431 9.957 -1.225 1.00 0.00 H new ATOM 1151 N VAL A 73 -5.928 7.512 -1.223 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.464 6.276 -0.564 1.00 0.00 C ATOM 1153 C VAL A 73 -5.734 5.031 -1.091 1.00 0.00 C ATOM 1154 O VAL A 73 -5.471 4.102 -0.351 1.00 0.00 O ATOM 1155 CB VAL A 73 -7.968 6.239 -0.899 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.218 5.482 -2.208 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.717 5.537 0.234 1.00 0.00 C ATOM 0 H VAL A 73 -6.617 8.068 -1.729 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.309 6.287 0.515 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.324 7.263 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.287 5.470 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.690 5.979 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -7.855 4.459 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.782 5.508 0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.341 4.520 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.563 6.083 1.165 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.394 5.018 -2.357 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.668 3.845 -2.925 1.00 0.00 C ATOM 1169 C ALA A 74 -3.231 3.827 -2.402 1.00 0.00 C ATOM 1170 O ALA A 74 -2.717 2.794 -2.016 1.00 0.00 O ATOM 1171 CB ALA A 74 -4.694 4.040 -4.443 1.00 0.00 C ATOM 0 H ALA A 74 -5.589 5.769 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.126 2.897 -2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.176 3.211 -4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.727 4.072 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.197 4.976 -4.698 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.586 4.967 -2.371 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.190 5.027 -1.854 1.00 0.00 C ATOM 1179 C GLY A 75 -1.201 4.709 -0.355 1.00 0.00 C ATOM 1180 O GLY A 75 -0.326 4.032 0.149 1.00 0.00 O ATOM 0 H GLY A 75 -2.970 5.859 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.560 4.314 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.767 6.017 -2.026 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.200 5.187 0.356 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.288 4.910 1.820 1.00 0.00 C ATOM 1186 C LYS A 76 -2.505 3.410 2.058 1.00 0.00 C ATOM 1187 O LYS A 76 -1.918 2.832 2.952 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.489 5.720 2.319 1.00 0.00 C ATOM 1189 CG LYS A 76 -3.017 7.084 2.833 1.00 0.00 C ATOM 1190 CD LYS A 76 -3.517 7.292 4.266 1.00 0.00 C ATOM 1191 CE LYS A 76 -2.569 8.236 5.015 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.411 7.391 5.428 1.00 0.00 N ATOM 0 H LYS A 76 -2.957 5.758 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.375 5.188 2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.209 5.855 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.000 5.178 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.929 7.138 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.392 7.878 2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.524 7.709 4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.575 6.334 4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.247 9.058 4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -3.060 8.680 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.336 7.387 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.552 6.418 5.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.536 7.777 5.019 1.00 0.00 H new ATOM 1206 N THR A 77 -3.330 2.775 1.253 1.00 0.00 N ATOM 1207 CA THR A 77 -3.569 1.307 1.420 1.00 0.00 C ATOM 1208 C THR A 77 -2.244 0.555 1.251 1.00 0.00 C ATOM 1209 O THR A 77 -1.924 -0.340 2.013 1.00 0.00 O ATOM 1210 CB THR A 77 -4.563 0.933 0.307 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.829 1.518 0.583 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.713 -0.588 0.227 1.00 0.00 C ATOM 0 H THR A 77 -3.846 3.212 0.489 1.00 0.00 H new ATOM 0 HA THR A 77 -3.962 1.050 2.404 1.00 0.00 H new ATOM 0 HB THR A 77 -4.186 1.306 -0.645 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.827 2.454 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.419 -0.843 -0.564 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.745 -1.038 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.083 -0.968 1.179 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.467 0.928 0.265 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.152 0.258 0.050 1.00 0.00 C ATOM 1222 C ALA A 78 0.805 0.615 1.194 1.00 0.00 C ATOM 1223 O ALA A 78 1.569 -0.213 1.653 1.00 0.00 O ATOM 1224 CB ALA A 78 0.364 0.807 -1.283 1.00 0.00 C ATOM 0 H ALA A 78 -1.689 1.669 -0.400 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.235 -0.829 0.030 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.331 0.359 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.344 0.564 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.472 1.889 -1.213 1.00 0.00 H new ATOM 1230 N LYS A 79 0.752 1.839 1.668 1.00 0.00 N ATOM 1231 CA LYS A 79 1.644 2.252 2.795 1.00 0.00 C ATOM 1232 C LYS A 79 1.282 1.457 4.056 1.00 0.00 C ATOM 1233 O LYS A 79 2.148 1.024 4.795 1.00 0.00 O ATOM 1234 CB LYS A 79 1.372 3.748 3.000 1.00 0.00 C ATOM 1235 CG LYS A 79 2.588 4.413 3.654 1.00 0.00 C ATOM 1236 CD LYS A 79 2.339 4.573 5.157 1.00 0.00 C ATOM 1237 CE LYS A 79 3.591 5.147 5.830 1.00 0.00 C ATOM 1238 NZ LYS A 79 3.895 4.214 6.953 1.00 0.00 N ATOM 0 H LYS A 79 0.129 2.568 1.321 1.00 0.00 H new ATOM 0 HA LYS A 79 2.697 2.064 2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.158 4.222 2.042 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.491 3.884 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.480 3.810 3.485 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.771 5.387 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.488 5.233 5.326 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.087 3.609 5.598 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.424 5.204 5.129 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.413 6.158 6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.666 4.605 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.047 4.094 7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.184 3.291 6.569 1.00 0.00 H new ATOM 1252 N ASP A 80 0.006 1.252 4.295 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.425 0.473 5.498 1.00 0.00 C ATOM 1254 C ASP A 80 0.125 -0.954 5.424 1.00 0.00 C ATOM 1255 O ASP A 80 0.567 -1.506 6.414 1.00 0.00 O ATOM 1256 CB ASP A 80 -1.959 0.459 5.449 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.518 1.489 6.434 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -2.490 2.667 6.112 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -2.961 1.083 7.493 1.00 0.00 O ATOM 0 H ASP A 80 -0.755 1.592 3.707 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.056 0.914 6.424 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.302 0.684 4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.331 -0.535 5.698 1.00 0.00 H new ATOM 1264 N PHE A 81 0.110 -1.551 4.259 1.00 0.00 N ATOM 1265 CA PHE A 81 0.645 -2.940 4.126 1.00 0.00 C ATOM 1266 C PHE A 81 2.171 -2.932 4.284 1.00 0.00 C ATOM 1267 O PHE A 81 2.740 -3.825 4.884 1.00 0.00 O ATOM 1268 CB PHE A 81 0.249 -3.400 2.718 1.00 0.00 C ATOM 1269 CG PHE A 81 0.333 -4.909 2.633 1.00 0.00 C ATOM 1270 CD1 PHE A 81 1.582 -5.544 2.627 1.00 0.00 C ATOM 1271 CD2 PHE A 81 -0.837 -5.670 2.555 1.00 0.00 C ATOM 1272 CE1 PHE A 81 1.657 -6.939 2.546 1.00 0.00 C ATOM 1273 CE2 PHE A 81 -0.762 -7.065 2.473 1.00 0.00 C ATOM 1274 CZ PHE A 81 0.486 -7.700 2.469 1.00 0.00 C ATOM 0 H PHE A 81 -0.248 -1.139 3.398 1.00 0.00 H new ATOM 0 HA PHE A 81 0.247 -3.608 4.890 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.764 -3.069 2.488 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.908 -2.947 1.978 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.487 -4.957 2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -1.800 -5.181 2.558 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.620 -7.428 2.543 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.667 -7.652 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.544 -8.777 2.407 1.00 0.00 H new ATOM 1284 N VAL A 82 2.838 -1.934 3.756 1.00 0.00 N ATOM 1285 CA VAL A 82 4.326 -1.879 3.888 1.00 0.00 C ATOM 1286 C VAL A 82 4.713 -1.540 5.333 1.00 0.00 C ATOM 1287 O VAL A 82 5.713 -2.016 5.836 1.00 0.00 O ATOM 1288 CB VAL A 82 4.798 -0.789 2.916 1.00 0.00 C ATOM 1289 CG1 VAL A 82 6.317 -0.623 3.030 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.445 -1.196 1.483 1.00 0.00 C ATOM 0 H VAL A 82 2.418 -1.159 3.242 1.00 0.00 H new ATOM 0 HA VAL A 82 4.792 -2.836 3.652 1.00 0.00 H new ATOM 0 HB VAL A 82 4.307 0.152 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.651 0.151 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.576 -0.337 4.049 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.806 -1.565 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.780 -0.422 0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.938 -2.137 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.365 -1.318 1.395 1.00 0.00 H new ATOM 1300 N ARG A 83 3.921 -0.741 6.013 1.00 0.00 N ATOM 1301 CA ARG A 83 4.242 -0.399 7.433 1.00 0.00 C ATOM 1302 C ARG A 83 4.075 -1.645 8.305 1.00 0.00 C ATOM 1303 O ARG A 83 4.888 -1.920 9.167 1.00 0.00 O ATOM 1304 CB ARG A 83 3.234 0.686 7.829 1.00 0.00 C ATOM 1305 CG ARG A 83 3.677 1.362 9.133 1.00 0.00 C ATOM 1306 CD ARG A 83 2.743 0.937 10.272 1.00 0.00 C ATOM 1307 NE ARG A 83 2.594 2.149 11.135 1.00 0.00 N ATOM 1308 CZ ARG A 83 1.404 2.625 11.404 1.00 0.00 C ATOM 1309 NH1 ARG A 83 0.451 1.823 11.808 1.00 0.00 N ATOM 1310 NH2 ARG A 83 1.169 3.907 11.276 1.00 0.00 N ATOM 0 H ARG A 83 3.071 -0.314 5.646 1.00 0.00 H new ATOM 0 HA ARG A 83 5.266 -0.049 7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.154 1.428 7.034 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.245 0.246 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.704 1.084 9.368 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.658 2.446 9.018 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.778 0.608 9.887 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.163 0.103 10.834 1.00 0.00 H new ATOM 0 HE ARG A 83 3.422 2.607 11.516 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.635 0.825 11.914 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.475 2.196 12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.912 4.533 10.967 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.243 4.279 11.485 1.00 0.00 H new ATOM 1324 N LYS A 84 3.042 -2.416 8.067 1.00 0.00 N ATOM 1325 CA LYS A 84 2.842 -3.660 8.863 1.00 0.00 C ATOM 1326 C LYS A 84 3.876 -4.703 8.426 1.00 0.00 C ATOM 1327 O LYS A 84 4.404 -5.443 9.235 1.00 0.00 O ATOM 1328 CB LYS A 84 1.420 -4.130 8.545 1.00 0.00 C ATOM 1329 CG LYS A 84 0.821 -4.822 9.775 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.554 -4.220 10.091 1.00 0.00 C ATOM 1331 CE LYS A 84 -1.552 -4.600 8.990 1.00 0.00 C ATOM 1332 NZ LYS A 84 -2.005 -5.981 9.327 1.00 0.00 N ATOM 0 H LYS A 84 2.332 -2.236 7.357 1.00 0.00 H new ATOM 0 HA LYS A 84 2.967 -3.500 9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.801 -3.280 8.256 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.434 -4.817 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.726 -5.892 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.486 -4.703 10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.907 -4.583 11.056 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.478 -3.135 10.167 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.392 -3.906 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.083 -4.569 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.035 -6.557 8.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.342 -6.408 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.954 -5.941 9.750 1.00 0.00 H new ATOM 1346 N ALA A 85 4.191 -4.745 7.150 1.00 0.00 N ATOM 1347 CA ALA A 85 5.214 -5.713 6.658 1.00 0.00 C ATOM 1348 C ALA A 85 6.592 -5.310 7.196 1.00 0.00 C ATOM 1349 O ALA A 85 7.396 -6.151 7.549 1.00 0.00 O ATOM 1350 CB ALA A 85 5.179 -5.611 5.131 1.00 0.00 C ATOM 0 H ALA A 85 3.781 -4.148 6.432 1.00 0.00 H new ATOM 0 HA ALA A 85 5.016 -6.733 6.988 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.909 -6.298 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.183 -5.870 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.420 -4.592 4.829 1.00 0.00 H new ATOM 1356 N PHE A 86 6.859 -4.022 7.281 1.00 0.00 N ATOM 1357 CA PHE A 86 8.174 -3.558 7.822 1.00 0.00 C ATOM 1358 C PHE A 86 8.324 -4.035 9.270 1.00 0.00 C ATOM 1359 O PHE A 86 9.369 -4.509 9.670 1.00 0.00 O ATOM 1360 CB PHE A 86 8.129 -2.021 7.777 1.00 0.00 C ATOM 1361 CG PHE A 86 9.183 -1.495 6.827 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.541 -1.723 7.086 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.799 -0.769 5.694 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.513 -1.224 6.210 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.771 -0.271 4.817 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.128 -0.499 5.076 1.00 0.00 C ATOM 0 H PHE A 86 6.221 -3.278 6.998 1.00 0.00 H new ATOM 0 HA PHE A 86 9.014 -3.949 7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 86 7.142 -1.688 7.457 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.294 -1.616 8.775 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.838 -2.283 7.960 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.752 -0.593 5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.560 -1.399 6.409 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.474 0.288 3.942 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.878 -0.115 4.400 1.00 0.00 H new ATOM 1376 N GLN A 87 7.277 -3.916 10.053 1.00 0.00 N ATOM 1377 CA GLN A 87 7.344 -4.365 11.478 1.00 0.00 C ATOM 1378 C GLN A 87 7.465 -5.896 11.556 1.00 0.00 C ATOM 1379 O GLN A 87 8.155 -6.426 12.406 1.00 0.00 O ATOM 1380 CB GLN A 87 6.027 -3.900 12.105 1.00 0.00 C ATOM 1381 CG GLN A 87 6.068 -2.386 12.327 1.00 0.00 C ATOM 1382 CD GLN A 87 4.848 -1.957 13.141 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.797 -1.692 12.590 1.00 0.00 O ATOM 1384 NE2 GLN A 87 4.939 -1.878 14.442 1.00 0.00 N ATOM 0 H GLN A 87 6.379 -3.527 9.765 1.00 0.00 H new ATOM 0 HA GLN A 87 8.211 -3.954 11.995 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.192 -4.159 11.455 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.864 -4.412 13.053 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.983 -2.109 12.850 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.080 -1.867 11.368 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.820 -2.100 14.906 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.129 -1.594 14.994 1.00 0.00 H new ATOM 1393 N LYS A 88 6.798 -6.607 10.678 1.00 0.00 N ATOM 1394 CA LYS A 88 6.873 -8.101 10.704 1.00 0.00 C ATOM 1395 C LYS A 88 8.243 -8.578 10.207 1.00 0.00 C ATOM 1396 O LYS A 88 8.914 -9.352 10.863 1.00 0.00 O ATOM 1397 CB LYS A 88 5.760 -8.582 9.764 1.00 0.00 C ATOM 1398 CG LYS A 88 4.439 -8.681 10.533 1.00 0.00 C ATOM 1399 CD LYS A 88 4.421 -9.968 11.370 1.00 0.00 C ATOM 1400 CE LYS A 88 3.666 -11.070 10.616 1.00 0.00 C ATOM 1401 NZ LYS A 88 2.346 -11.186 11.303 1.00 0.00 N ATOM 0 H LYS A 88 6.205 -6.217 9.945 1.00 0.00 H new ATOM 0 HA LYS A 88 6.749 -8.496 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.654 -7.891 8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.021 -9.553 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.319 -7.813 11.181 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.601 -8.677 9.836 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.441 -10.291 11.578 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.943 -9.780 12.332 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.540 -10.812 9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.211 -12.013 10.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.777 -11.922 10.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.495 -11.440 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.845 -10.276 11.249 1.00 0.00 H new ATOM 1415 N GLY A 89 8.660 -8.120 9.052 1.00 0.00 N ATOM 1416 CA GLY A 89 9.979 -8.536 8.501 1.00 0.00 C ATOM 1417 C GLY A 89 9.804 -9.015 7.057 1.00 0.00 C ATOM 1418 O GLY A 89 10.199 -10.111 6.710 1.00 0.00 O ATOM 0 H GLY A 89 8.136 -7.471 8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.679 -7.701 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.404 -9.333 9.110 1.00 0.00 H new ATOM 1422 N LEU A 90 9.212 -8.203 6.216 1.00 0.00 N ATOM 1423 CA LEU A 90 9.006 -8.610 4.793 1.00 0.00 C ATOM 1424 C LEU A 90 9.521 -7.521 3.842 1.00 0.00 C ATOM 1425 O LEU A 90 10.266 -7.797 2.922 1.00 0.00 O ATOM 1426 CB LEU A 90 7.491 -8.788 4.639 1.00 0.00 C ATOM 1427 CG LEU A 90 7.093 -10.218 5.026 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.591 -10.404 4.806 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.856 -11.225 4.159 1.00 0.00 C ATOM 0 H LEU A 90 8.862 -7.275 6.455 1.00 0.00 H new ATOM 0 HA LEU A 90 9.549 -9.523 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.966 -8.071 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.195 -8.584 3.610 1.00 0.00 H new ATOM 0 HG LEU A 90 7.338 -10.385 6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.306 -11.420 5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.042 -9.694 5.424 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.353 -10.231 3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.568 -12.238 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.616 -11.057 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.928 -11.097 4.311 1.00 0.00 H new ATOM 1441 N ILE A 91 9.131 -6.288 4.055 1.00 0.00 N ATOM 1442 CA ILE A 91 9.598 -5.188 3.165 1.00 0.00 C ATOM 1443 C ILE A 91 10.837 -4.518 3.772 1.00 0.00 C ATOM 1444 O ILE A 91 10.732 -3.584 4.543 1.00 0.00 O ATOM 1445 CB ILE A 91 8.421 -4.202 3.083 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.249 -4.858 2.338 1.00 0.00 C ATOM 1447 CG2 ILE A 91 8.852 -2.935 2.334 1.00 0.00 C ATOM 1448 CD1 ILE A 91 7.654 -5.166 0.893 1.00 0.00 C ATOM 0 H ILE A 91 8.508 -5.999 4.809 1.00 0.00 H new ATOM 0 HA ILE A 91 9.883 -5.546 2.176 1.00 0.00 H new ATOM 0 HB ILE A 91 8.110 -3.936 4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.953 -5.776 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.384 -4.195 2.349 1.00 0.00 H new ATOM 0 HG21 ILE A 91 8.013 -2.241 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.680 -2.463 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.170 -3.199 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 91 6.817 -5.631 0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.928 -4.240 0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.506 -5.846 0.891 1.00 0.00 H new ATOM 1460 N SER A 92 12.007 -4.995 3.429 1.00 0.00 N ATOM 1461 CA SER A 92 13.259 -4.389 3.977 1.00 0.00 C ATOM 1462 C SER A 92 13.570 -3.084 3.234 1.00 0.00 C ATOM 1463 O SER A 92 12.959 -2.775 2.227 1.00 0.00 O ATOM 1464 CB SER A 92 14.370 -5.420 3.734 1.00 0.00 C ATOM 1465 OG SER A 92 13.812 -6.727 3.654 1.00 0.00 O ATOM 0 H SER A 92 12.149 -5.779 2.792 1.00 0.00 H new ATOM 0 HA SER A 92 13.165 -4.152 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.900 -5.185 2.811 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.101 -5.376 4.541 1.00 0.00 H new ATOM 0 HG SER A 92 14.527 -7.379 3.497 1.00 0.00 H new ATOM 1471 N GLN A 93 14.512 -2.318 3.722 1.00 0.00 N ATOM 1472 CA GLN A 93 14.861 -1.030 3.045 1.00 0.00 C ATOM 1473 C GLN A 93 15.437 -1.297 1.649 1.00 0.00 C ATOM 1474 O GLN A 93 14.955 -0.774 0.662 1.00 0.00 O ATOM 1475 CB GLN A 93 15.910 -0.366 3.946 1.00 0.00 C ATOM 1476 CG GLN A 93 15.277 0.815 4.692 1.00 0.00 C ATOM 1477 CD GLN A 93 15.605 0.723 6.185 1.00 0.00 C ATOM 1478 OE1 GLN A 93 16.730 0.456 6.559 1.00 0.00 O ATOM 1479 NE2 GLN A 93 14.662 0.937 7.063 1.00 0.00 N ATOM 0 H GLN A 93 15.055 -2.528 4.560 1.00 0.00 H new ATOM 0 HA GLN A 93 13.987 -0.393 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.302 -1.091 4.659 1.00 0.00 H new ATOM 0 HB3 GLN A 93 16.752 -0.021 3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.650 1.755 4.286 1.00 0.00 H new ATOM 0 HG3 GLN A 93 14.197 0.811 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 93 13.717 1.161 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 93 14.871 0.880 8.060 1.00 0.00 H new ATOM 1488 N GLN A 94 16.461 -2.109 1.560 1.00 0.00 N ATOM 1489 CA GLN A 94 17.066 -2.408 0.224 1.00 0.00 C ATOM 1490 C GLN A 94 16.107 -3.250 -0.625 1.00 0.00 C ATOM 1491 O GLN A 94 16.016 -3.072 -1.825 1.00 0.00 O ATOM 1492 CB GLN A 94 18.350 -3.184 0.522 1.00 0.00 C ATOM 1493 CG GLN A 94 19.542 -2.225 0.496 1.00 0.00 C ATOM 1494 CD GLN A 94 20.843 -3.028 0.433 1.00 0.00 C ATOM 1495 OE1 GLN A 94 21.559 -3.120 1.411 1.00 0.00 O ATOM 1496 NE2 GLN A 94 21.182 -3.620 -0.680 1.00 0.00 N ATOM 0 H GLN A 94 16.903 -2.577 2.351 1.00 0.00 H new ATOM 0 HA GLN A 94 17.268 -1.499 -0.342 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.278 -3.666 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.489 -3.975 -0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 94 19.470 -1.562 -0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.534 -1.594 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.582 -3.544 -1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.047 -4.159 -0.728 1.00 0.00 H new ATOM 1505 N GLU A 95 15.388 -4.162 -0.015 1.00 0.00 N ATOM 1506 CA GLU A 95 14.428 -5.008 -0.794 1.00 0.00 C ATOM 1507 C GLU A 95 13.346 -4.128 -1.426 1.00 0.00 C ATOM 1508 O GLU A 95 13.000 -4.296 -2.582 1.00 0.00 O ATOM 1509 CB GLU A 95 13.811 -5.973 0.221 1.00 0.00 C ATOM 1510 CG GLU A 95 14.207 -7.410 -0.129 1.00 0.00 C ATOM 1511 CD GLU A 95 12.953 -8.280 -0.223 1.00 0.00 C ATOM 1512 OE1 GLU A 95 12.360 -8.543 0.809 1.00 0.00 O ATOM 1513 OE2 GLU A 95 12.608 -8.670 -1.325 1.00 0.00 O ATOM 0 H GLU A 95 15.424 -4.357 0.986 1.00 0.00 H new ATOM 0 HA GLU A 95 14.922 -5.544 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.152 -5.726 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.726 -5.874 0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.746 -7.429 -1.076 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.881 -7.807 0.630 1.00 0.00 H new ATOM 1520 N ALA A 96 12.824 -3.177 -0.686 1.00 0.00 N ATOM 1521 CA ALA A 96 11.781 -2.275 -1.255 1.00 0.00 C ATOM 1522 C ALA A 96 12.404 -1.426 -2.365 1.00 0.00 C ATOM 1523 O ALA A 96 11.790 -1.174 -3.383 1.00 0.00 O ATOM 1524 CB ALA A 96 11.322 -1.396 -0.090 1.00 0.00 C ATOM 0 H ALA A 96 13.077 -2.990 0.284 1.00 0.00 H new ATOM 0 HA ALA A 96 10.943 -2.820 -1.689 1.00 0.00 H new ATOM 0 HB1 ALA A 96 10.553 -0.706 -0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.915 -2.025 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.170 -0.830 0.295 1.00 0.00 H new ATOM 1530 N ASN A 97 13.633 -1.005 -2.176 1.00 0.00 N ATOM 1531 CA ASN A 97 14.327 -0.191 -3.218 1.00 0.00 C ATOM 1532 C ASN A 97 14.487 -1.014 -4.502 1.00 0.00 C ATOM 1533 O ASN A 97 14.289 -0.513 -5.594 1.00 0.00 O ATOM 1534 CB ASN A 97 15.695 0.145 -2.616 1.00 0.00 C ATOM 1535 CG ASN A 97 16.423 1.158 -3.505 1.00 0.00 C ATOM 1536 OD1 ASN A 97 15.800 1.931 -4.206 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.727 1.190 -3.504 1.00 0.00 N ATOM 0 H ASN A 97 14.185 -1.193 -1.339 1.00 0.00 H new ATOM 0 HA ASN A 97 13.771 0.709 -3.482 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.570 0.553 -1.613 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.292 -0.762 -2.520 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.221 1.863 -4.090 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.253 0.543 -2.917 1.00 0.00 H new ATOM 1544 N GLN A 98 14.827 -2.276 -4.379 1.00 0.00 N ATOM 1545 CA GLN A 98 14.977 -3.130 -5.596 1.00 0.00 C ATOM 1546 C GLN A 98 13.620 -3.260 -6.293 1.00 0.00 C ATOM 1547 O GLN A 98 13.525 -3.176 -7.501 1.00 0.00 O ATOM 1548 CB GLN A 98 15.469 -4.493 -5.092 1.00 0.00 C ATOM 1549 CG GLN A 98 16.775 -4.859 -5.803 1.00 0.00 C ATOM 1550 CD GLN A 98 17.652 -5.697 -4.870 1.00 0.00 C ATOM 1551 OE1 GLN A 98 18.522 -5.174 -4.202 1.00 0.00 O ATOM 1552 NE2 GLN A 98 17.463 -6.987 -4.796 1.00 0.00 N ATOM 0 H GLN A 98 15.006 -2.747 -3.492 1.00 0.00 H new ATOM 0 HA GLN A 98 15.676 -2.708 -6.318 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.627 -4.459 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 98 14.714 -5.256 -5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.560 -5.417 -6.715 1.00 0.00 H new ATOM 0 HG3 GLN A 98 17.305 -3.954 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.733 -7.428 -5.356 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.045 -7.553 -4.179 1.00 0.00 H new ATOM 1561 N TRP A 99 12.562 -3.436 -5.535 1.00 0.00 N ATOM 1562 CA TRP A 99 11.207 -3.535 -6.158 1.00 0.00 C ATOM 1563 C TRP A 99 10.842 -2.183 -6.780 1.00 0.00 C ATOM 1564 O TRP A 99 10.221 -2.114 -7.824 1.00 0.00 O ATOM 1565 CB TRP A 99 10.249 -3.875 -5.013 1.00 0.00 C ATOM 1566 CG TRP A 99 8.894 -4.172 -5.579 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.590 -5.253 -6.334 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.664 -3.397 -5.458 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.254 -5.190 -6.685 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.640 -4.067 -6.168 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.338 -2.194 -4.806 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.342 -3.559 -6.231 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.032 -1.683 -4.868 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.037 -2.364 -5.580 1.00 0.00 C ATOM 0 H TRP A 99 12.580 -3.515 -4.518 1.00 0.00 H new ATOM 0 HA TRP A 99 11.163 -4.288 -6.945 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.620 -4.735 -4.455 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.190 -3.042 -4.313 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.278 -6.036 -6.616 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.780 -5.889 -7.257 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.097 -1.660 -4.254 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.578 -4.088 -6.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 5.793 -0.759 -4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.035 -1.964 -5.625 1.00 0.00 H new ATOM 1585 N LEU A 100 11.234 -1.110 -6.133 1.00 0.00 N ATOM 1586 CA LEU A 100 10.934 0.254 -6.665 1.00 0.00 C ATOM 1587 C LEU A 100 11.540 0.415 -8.062 1.00 0.00 C ATOM 1588 O LEU A 100 10.906 0.930 -8.964 1.00 0.00 O ATOM 1589 CB LEU A 100 11.590 1.230 -5.678 1.00 0.00 C ATOM 1590 CG LEU A 100 11.066 2.646 -5.925 1.00 0.00 C ATOM 1591 CD1 LEU A 100 9.564 2.699 -5.629 1.00 0.00 C ATOM 1592 CD2 LEU A 100 11.799 3.626 -5.004 1.00 0.00 C ATOM 0 H LEU A 100 11.752 -1.123 -5.254 1.00 0.00 H new ATOM 0 HA LEU A 100 9.863 0.434 -6.756 1.00 0.00 H new ATOM 0 HB2 LEU A 100 11.374 0.926 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.673 1.207 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 100 11.240 2.919 -6.966 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.194 3.709 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.040 2.001 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.388 2.425 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 100 11.428 4.636 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 100 11.624 3.349 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 100 12.868 3.592 -5.213 1.00 0.00 H new