USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 986 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 107 GLN : amide:sc= -4.01 K(o=-4.1,f=-9.5!) USER MOD Set 1.2: A 125 GLN :FLIP amide:sc= -0.0881 F(o=-4.9,f=-4.1) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 TYR OH : rot 106:sc= -0.761 USER MOD Single : A 11 GLN : amide:sc= -0.0282 K(o=-0.028,f=-5.4!) USER MOD Single : A 12 GLN :FLIP amide:sc= -2.84 F(o=-3.4,f=-2.8) USER MOD Single : A 25 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.349 K(o=-0.35,f=-2.2!) USER MOD Single : A 31 ASN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -127:sc= -1.06 (180deg=-2.79!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0.41 (180deg=0.398) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0141 USER MOD Single : A 40 HIS : no HE2:sc= -9.65! C(o=-9.6!,f=-11!) USER MOD Single : A 49 GLN : amide:sc= -3.42 X(o=-3.4,f=-3.1!) USER MOD Single : A 50 MET CE :methyl 175:sc= -3.08! (180deg=-3.52!) USER MOD Single : A 53 HIS :FLIP no HD1:sc= -0.938 F(o=-1.9,f=-0.94) USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0412) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 180:sc= -6.32! (180deg=-6.32!) USER MOD Single : A 71 CYS SG : rot 112:sc= -1.84! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 1.13 K(o=1.1,f=-0.13) USER MOD Single : A 78 THR OG1 : rot -20:sc= -0.664 USER MOD Single : A 81 THR OG1 : rot -91:sc= 0.0689 USER MOD Single : A 83 LYS NZ :NH3+ -152:sc= -0.675 (180deg=-1.62!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot -129:sc= -1.37 USER MOD Single : A 104 GLN :FLIP amide:sc= -2.58! F(o=-3.1,f=-2.6!) USER MOD Single : A 108 SER OG : rot 80:sc= 1.26 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= -0.747 USER MOD Single : A 121 THR OG1 : rot -91:sc= -1.19 USER MOD Single : A 123 MET CE :methyl -136:sc= -7.34! (180deg=-11.6!) USER MOD Single : A 126 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 156 N ARG A 10 8.012 16.467 5.333 1.00 0.00 N ATOM 157 CA ARG A 10 8.676 15.169 5.326 1.00 0.00 C ATOM 158 C ARG A 10 8.842 14.653 3.900 1.00 0.00 C ATOM 159 O ARG A 10 8.443 15.312 2.940 1.00 0.00 O ATOM 160 CB ARG A 10 7.877 14.160 6.154 1.00 0.00 C ATOM 161 CG ARG A 10 8.019 14.357 7.654 1.00 0.00 C ATOM 162 CD ARG A 10 7.229 13.316 8.430 1.00 0.00 C ATOM 163 NE ARG A 10 7.030 13.707 9.825 1.00 0.00 N ATOM 164 CZ ARG A 10 6.128 13.149 10.629 1.00 0.00 C ATOM 165 NH1 ARG A 10 5.341 12.178 10.185 1.00 0.00 N ATOM 166 NH2 ARG A 10 6.013 13.565 11.883 1.00 0.00 N ATOM 0 HA ARG A 10 9.665 15.291 5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.824 14.234 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.202 13.152 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.071 14.298 7.932 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.673 15.354 7.925 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.260 13.167 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.753 12.361 8.392 1.00 0.00 H new ATOM 0 HE ARG A 10 7.617 14.451 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.425 11.854 9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.652 11.755 10.807 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.615 14.312 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.322 13.138 12.501 1.00 0.00 H new ATOM 180 N GLN A 11 9.437 13.471 3.767 1.00 0.00 N ATOM 181 CA GLN A 11 9.655 12.867 2.457 1.00 0.00 C ATOM 182 C GLN A 11 8.563 11.850 2.139 1.00 0.00 C ATOM 183 O GLN A 11 7.785 11.467 3.010 1.00 0.00 O ATOM 184 CB GLN A 11 11.031 12.197 2.405 1.00 0.00 C ATOM 185 CG GLN A 11 11.940 12.758 1.324 1.00 0.00 C ATOM 186 CD GLN A 11 11.801 12.022 0.005 1.00 0.00 C ATOM 187 OE1 GLN A 11 11.118 11.001 -0.080 1.00 0.00 O ATOM 188 NE2 GLN A 11 12.449 12.540 -1.032 1.00 0.00 N ATOM 0 H GLN A 11 9.777 12.913 4.550 1.00 0.00 H new ATOM 0 HA GLN A 11 9.617 13.657 1.707 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.518 12.311 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.899 11.128 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.711 13.813 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 11 12.975 12.702 1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.003 13.388 -0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.392 12.090 -1.945 1.00 0.00 H new ATOM 197 N GLN A 12 8.514 11.419 0.882 1.00 0.00 N ATOM 198 CA GLN A 12 7.519 10.445 0.445 1.00 0.00 C ATOM 199 C GLN A 12 8.189 9.181 -0.078 1.00 0.00 C ATOM 200 O GLN A 12 8.789 9.184 -1.153 1.00 0.00 O ATOM 201 CB GLN A 12 6.630 11.050 -0.643 1.00 0.00 C ATOM 202 CG GLN A 12 5.661 12.099 -0.126 1.00 0.00 C ATOM 203 CD GLN A 12 6.360 13.235 0.597 1.00 0.00 C ATOM 204 OE1 GLN A 12 6.074 13.379 1.886 1.00 0.00 O flip ATOM 205 NE2 GLN A 12 7.147 13.972 0.004 1.00 0.00 N flip ATOM 0 H GLN A 12 9.151 11.729 0.148 1.00 0.00 H new ATOM 0 HA GLN A 12 6.904 10.180 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.263 11.499 -1.409 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.065 10.252 -1.124 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.089 12.503 -0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.948 11.627 0.550 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.336 13.824 -0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.610 14.731 0.504 1.00 0.00 H new ATOM 214 N ARG A 13 8.089 8.101 0.689 1.00 0.00 N ATOM 215 CA ARG A 13 8.689 6.834 0.306 1.00 0.00 C ATOM 216 C ARG A 13 7.622 5.756 0.121 1.00 0.00 C ATOM 217 O ARG A 13 6.878 5.438 1.050 1.00 0.00 O ATOM 218 CB ARG A 13 9.702 6.407 1.369 1.00 0.00 C ATOM 219 CG ARG A 13 11.107 6.204 0.827 1.00 0.00 C ATOM 220 CD ARG A 13 11.799 7.533 0.567 1.00 0.00 C ATOM 221 NE ARG A 13 11.662 8.451 1.697 1.00 0.00 N ATOM 222 CZ ARG A 13 12.295 8.296 2.858 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.113 7.268 3.044 1.00 0.00 N ATOM 224 NH2 ARG A 13 12.108 9.172 3.835 1.00 0.00 N ATOM 0 H ARG A 13 7.596 8.081 1.582 1.00 0.00 H new ATOM 0 HA ARG A 13 9.200 6.963 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.731 7.162 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.362 5.480 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.692 5.620 1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.062 5.628 -0.098 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.856 7.359 0.368 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.378 7.993 -0.327 1.00 0.00 H new ATOM 0 HE ARG A 13 11.046 9.257 1.590 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.260 6.591 2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.595 7.155 3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 13 11.480 9.964 3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.592 9.054 4.725 1.00 0.00 H new ATOM 238 N PHE A 14 7.555 5.197 -1.085 1.00 0.00 N ATOM 239 CA PHE A 14 6.582 4.151 -1.399 1.00 0.00 C ATOM 240 C PHE A 14 7.289 2.830 -1.677 1.00 0.00 C ATOM 241 O PHE A 14 8.414 2.818 -2.175 1.00 0.00 O ATOM 242 CB PHE A 14 5.736 4.543 -2.618 1.00 0.00 C ATOM 243 CG PHE A 14 5.485 6.021 -2.747 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.508 6.884 -3.106 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.224 6.544 -2.514 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.276 8.242 -3.227 1.00 0.00 C ATOM 247 CE2 PHE A 14 3.987 7.899 -2.634 1.00 0.00 C ATOM 248 CZ PHE A 14 5.016 8.750 -2.991 1.00 0.00 C ATOM 0 H PHE A 14 8.164 5.451 -1.863 1.00 0.00 H new ATOM 0 HA PHE A 14 5.927 4.034 -0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.235 4.191 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.778 4.027 -2.562 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.497 6.492 -3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.416 5.884 -2.235 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.082 8.905 -3.506 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.999 8.293 -2.449 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.834 9.810 -3.085 1.00 0.00 H new ATOM 258 N PHE A 15 6.632 1.717 -1.356 1.00 0.00 N ATOM 259 CA PHE A 15 7.223 0.399 -1.584 1.00 0.00 C ATOM 260 C PHE A 15 6.158 -0.671 -1.801 1.00 0.00 C ATOM 261 O PHE A 15 4.987 -0.486 -1.465 1.00 0.00 O ATOM 262 CB PHE A 15 8.117 -0.011 -0.409 1.00 0.00 C ATOM 263 CG PHE A 15 8.817 1.137 0.257 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.121 1.999 1.086 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.171 1.351 0.056 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.760 3.053 1.705 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.817 2.405 0.672 1.00 0.00 C ATOM 268 CZ PHE A 15 10.110 3.258 1.497 1.00 0.00 C ATOM 0 H PHE A 15 5.700 1.700 -0.942 1.00 0.00 H new ATOM 0 HA PHE A 15 7.825 0.478 -2.489 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.510 -0.531 0.332 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.864 -0.721 -0.765 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.065 1.845 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.727 0.687 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.206 3.717 2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.873 2.562 0.509 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.612 4.084 1.979 1.00 0.00 H new ATOM 278 N ARG A 16 6.593 -1.797 -2.359 1.00 0.00 N ATOM 279 CA ARG A 16 5.717 -2.930 -2.627 1.00 0.00 C ATOM 280 C ARG A 16 6.506 -4.231 -2.527 1.00 0.00 C ATOM 281 O ARG A 16 7.698 -4.261 -2.830 1.00 0.00 O ATOM 282 CB ARG A 16 5.086 -2.807 -4.016 1.00 0.00 C ATOM 283 CG ARG A 16 4.065 -3.891 -4.322 1.00 0.00 C ATOM 284 CD ARG A 16 4.172 -4.366 -5.761 1.00 0.00 C ATOM 285 NE ARG A 16 5.483 -4.943 -6.051 1.00 0.00 N ATOM 286 CZ ARG A 16 5.729 -5.746 -7.083 1.00 0.00 C ATOM 287 NH1 ARG A 16 4.759 -6.068 -7.930 1.00 0.00 N ATOM 288 NH2 ARG A 16 6.951 -6.229 -7.273 1.00 0.00 N ATOM 0 H ARG A 16 7.562 -1.948 -2.638 1.00 0.00 H new ATOM 0 HA ARG A 16 4.919 -2.935 -1.884 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.605 -1.833 -4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.875 -2.840 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.214 -4.734 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.061 -3.509 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.398 -5.108 -5.956 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.988 -3.529 -6.434 1.00 0.00 H new ATOM 0 HE ARG A 16 6.256 -4.717 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.818 -5.699 -7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.955 -6.684 -8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.702 -5.985 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.139 -6.845 -8.064 1.00 0.00 H new ATOM 302 N ILE A 17 5.848 -5.301 -2.098 1.00 0.00 N ATOM 303 CA ILE A 17 6.517 -6.591 -1.963 1.00 0.00 C ATOM 304 C ILE A 17 5.553 -7.754 -2.194 1.00 0.00 C ATOM 305 O ILE A 17 4.517 -7.853 -1.535 1.00 0.00 O ATOM 306 CB ILE A 17 7.179 -6.751 -0.573 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.513 -5.832 0.460 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.670 -6.461 -0.667 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.216 -5.811 1.801 1.00 0.00 C ATOM 0 H ILE A 17 4.861 -5.303 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 17 7.292 -6.614 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 17 7.043 -7.781 -0.242 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.479 -4.818 0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.481 -6.152 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.126 -6.576 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.133 -7.158 -1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.821 -5.441 -1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.688 -5.140 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.227 -6.816 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.240 -5.461 1.670 1.00 0.00 H new ATOM 321 N PRO A 18 5.885 -8.653 -3.143 1.00 0.00 N ATOM 322 CA PRO A 18 5.058 -9.808 -3.466 1.00 0.00 C ATOM 323 C PRO A 18 5.447 -11.043 -2.657 1.00 0.00 C ATOM 324 O PRO A 18 6.391 -11.753 -3.008 1.00 0.00 O ATOM 325 CB PRO A 18 5.377 -10.021 -4.942 1.00 0.00 C ATOM 326 CG PRO A 18 6.812 -9.624 -5.076 1.00 0.00 C ATOM 327 CD PRO A 18 7.094 -8.613 -3.985 1.00 0.00 C ATOM 0 HA PRO A 18 4.003 -9.649 -3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.223 -11.059 -5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.736 -9.412 -5.579 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.464 -10.492 -4.975 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.003 -9.194 -6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.986 -8.877 -3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.262 -7.618 -4.396 1.00 0.00 H new ATOM 335 N PHE A 19 4.718 -11.298 -1.576 1.00 0.00 N ATOM 336 CA PHE A 19 4.996 -12.450 -0.728 1.00 0.00 C ATOM 337 C PHE A 19 3.858 -13.462 -0.798 1.00 0.00 C ATOM 338 O PHE A 19 2.688 -13.090 -0.890 1.00 0.00 O ATOM 339 CB PHE A 19 5.217 -12.008 0.720 1.00 0.00 C ATOM 340 CG PHE A 19 4.036 -11.303 1.319 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.944 -12.020 1.779 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.017 -9.921 1.424 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.854 -11.374 2.332 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.931 -9.269 1.974 1.00 0.00 C ATOM 345 CZ PHE A 19 1.848 -9.997 2.430 1.00 0.00 C ATOM 0 H PHE A 19 3.933 -10.724 -1.268 1.00 0.00 H new ATOM 0 HA PHE A 19 5.906 -12.927 -1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.453 -12.883 1.326 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.083 -11.348 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.944 -13.097 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.861 -9.347 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.009 -11.945 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.928 -8.192 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.998 -9.489 2.862 1.00 0.00 H new ATOM 355 N ILE A 20 4.209 -14.743 -0.760 1.00 0.00 N ATOM 356 CA ILE A 20 3.216 -15.809 -0.827 1.00 0.00 C ATOM 357 C ILE A 20 2.652 -16.129 0.550 1.00 0.00 C ATOM 358 O ILE A 20 3.316 -15.930 1.568 1.00 0.00 O ATOM 359 CB ILE A 20 3.806 -17.095 -1.435 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.673 -16.751 -2.647 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.695 -18.059 -1.823 1.00 0.00 C ATOM 362 CD1 ILE A 20 5.137 -17.958 -3.434 1.00 0.00 C ATOM 0 H ILE A 20 5.173 -15.068 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 20 2.414 -15.446 -1.470 1.00 0.00 H new ATOM 0 HB ILE A 20 4.432 -17.583 -0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.110 -16.093 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.546 -16.192 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.130 -18.962 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.114 -18.320 -0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.044 -17.587 -2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.746 -17.631 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.729 -18.607 -2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.271 -18.506 -3.804 1.00 0.00 H new ATOM 374 N ARG A 21 1.424 -16.630 0.571 1.00 0.00 N ATOM 375 CA ARG A 21 0.764 -16.983 1.820 1.00 0.00 C ATOM 376 C ARG A 21 1.245 -18.345 2.318 1.00 0.00 C ATOM 377 O ARG A 21 1.451 -19.264 1.526 1.00 0.00 O ATOM 378 CB ARG A 21 -0.752 -16.993 1.634 1.00 0.00 C ATOM 379 CG ARG A 21 -1.453 -15.877 2.387 1.00 0.00 C ATOM 380 CD ARG A 21 -2.936 -15.837 2.069 1.00 0.00 C ATOM 381 NE ARG A 21 -3.740 -16.443 3.129 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.993 -16.863 2.962 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.588 -16.742 1.783 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.652 -17.403 3.979 1.00 0.00 N ATOM 0 H ARG A 21 0.864 -16.801 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 21 1.021 -16.233 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.982 -16.907 0.572 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.147 -17.952 1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.313 -16.017 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.998 -14.921 2.128 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.248 -14.803 1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.120 -16.360 1.131 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.317 -16.551 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.086 -16.326 0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.548 -17.065 1.660 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.199 -17.496 4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.612 -17.725 3.852 1.00 0.00 H new ATOM 398 N PRO A 22 1.441 -18.493 3.640 1.00 0.00 N ATOM 399 CA PRO A 22 1.910 -19.751 4.233 1.00 0.00 C ATOM 400 C PRO A 22 1.029 -20.942 3.869 1.00 0.00 C ATOM 401 O PRO A 22 1.525 -21.997 3.472 1.00 0.00 O ATOM 402 CB PRO A 22 1.847 -19.487 5.739 1.00 0.00 C ATOM 403 CG PRO A 22 1.919 -18.006 5.873 1.00 0.00 C ATOM 404 CD PRO A 22 1.229 -17.449 4.661 1.00 0.00 C ATOM 0 HA PRO A 22 2.904 -20.015 3.871 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.925 -19.878 6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.673 -19.971 6.260 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.430 -17.672 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 22 2.954 -17.668 5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.169 -17.276 4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.659 -16.495 4.356 1.00 0.00 H new ATOM 412 N ALA A 23 -0.278 -20.772 4.012 1.00 0.00 N ATOM 413 CA ALA A 23 -1.223 -21.839 3.710 1.00 0.00 C ATOM 414 C ALA A 23 -1.036 -22.360 2.292 1.00 0.00 C ATOM 415 O ALA A 23 -0.769 -23.543 2.085 1.00 0.00 O ATOM 416 CB ALA A 23 -2.649 -21.353 3.912 1.00 0.00 C ATOM 0 H ALA A 23 -0.708 -19.906 4.335 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.029 -22.663 4.397 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.344 -22.160 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.784 -21.041 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.843 -20.509 3.251 1.00 0.00 H new ATOM 422 N ASP A 24 -1.177 -21.471 1.323 1.00 0.00 N ATOM 423 CA ASP A 24 -1.023 -21.839 -0.081 1.00 0.00 C ATOM 424 C ASP A 24 0.428 -22.200 -0.384 1.00 0.00 C ATOM 425 O ASP A 24 0.709 -23.037 -1.246 1.00 0.00 O ATOM 426 CB ASP A 24 -1.472 -20.687 -0.983 1.00 0.00 C ATOM 427 CG ASP A 24 -2.971 -20.681 -1.210 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.693 -20.077 -0.388 1.00 0.00 O ATOM 429 OD2 ASP A 24 -3.423 -21.278 -2.209 1.00 0.00 O ATOM 0 H ASP A 24 -1.398 -20.488 1.480 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.649 -22.709 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.171 -19.740 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.962 -20.761 -1.944 1.00 0.00 H new ATOM 434 N GLN A 25 1.340 -21.558 0.337 1.00 0.00 N ATOM 435 CA GLN A 25 2.772 -21.781 0.169 1.00 0.00 C ATOM 436 C GLN A 25 3.120 -23.266 0.232 1.00 0.00 C ATOM 437 O GLN A 25 3.823 -23.784 -0.635 1.00 0.00 O ATOM 438 CB GLN A 25 3.541 -20.993 1.240 1.00 0.00 C ATOM 439 CG GLN A 25 4.970 -21.466 1.475 1.00 0.00 C ATOM 440 CD GLN A 25 5.993 -20.374 1.226 1.00 0.00 C ATOM 441 OE1 GLN A 25 7.038 -20.614 0.622 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.696 -19.168 1.695 1.00 0.00 N ATOM 0 H GLN A 25 1.109 -20.870 1.053 1.00 0.00 H new ATOM 0 HA GLN A 25 3.065 -21.426 -0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.563 -19.942 0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.993 -21.054 2.180 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.067 -21.823 2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.181 -22.313 0.822 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.817 -19.015 2.190 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.347 -18.394 1.560 1.00 0.00 H new ATOM 451 N TYR A 26 2.641 -23.943 1.267 1.00 0.00 N ATOM 452 CA TYR A 26 2.925 -25.366 1.436 1.00 0.00 C ATOM 453 C TYR A 26 1.743 -26.242 1.026 1.00 0.00 C ATOM 454 O TYR A 26 1.853 -27.468 1.012 1.00 0.00 O ATOM 455 CB TYR A 26 3.321 -25.672 2.884 1.00 0.00 C ATOM 456 CG TYR A 26 2.571 -24.864 3.914 1.00 0.00 C ATOM 457 CD1 TYR A 26 1.212 -25.056 4.118 1.00 0.00 C ATOM 458 CD2 TYR A 26 3.224 -23.913 4.686 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.525 -24.321 5.062 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.545 -23.174 5.633 1.00 0.00 C ATOM 461 CZ TYR A 26 1.193 -23.381 5.817 1.00 0.00 C ATOM 462 OH TYR A 26 0.511 -22.647 6.760 1.00 0.00 O ATOM 0 H TYR A 26 2.058 -23.536 1.998 1.00 0.00 H new ATOM 0 HA TYR A 26 3.760 -25.602 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.155 -26.732 3.078 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.389 -25.490 3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.684 -25.792 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.282 -23.749 4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.533 -24.482 5.209 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.068 -22.439 6.226 1.00 0.00 H new ATOM 0 HH TYR A 26 1.129 -22.030 7.204 1.00 0.00 H new ATOM 472 N LYS A 27 0.616 -25.621 0.689 1.00 0.00 N ATOM 473 CA LYS A 27 -0.562 -26.378 0.281 1.00 0.00 C ATOM 474 C LYS A 27 -0.388 -26.934 -1.126 1.00 0.00 C ATOM 475 O LYS A 27 -0.788 -28.063 -1.409 1.00 0.00 O ATOM 476 CB LYS A 27 -1.816 -25.505 0.349 1.00 0.00 C ATOM 477 CG LYS A 27 -2.614 -25.690 1.630 1.00 0.00 C ATOM 478 CD LYS A 27 -3.488 -24.484 1.922 1.00 0.00 C ATOM 479 CE LYS A 27 -4.803 -24.552 1.164 1.00 0.00 C ATOM 480 NZ LYS A 27 -5.876 -25.198 1.969 1.00 0.00 N ATOM 0 H LYS A 27 0.494 -24.608 0.690 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.680 -27.213 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.526 -24.458 0.259 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.455 -25.733 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.237 -26.580 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.932 -25.856 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.686 -24.428 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.956 -23.573 1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.114 -23.545 0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.660 -25.108 0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.756 -25.225 1.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.591 -26.168 2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.031 -24.653 2.841 1.00 0.00 H new ATOM 494 N ASP A 28 0.215 -26.140 -2.006 1.00 0.00 N ATOM 495 CA ASP A 28 0.437 -26.572 -3.383 1.00 0.00 C ATOM 496 C ASP A 28 1.264 -25.550 -4.162 1.00 0.00 C ATOM 497 O ASP A 28 1.078 -24.344 -4.009 1.00 0.00 O ATOM 498 CB ASP A 28 -0.901 -26.802 -4.087 1.00 0.00 C ATOM 499 CG ASP A 28 -0.870 -28.002 -5.012 1.00 0.00 C ATOM 500 OD1 ASP A 28 -0.348 -29.058 -4.597 1.00 0.00 O ATOM 501 OD2 ASP A 28 -1.367 -27.885 -6.152 1.00 0.00 O ATOM 0 H ASP A 28 0.556 -25.202 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 28 0.995 -27.508 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.682 -26.943 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.165 -25.913 -4.659 1.00 0.00 H new ATOM 506 N PRO A 29 2.188 -26.025 -5.018 1.00 0.00 N ATOM 507 CA PRO A 29 3.039 -25.150 -5.829 1.00 0.00 C ATOM 508 C PRO A 29 2.266 -24.477 -6.960 1.00 0.00 C ATOM 509 O PRO A 29 2.670 -23.433 -7.468 1.00 0.00 O ATOM 510 CB PRO A 29 4.091 -26.101 -6.394 1.00 0.00 C ATOM 511 CG PRO A 29 3.410 -27.419 -6.445 1.00 0.00 C ATOM 512 CD PRO A 29 2.473 -27.451 -5.269 1.00 0.00 C ATOM 0 HA PRO A 29 3.457 -24.331 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.420 -25.786 -7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.977 -26.136 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.865 -27.540 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.133 -28.233 -6.390 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.564 -28.008 -5.495 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.932 -27.927 -4.403 1.00 0.00 H new ATOM 520 N GLN A 30 1.144 -25.083 -7.339 1.00 0.00 N ATOM 521 CA GLN A 30 0.302 -24.544 -8.401 1.00 0.00 C ATOM 522 C GLN A 30 -0.646 -23.497 -7.838 1.00 0.00 C ATOM 523 O GLN A 30 -0.923 -22.481 -8.475 1.00 0.00 O ATOM 524 CB GLN A 30 -0.492 -25.665 -9.074 1.00 0.00 C ATOM 525 CG GLN A 30 0.333 -26.501 -10.039 1.00 0.00 C ATOM 526 CD GLN A 30 0.163 -27.991 -9.814 1.00 0.00 C ATOM 527 OE1 GLN A 30 -0.734 -28.423 -9.090 1.00 0.00 O ATOM 528 NE2 GLN A 30 1.025 -28.787 -10.437 1.00 0.00 N ATOM 0 H GLN A 30 0.797 -25.949 -6.925 1.00 0.00 H new ATOM 0 HA GLN A 30 0.943 -24.075 -9.148 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.907 -26.317 -8.305 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.334 -25.230 -9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.046 -26.257 -11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.386 -26.239 -9.932 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.754 -28.387 -11.028 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.958 -29.799 -10.324 1.00 0.00 H new ATOM 537 N ASN A 31 -1.126 -23.746 -6.624 1.00 0.00 N ATOM 538 CA ASN A 31 -2.029 -22.824 -5.950 1.00 0.00 C ATOM 539 C ASN A 31 -1.234 -21.893 -5.042 1.00 0.00 C ATOM 540 O ASN A 31 -1.639 -21.607 -3.914 1.00 0.00 O ATOM 541 CB ASN A 31 -3.071 -23.595 -5.135 1.00 0.00 C ATOM 542 CG ASN A 31 -4.123 -24.245 -6.011 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.280 -23.827 -6.028 1.00 0.00 O ATOM 544 ND2 ASN A 31 -3.724 -25.279 -6.745 1.00 0.00 N ATOM 0 H ASN A 31 -0.902 -24.583 -6.086 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.550 -22.230 -6.701 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.571 -24.361 -4.543 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.555 -22.916 -4.434 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.387 -25.759 -7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.754 -25.592 -6.700 1.00 0.00 H new ATOM 551 N LYS A 32 -0.096 -21.431 -5.546 1.00 0.00 N ATOM 552 CA LYS A 32 0.778 -20.538 -4.803 1.00 0.00 C ATOM 553 C LYS A 32 0.237 -19.115 -4.824 1.00 0.00 C ATOM 554 O LYS A 32 0.882 -18.195 -5.326 1.00 0.00 O ATOM 555 CB LYS A 32 2.188 -20.577 -5.394 1.00 0.00 C ATOM 556 CG LYS A 32 3.016 -21.758 -4.913 1.00 0.00 C ATOM 557 CD LYS A 32 3.081 -21.812 -3.397 1.00 0.00 C ATOM 558 CE LYS A 32 4.441 -22.295 -2.918 1.00 0.00 C ATOM 559 NZ LYS A 32 4.605 -23.764 -3.101 1.00 0.00 N ATOM 0 H LYS A 32 0.244 -21.665 -6.479 1.00 0.00 H new ATOM 0 HA LYS A 32 0.817 -20.873 -3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.117 -20.613 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.706 -19.653 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.585 -22.684 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.025 -21.686 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.879 -20.822 -2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.304 -22.477 -3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.225 -21.771 -3.465 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.565 -22.044 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.891 -24.196 -2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.703 -24.178 -3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.336 -23.945 -3.819 1.00 0.00 H new ATOM 573 N LYS A 33 -0.960 -18.952 -4.275 1.00 0.00 N ATOM 574 CA LYS A 33 -1.617 -17.647 -4.221 1.00 0.00 C ATOM 575 C LYS A 33 -0.654 -16.559 -3.750 1.00 0.00 C ATOM 576 O LYS A 33 -0.464 -16.361 -2.551 1.00 0.00 O ATOM 577 CB LYS A 33 -2.830 -17.706 -3.292 1.00 0.00 C ATOM 578 CG LYS A 33 -3.880 -18.717 -3.727 1.00 0.00 C ATOM 579 CD LYS A 33 -4.534 -18.312 -5.039 1.00 0.00 C ATOM 580 CE LYS A 33 -5.379 -19.439 -5.612 1.00 0.00 C ATOM 581 NZ LYS A 33 -6.699 -18.948 -6.100 1.00 0.00 N ATOM 0 H LYS A 33 -1.500 -19.710 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.946 -17.396 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.494 -17.953 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.287 -16.718 -3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.418 -19.698 -3.837 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.642 -18.808 -2.953 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.158 -17.433 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.765 -18.031 -5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.842 -19.915 -6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.534 -20.201 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.246 -19.745 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.222 -18.517 -5.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.551 -18.239 -6.846 1.00 0.00 H new ATOM 595 N LYS A 34 -0.052 -15.859 -4.706 1.00 0.00 N ATOM 596 CA LYS A 34 0.890 -14.791 -4.395 1.00 0.00 C ATOM 597 C LYS A 34 0.154 -13.484 -4.117 1.00 0.00 C ATOM 598 O LYS A 34 -0.730 -13.086 -4.874 1.00 0.00 O ATOM 599 CB LYS A 34 1.872 -14.602 -5.552 1.00 0.00 C ATOM 600 CG LYS A 34 2.897 -15.718 -5.666 1.00 0.00 C ATOM 601 CD LYS A 34 4.297 -15.176 -5.918 1.00 0.00 C ATOM 602 CE LYS A 34 4.717 -14.171 -4.856 1.00 0.00 C ATOM 603 NZ LYS A 34 6.144 -14.336 -4.465 1.00 0.00 N ATOM 0 H LYS A 34 -0.200 -16.013 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 34 1.443 -15.073 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.313 -14.536 -6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.393 -13.653 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.895 -16.308 -4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.615 -16.389 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.008 -16.002 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.332 -14.703 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.558 -13.160 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.084 -14.288 -3.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.380 -13.655 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.298 -15.303 -4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.752 -14.166 -5.291 1.00 0.00 H new ATOM 617 N GLY A 35 0.520 -12.822 -3.023 1.00 0.00 N ATOM 618 CA GLY A 35 -0.122 -11.570 -2.666 1.00 0.00 C ATOM 619 C GLY A 35 0.831 -10.391 -2.693 1.00 0.00 C ATOM 620 O GLY A 35 1.995 -10.513 -2.310 1.00 0.00 O ATOM 0 H GLY A 35 1.248 -13.130 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.946 -11.381 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.553 -11.660 -1.669 1.00 0.00 H new ATOM 624 N TRP A 36 0.330 -9.245 -3.142 1.00 0.00 N ATOM 625 CA TRP A 36 1.137 -8.031 -3.218 1.00 0.00 C ATOM 626 C TRP A 36 0.749 -7.055 -2.113 1.00 0.00 C ATOM 627 O TRP A 36 -0.433 -6.872 -1.821 1.00 0.00 O ATOM 628 CB TRP A 36 0.966 -7.362 -4.583 1.00 0.00 C ATOM 629 CG TRP A 36 1.363 -8.241 -5.729 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.615 -8.392 -6.246 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.502 -9.087 -6.498 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.588 -9.284 -7.292 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.303 -9.724 -7.466 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.866 -9.370 -6.464 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.779 -10.626 -8.388 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.385 -10.264 -7.381 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.563 -10.884 -8.331 1.00 0.00 C ATOM 0 H TRP A 36 -0.633 -9.131 -3.459 1.00 0.00 H new ATOM 0 HA TRP A 36 2.182 -8.311 -3.087 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.076 -7.065 -4.706 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.563 -6.450 -4.610 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.499 -7.885 -5.887 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.394 -9.571 -7.848 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.507 -8.898 -5.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.410 -11.105 -9.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.441 -10.488 -7.365 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.998 -11.580 -9.033 1.00 0.00 H new ATOM 648 N TRP A 37 1.749 -6.430 -1.501 1.00 0.00 N ATOM 649 CA TRP A 37 1.508 -5.474 -0.427 1.00 0.00 C ATOM 650 C TRP A 37 2.142 -4.124 -0.751 1.00 0.00 C ATOM 651 O TRP A 37 3.360 -4.014 -0.870 1.00 0.00 O ATOM 652 CB TRP A 37 2.074 -6.022 0.885 1.00 0.00 C ATOM 653 CG TRP A 37 1.725 -5.203 2.092 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.507 -5.115 2.703 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.611 -4.364 2.841 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.583 -4.273 3.788 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.865 -3.800 3.893 1.00 0.00 C ATOM 658 CE3 TRP A 37 3.964 -4.037 2.723 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.429 -2.927 4.823 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.522 -3.169 3.644 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.756 -2.625 4.681 1.00 0.00 C ATOM 0 H TRP A 37 2.733 -6.568 -1.730 1.00 0.00 H new ATOM 0 HA TRP A 37 0.433 -5.328 -0.323 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.707 -7.038 1.030 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.159 -6.084 0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.386 -5.631 2.381 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.189 -4.039 4.412 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.563 -4.454 1.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.841 -2.505 5.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.566 -2.907 3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.223 -1.952 5.385 1.00 0.00 H new ATOM 672 N TYR A 38 1.305 -3.097 -0.885 1.00 0.00 N ATOM 673 CA TYR A 38 1.782 -1.751 -1.188 1.00 0.00 C ATOM 674 C TYR A 38 1.608 -0.841 0.021 1.00 0.00 C ATOM 675 O TYR A 38 0.748 -1.081 0.868 1.00 0.00 O ATOM 676 CB TYR A 38 1.027 -1.164 -2.383 1.00 0.00 C ATOM 677 CG TYR A 38 1.100 -2.010 -3.634 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.539 -3.280 -3.670 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.723 -1.534 -4.782 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.598 -4.054 -4.813 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.785 -2.302 -5.929 1.00 0.00 C ATOM 682 CZ TYR A 38 1.223 -3.561 -5.941 1.00 0.00 C ATOM 683 OH TYR A 38 1.283 -4.328 -7.080 1.00 0.00 O ATOM 0 H TYR A 38 0.292 -3.172 -0.788 1.00 0.00 H new ATOM 0 HA TYR A 38 2.841 -1.818 -1.438 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.019 -1.030 -2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.428 -0.174 -2.602 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.049 -3.669 -2.790 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.165 -0.549 -4.777 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.157 -5.040 -4.824 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.272 -1.917 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 38 1.755 -3.834 -7.782 1.00 0.00 H new ATOM 693 N ALA A 39 2.426 0.203 0.103 1.00 0.00 N ATOM 694 CA ALA A 39 2.344 1.135 1.221 1.00 0.00 C ATOM 695 C ALA A 39 3.200 2.374 0.996 1.00 0.00 C ATOM 696 O ALA A 39 4.403 2.281 0.748 1.00 0.00 O ATOM 697 CB ALA A 39 2.750 0.437 2.509 1.00 0.00 C ATOM 0 H ALA A 39 3.147 0.424 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 39 1.309 1.468 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.686 1.140 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.082 -0.404 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.774 0.074 2.419 1.00 0.00 H new ATOM 703 N HIS A 40 2.563 3.535 1.102 1.00 0.00 N ATOM 704 CA HIS A 40 3.245 4.807 0.936 1.00 0.00 C ATOM 705 C HIS A 40 3.624 5.370 2.300 1.00 0.00 C ATOM 706 O HIS A 40 2.800 5.993 2.975 1.00 0.00 O ATOM 707 CB HIS A 40 2.349 5.797 0.186 1.00 0.00 C ATOM 708 CG HIS A 40 2.915 7.182 0.109 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.164 8.286 -0.240 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.166 7.642 0.349 1.00 0.00 C ATOM 711 CE1 HIS A 40 2.929 9.363 -0.212 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.148 8.999 0.142 1.00 0.00 N ATOM 0 H HIS A 40 1.567 3.618 1.304 1.00 0.00 H new ATOM 0 HA HIS A 40 4.151 4.649 0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.180 5.426 -0.825 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.377 5.838 0.677 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.173 8.273 -0.482 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.019 7.051 0.648 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.611 10.370 -0.440 1.00 0.00 H new ATOM 721 N PHE A 41 4.868 5.131 2.709 1.00 0.00 N ATOM 722 CA PHE A 41 5.346 5.601 4.003 1.00 0.00 C ATOM 723 C PHE A 41 5.823 7.049 3.933 1.00 0.00 C ATOM 724 O PHE A 41 6.732 7.376 3.171 1.00 0.00 O ATOM 725 CB PHE A 41 6.487 4.721 4.518 1.00 0.00 C ATOM 726 CG PHE A 41 6.069 3.337 4.924 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.638 2.423 3.979 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.113 2.953 6.255 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.259 1.149 4.354 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.734 1.682 6.635 1.00 0.00 C ATOM 731 CZ PHE A 41 5.306 0.778 5.683 1.00 0.00 C ATOM 0 H PHE A 41 5.560 4.616 2.164 1.00 0.00 H new ATOM 0 HA PHE A 41 4.504 5.542 4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.249 4.644 3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.951 5.213 5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.598 2.709 2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.448 3.657 7.003 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.926 0.443 3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.772 1.395 7.675 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.009 -0.218 5.978 1.00 0.00 H new ATOM 741 N ASP A 42 5.226 7.903 4.758 1.00 0.00 N ATOM 742 CA ASP A 42 5.613 9.305 4.817 1.00 0.00 C ATOM 743 C ASP A 42 6.680 9.481 5.887 1.00 0.00 C ATOM 744 O ASP A 42 6.409 9.316 7.079 1.00 0.00 O ATOM 745 CB ASP A 42 4.400 10.185 5.124 1.00 0.00 C ATOM 746 CG ASP A 42 4.407 11.475 4.327 1.00 0.00 C ATOM 747 OD1 ASP A 42 5.088 12.432 4.752 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.730 11.529 3.279 1.00 0.00 O ATOM 0 H ASP A 42 4.472 7.647 5.395 1.00 0.00 H new ATOM 0 HA ASP A 42 6.013 9.610 3.850 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.487 9.631 4.905 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.384 10.419 6.189 1.00 0.00 H new ATOM 753 N GLY A 43 7.900 9.781 5.464 1.00 0.00 N ATOM 754 CA GLY A 43 8.981 9.928 6.416 1.00 0.00 C ATOM 755 C GLY A 43 9.198 8.643 7.192 1.00 0.00 C ATOM 756 O GLY A 43 9.191 7.560 6.605 1.00 0.00 O ATOM 0 H GLY A 43 8.159 9.924 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.897 10.200 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.755 10.741 7.106 1.00 0.00 H new ATOM 760 N PRO A 44 9.379 8.716 8.517 1.00 0.00 N ATOM 761 CA PRO A 44 9.583 7.529 9.348 1.00 0.00 C ATOM 762 C PRO A 44 8.302 6.714 9.520 1.00 0.00 C ATOM 763 O PRO A 44 8.342 5.557 9.937 1.00 0.00 O ATOM 764 CB PRO A 44 10.031 8.101 10.705 1.00 0.00 C ATOM 765 CG PRO A 44 10.271 9.560 10.475 1.00 0.00 C ATOM 766 CD PRO A 44 9.402 9.946 9.316 1.00 0.00 C ATOM 0 HA PRO A 44 10.305 6.846 8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.266 7.946 11.466 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.936 7.607 11.058 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.019 10.141 11.362 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.321 9.753 10.256 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.403 10.240 9.638 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.818 10.785 8.758 1.00 0.00 H new ATOM 774 N TRP A 45 7.163 7.333 9.217 1.00 0.00 N ATOM 775 CA TRP A 45 5.867 6.679 9.363 1.00 0.00 C ATOM 776 C TRP A 45 5.179 6.489 8.015 1.00 0.00 C ATOM 777 O TRP A 45 5.786 6.691 6.963 1.00 0.00 O ATOM 778 CB TRP A 45 4.994 7.514 10.293 1.00 0.00 C ATOM 779 CG TRP A 45 5.804 8.289 11.285 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.496 9.441 11.060 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.034 7.942 12.649 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.134 9.839 12.209 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.860 8.935 13.202 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.611 6.890 13.451 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.273 8.901 14.532 1.00 0.00 C ATOM 786 CZ3 TRP A 45 6.018 6.852 14.772 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.843 7.854 15.301 1.00 0.00 C ATOM 0 H TRP A 45 7.113 8.290 8.868 1.00 0.00 H new ATOM 0 HA TRP A 45 6.021 5.687 9.788 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.391 8.203 9.701 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.302 6.860 10.823 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.537 9.964 10.116 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.716 10.671 12.307 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.975 6.115 13.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.909 9.672 14.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.696 6.039 15.405 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.145 7.799 16.336 1.00 0.00 H new ATOM 798 N ILE A 46 3.911 6.086 8.051 1.00 0.00 N ATOM 799 CA ILE A 46 3.149 5.857 6.828 1.00 0.00 C ATOM 800 C ILE A 46 1.770 6.501 6.886 1.00 0.00 C ATOM 801 O ILE A 46 1.206 6.703 7.961 1.00 0.00 O ATOM 802 CB ILE A 46 3.010 4.347 6.532 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.934 4.084 5.476 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.700 3.583 7.809 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.898 2.649 5.001 1.00 0.00 C ATOM 0 H ILE A 46 3.392 5.912 8.911 1.00 0.00 H new ATOM 0 HA ILE A 46 3.708 6.327 6.019 1.00 0.00 H new ATOM 0 HB ILE A 46 3.962 3.994 6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.960 4.348 5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.107 4.738 4.621 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.605 2.521 7.584 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.507 3.731 8.527 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.765 3.949 8.234 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.113 2.533 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.860 2.387 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.695 1.991 5.846 1.00 0.00 H new ATOM 817 N ALA A 47 1.239 6.825 5.709 1.00 0.00 N ATOM 818 CA ALA A 47 -0.069 7.454 5.605 1.00 0.00 C ATOM 819 C ALA A 47 -0.972 6.734 4.601 1.00 0.00 C ATOM 820 O ALA A 47 -2.195 6.856 4.669 1.00 0.00 O ATOM 821 CB ALA A 47 0.083 8.918 5.220 1.00 0.00 C ATOM 0 H ALA A 47 1.699 6.660 4.813 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.546 7.385 6.583 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.902 9.379 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.669 9.435 5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.592 8.990 4.259 1.00 0.00 H new ATOM 827 N ARG A 48 -0.378 5.990 3.665 1.00 0.00 N ATOM 828 CA ARG A 48 -1.164 5.275 2.664 1.00 0.00 C ATOM 829 C ARG A 48 -0.737 3.815 2.569 1.00 0.00 C ATOM 830 O ARG A 48 0.446 3.498 2.671 1.00 0.00 O ATOM 831 CB ARG A 48 -1.025 5.955 1.298 1.00 0.00 C ATOM 832 CG ARG A 48 -2.295 6.653 0.838 1.00 0.00 C ATOM 833 CD ARG A 48 -2.301 6.869 -0.666 1.00 0.00 C ATOM 834 NE ARG A 48 -3.142 8.000 -1.049 1.00 0.00 N ATOM 835 CZ ARG A 48 -2.994 8.693 -2.174 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.061 8.359 -3.055 1.00 0.00 N ATOM 837 NH2 ARG A 48 -3.789 9.725 -2.422 1.00 0.00 N ATOM 0 H ARG A 48 0.631 5.869 3.581 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.209 5.303 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.215 6.683 1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.741 5.209 0.556 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.162 6.058 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.387 7.614 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.282 7.040 -1.012 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -2.659 5.966 -1.161 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.890 8.276 -0.413 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.449 7.564 -2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.956 8.897 -3.915 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.511 9.985 -1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.678 10.259 -3.284 1.00 0.00 H new ATOM 851 N GLN A 49 -1.709 2.929 2.372 1.00 0.00 N ATOM 852 CA GLN A 49 -1.424 1.503 2.263 1.00 0.00 C ATOM 853 C GLN A 49 -2.515 0.782 1.482 1.00 0.00 C ATOM 854 O GLN A 49 -3.703 0.932 1.767 1.00 0.00 O ATOM 855 CB GLN A 49 -1.273 0.882 3.653 1.00 0.00 C ATOM 856 CG GLN A 49 -0.909 -0.594 3.623 1.00 0.00 C ATOM 857 CD GLN A 49 -2.043 -1.485 4.092 1.00 0.00 C ATOM 858 OE1 GLN A 49 -2.886 -1.907 3.301 1.00 0.00 O ATOM 859 NE2 GLN A 49 -2.070 -1.775 5.388 1.00 0.00 N ATOM 0 H GLN A 49 -2.696 3.172 2.285 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.486 1.389 1.720 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.505 1.426 4.204 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.207 1.006 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.628 -0.874 2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.036 -0.762 4.253 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.351 -1.404 6.009 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.810 -2.369 5.762 1.00 0.00 H new ATOM 868 N MET A 50 -2.099 -0.005 0.494 1.00 0.00 N ATOM 869 CA MET A 50 -3.034 -0.757 -0.334 1.00 0.00 C ATOM 870 C MET A 50 -2.682 -2.240 -0.333 1.00 0.00 C ATOM 871 O MET A 50 -1.584 -2.629 -0.726 1.00 0.00 O ATOM 872 CB MET A 50 -3.023 -0.218 -1.765 1.00 0.00 C ATOM 873 CG MET A 50 -4.206 -0.683 -2.600 1.00 0.00 C ATOM 874 SD MET A 50 -3.706 -1.465 -4.147 1.00 0.00 S ATOM 875 CE MET A 50 -2.635 -0.205 -4.833 1.00 0.00 C ATOM 0 H MET A 50 -1.118 -0.138 0.248 1.00 0.00 H new ATOM 0 HA MET A 50 -4.034 -0.638 0.083 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.017 0.872 -1.734 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.100 -0.528 -2.254 1.00 0.00 H new ATOM 0 HG2 MET A 50 -4.801 -1.387 -2.018 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.847 0.171 -2.820 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.176 -0.577 -5.749 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.220 0.687 -5.056 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.856 0.042 -4.112 1.00 0.00 H new ATOM 885 N GLU A 51 -3.623 -3.066 0.116 1.00 0.00 N ATOM 886 CA GLU A 51 -3.410 -4.508 0.172 1.00 0.00 C ATOM 887 C GLU A 51 -4.037 -5.203 -1.035 1.00 0.00 C ATOM 888 O GLU A 51 -5.187 -4.941 -1.385 1.00 0.00 O ATOM 889 CB GLU A 51 -3.996 -5.078 1.466 1.00 0.00 C ATOM 890 CG GLU A 51 -3.026 -5.953 2.247 1.00 0.00 C ATOM 891 CD GLU A 51 -2.584 -5.323 3.556 1.00 0.00 C ATOM 892 OE1 GLU A 51 -3.160 -4.286 3.945 1.00 0.00 O ATOM 893 OE2 GLU A 51 -1.663 -5.874 4.195 1.00 0.00 O ATOM 0 H GLU A 51 -4.539 -2.761 0.446 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.336 -4.692 0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.319 -4.253 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.884 -5.662 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.497 -6.914 2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.149 -6.153 1.632 1.00 0.00 H new ATOM 900 N LEU A 52 -3.274 -6.094 -1.661 1.00 0.00 N ATOM 901 CA LEU A 52 -3.755 -6.832 -2.824 1.00 0.00 C ATOM 902 C LEU A 52 -3.399 -8.309 -2.714 1.00 0.00 C ATOM 903 O LEU A 52 -2.260 -8.703 -2.960 1.00 0.00 O ATOM 904 CB LEU A 52 -3.160 -6.250 -4.109 1.00 0.00 C ATOM 905 CG LEU A 52 -3.476 -4.774 -4.360 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.428 -4.150 -5.271 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.867 -4.623 -4.959 1.00 0.00 C ATOM 0 H LEU A 52 -2.320 -6.322 -1.382 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.840 -6.737 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.077 -6.374 -4.078 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.523 -6.832 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.454 -4.249 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.670 -3.100 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.447 -4.226 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.416 -4.676 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.076 -3.567 -5.131 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.916 -5.162 -5.905 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.606 -5.032 -4.270 1.00 0.00 H new ATOM 919 N HIS A 53 -4.380 -9.127 -2.343 1.00 0.00 N ATOM 920 CA HIS A 53 -4.162 -10.563 -2.203 1.00 0.00 C ATOM 921 C HIS A 53 -5.179 -11.353 -3.028 1.00 0.00 C ATOM 922 O HIS A 53 -6.361 -11.015 -3.058 1.00 0.00 O ATOM 923 CB HIS A 53 -4.261 -10.972 -0.732 1.00 0.00 C ATOM 924 CG HIS A 53 -3.090 -10.539 0.093 1.00 0.00 C ATOM 925 ND1 HIS A 53 -1.863 -10.092 -0.273 1.00 0.00 N flip ATOM 926 CD2 HIS A 53 -3.098 -10.538 1.472 1.00 0.00 C flip ATOM 927 CE1 HIS A 53 -1.164 -9.832 0.881 1.00 0.00 C flip ATOM 928 NE2 HIS A 53 -1.932 -10.108 1.919 1.00 0.00 N flip ATOM 0 H HIS A 53 -5.330 -8.821 -2.135 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.163 -10.791 -2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.171 -10.548 -0.307 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.356 -12.056 -0.671 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.929 -10.842 2.091 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.151 -9.462 0.931 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -1.669 -10.006 2.899 1.00 0.00 H new ATOM 937 N PRO A 54 -4.733 -12.422 -3.711 1.00 0.00 N ATOM 938 CA PRO A 54 -5.616 -13.254 -4.533 1.00 0.00 C ATOM 939 C PRO A 54 -6.844 -13.732 -3.764 1.00 0.00 C ATOM 940 O PRO A 54 -7.873 -14.056 -4.358 1.00 0.00 O ATOM 941 CB PRO A 54 -4.733 -14.443 -4.918 1.00 0.00 C ATOM 942 CG PRO A 54 -3.341 -13.920 -4.843 1.00 0.00 C ATOM 943 CD PRO A 54 -3.338 -12.905 -3.735 1.00 0.00 C ATOM 0 HA PRO A 54 -6.010 -12.705 -5.388 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.878 -15.281 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.968 -14.802 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.633 -14.723 -4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.043 -13.466 -5.788 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.050 -13.350 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.636 -12.095 -3.933 1.00 0.00 H new ATOM 951 N ASP A 55 -6.729 -13.777 -2.439 1.00 0.00 N ATOM 952 CA ASP A 55 -7.830 -14.219 -1.591 1.00 0.00 C ATOM 953 C ASP A 55 -8.593 -13.031 -1.012 1.00 0.00 C ATOM 954 O ASP A 55 -9.782 -13.135 -0.710 1.00 0.00 O ATOM 955 CB ASP A 55 -7.304 -15.102 -0.458 1.00 0.00 C ATOM 956 CG ASP A 55 -6.783 -16.435 -0.960 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.588 -17.222 -1.501 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.571 -16.694 -0.811 1.00 0.00 O ATOM 0 H ASP A 55 -5.885 -13.513 -1.931 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.517 -14.798 -2.209 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.506 -14.577 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.102 -15.275 0.265 1.00 0.00 H new ATOM 963 N LYS A 56 -7.905 -11.904 -0.855 1.00 0.00 N ATOM 964 CA LYS A 56 -8.524 -10.703 -0.310 1.00 0.00 C ATOM 965 C LYS A 56 -8.490 -9.559 -1.324 1.00 0.00 C ATOM 966 O LYS A 56 -7.425 -9.201 -1.828 1.00 0.00 O ATOM 967 CB LYS A 56 -7.816 -10.278 0.978 1.00 0.00 C ATOM 968 CG LYS A 56 -8.073 -11.215 2.150 1.00 0.00 C ATOM 969 CD LYS A 56 -6.779 -11.623 2.834 1.00 0.00 C ATOM 970 CE LYS A 56 -7.005 -11.956 4.300 1.00 0.00 C ATOM 971 NZ LYS A 56 -7.198 -10.730 5.124 1.00 0.00 N ATOM 0 H LYS A 56 -6.920 -11.799 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.566 -10.934 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.743 -10.226 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.142 -9.274 1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.728 -10.726 2.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.595 -12.105 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.354 -12.488 2.325 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.052 -10.815 2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.880 -12.599 4.396 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.152 -12.519 4.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.180 -10.983 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.435 -10.053 4.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.115 -10.297 4.893 1.00 0.00 H new ATOM 985 N PRO A 57 -9.657 -8.963 -1.637 1.00 0.00 N ATOM 986 CA PRO A 57 -9.745 -7.857 -2.595 1.00 0.00 C ATOM 987 C PRO A 57 -8.832 -6.693 -2.220 1.00 0.00 C ATOM 988 O PRO A 57 -8.165 -6.727 -1.187 1.00 0.00 O ATOM 989 CB PRO A 57 -11.219 -7.427 -2.534 1.00 0.00 C ATOM 990 CG PRO A 57 -11.764 -8.053 -1.295 1.00 0.00 C ATOM 991 CD PRO A 57 -10.976 -9.311 -1.085 1.00 0.00 C ATOM 0 HA PRO A 57 -9.426 -8.163 -3.591 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.310 -6.341 -2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.763 -7.764 -3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.662 -7.382 -0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.826 -8.272 -1.403 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.915 -9.579 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.421 -10.159 -1.605 1.00 0.00 H new ATOM 999 N PRO A 58 -8.785 -5.647 -3.061 1.00 0.00 N ATOM 1000 CA PRO A 58 -7.943 -4.471 -2.815 1.00 0.00 C ATOM 1001 C PRO A 58 -8.290 -3.768 -1.506 1.00 0.00 C ATOM 1002 O PRO A 58 -9.058 -2.804 -1.492 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.238 -3.553 -4.007 1.00 0.00 C ATOM 1004 CG PRO A 58 -8.807 -4.448 -5.055 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.543 -5.528 -4.317 1.00 0.00 C ATOM 0 HA PRO A 58 -6.892 -4.744 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.943 -2.767 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.332 -3.060 -4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.478 -3.899 -5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.019 -4.869 -5.680 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.583 -5.257 -4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.550 -6.465 -4.874 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.715 -4.248 -0.408 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.962 -3.656 0.901 1.00 0.00 C ATOM 1015 C ILE A 59 -7.395 -2.243 0.967 1.00 0.00 C ATOM 1016 O ILE A 59 -6.201 -2.049 1.194 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.346 -4.504 2.031 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.879 -5.935 1.965 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.633 -3.889 3.394 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.135 -6.892 2.864 1.00 0.00 C ATOM 0 H ILE A 59 -7.076 -5.043 -0.399 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.043 -3.623 1.040 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.265 -4.525 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.934 -5.935 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.817 -6.291 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.187 -4.507 4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.207 -2.887 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.711 -3.832 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.564 -7.889 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.084 -6.920 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.218 -6.559 3.898 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.263 -1.263 0.762 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.860 0.137 0.792 1.00 0.00 C ATOM 1034 C LEU A 60 -7.578 0.592 2.219 1.00 0.00 C ATOM 1035 O LEU A 60 -8.495 0.757 3.023 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.951 1.013 0.162 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.691 1.467 -1.281 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.870 0.437 -2.047 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -10.008 1.729 -1.997 1.00 0.00 C ATOM 0 H LEU A 60 -9.254 -1.411 0.572 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.942 0.242 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.892 0.463 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.084 1.899 0.783 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.117 2.393 -1.243 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.703 0.789 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.910 0.295 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.408 -0.510 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.809 2.050 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.602 0.815 -2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.558 2.510 -1.472 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.300 0.790 2.527 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.892 1.223 3.857 1.00 0.00 C ATOM 1053 C LEU A 61 -5.375 2.658 3.829 1.00 0.00 C ATOM 1054 O LEU A 61 -4.785 3.097 2.842 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.814 0.287 4.410 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.280 -0.641 5.530 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.811 0.168 6.705 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -6.339 -1.604 5.018 1.00 0.00 C ATOM 0 H LEU A 61 -5.529 0.657 1.872 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.765 1.186 4.509 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.427 -0.321 3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.985 0.890 4.779 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.426 -1.224 5.874 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.139 -0.509 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.022 0.816 7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.653 0.777 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.659 -2.258 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.195 -1.040 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.923 -2.206 4.210 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.599 3.383 4.920 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.156 4.767 5.021 1.00 0.00 C ATOM 1072 C VAL A 62 -4.999 5.184 6.480 1.00 0.00 C ATOM 1073 O VAL A 62 -5.809 4.817 7.332 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.142 5.725 4.322 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.510 5.667 4.983 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.599 7.147 4.323 1.00 0.00 C ATOM 0 H VAL A 62 -6.085 3.034 5.746 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.189 4.831 4.522 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.254 5.405 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.189 6.351 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.902 4.652 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.421 5.957 6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.309 7.808 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.452 7.480 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.647 7.173 3.794 1.00 0.00 H new ATOM 1086 N ALA A 63 -3.952 5.955 6.763 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.692 6.421 8.119 1.00 0.00 C ATOM 1088 C ALA A 63 -4.895 7.175 8.679 1.00 0.00 C ATOM 1089 O ALA A 63 -5.845 7.471 7.955 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.453 7.303 8.146 1.00 0.00 C ATOM 0 H ALA A 63 -3.272 6.269 6.071 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.516 5.550 8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.271 7.644 9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.593 6.733 7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.606 8.165 7.497 1.00 0.00 H new ATOM 1096 N GLY A 64 -4.848 7.480 9.971 1.00 0.00 N ATOM 1097 CA GLY A 64 -5.942 8.194 10.604 1.00 0.00 C ATOM 1098 C GLY A 64 -7.203 7.356 10.691 1.00 0.00 C ATOM 1099 O GLY A 64 -7.581 6.902 11.771 1.00 0.00 O ATOM 0 H GLY A 64 -4.073 7.246 10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.642 8.499 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.152 9.105 10.043 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.850 7.148 9.550 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.073 6.356 9.501 1.00 0.00 C ATOM 1105 C LYS A 65 -8.794 4.909 9.893 1.00 0.00 C ATOM 1106 O LYS A 65 -9.437 4.363 10.791 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.682 6.409 8.099 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.202 6.432 8.096 1.00 0.00 C ATOM 1109 CD LYS A 65 -11.783 5.027 8.115 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.963 4.897 7.166 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.649 3.584 7.307 1.00 0.00 N ATOM 0 H LYS A 65 -7.549 7.516 8.648 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.782 6.778 10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.313 7.296 7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.339 5.545 7.530 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.560 6.986 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.557 6.961 7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.011 4.310 7.837 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.100 4.777 9.127 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.674 5.700 7.359 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.618 5.017 6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -14.447 3.536 6.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.978 2.817 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.002 3.479 8.280 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.833 4.294 9.213 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.465 2.912 9.487 1.00 0.00 C ATOM 1127 C ASP A 66 -6.045 2.827 10.041 1.00 0.00 C ATOM 1128 O ASP A 66 -5.184 2.150 9.478 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.584 2.067 8.217 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.987 2.080 7.644 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.925 2.465 8.374 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.151 1.701 6.465 1.00 0.00 O ATOM 0 H ASP A 66 -7.294 4.733 8.466 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.152 2.521 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.885 2.441 7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.294 1.040 8.439 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.808 3.523 11.148 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.493 3.531 11.783 1.00 0.00 C ATOM 1139 C ASP A 67 -4.173 2.175 12.408 1.00 0.00 C ATOM 1140 O ASP A 67 -3.009 1.857 12.657 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.428 4.628 12.851 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.532 5.781 12.444 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.405 5.519 11.974 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.956 6.946 12.598 1.00 0.00 O ATOM 0 H ASP A 67 -6.509 4.090 11.625 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.749 3.735 11.013 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.433 5.003 13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.063 4.200 13.785 1.00 0.00 H new ATOM 1149 N MET A 68 -5.207 1.377 12.661 1.00 0.00 N ATOM 1150 CA MET A 68 -5.026 0.060 13.258 1.00 0.00 C ATOM 1151 C MET A 68 -4.727 -0.987 12.193 1.00 0.00 C ATOM 1152 O MET A 68 -3.852 -1.835 12.374 1.00 0.00 O ATOM 1153 CB MET A 68 -6.275 -0.339 14.048 1.00 0.00 C ATOM 1154 CG MET A 68 -6.181 -0.027 15.534 1.00 0.00 C ATOM 1155 SD MET A 68 -7.718 0.631 16.206 1.00 0.00 S ATOM 1156 CE MET A 68 -7.173 2.233 16.794 1.00 0.00 C ATOM 0 H MET A 68 -6.177 1.620 12.462 1.00 0.00 H new ATOM 0 HA MET A 68 -4.175 0.111 13.937 1.00 0.00 H new ATOM 0 HB2 MET A 68 -7.139 0.178 13.631 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.450 -1.407 13.920 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.912 -0.934 16.075 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.379 0.693 15.700 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.015 2.763 17.239 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.392 2.099 17.543 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.780 2.813 15.959 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.460 -0.929 11.087 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.273 -1.881 9.999 1.00 0.00 C ATOM 1168 C GLU A 69 -3.926 -1.669 9.311 1.00 0.00 C ATOM 1169 O GLU A 69 -3.250 -2.630 8.946 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.408 -1.760 8.981 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.533 -2.759 9.201 1.00 0.00 C ATOM 1172 CD GLU A 69 -7.121 -4.181 8.877 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -6.481 -4.825 9.736 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -7.439 -4.653 7.765 1.00 0.00 O ATOM 0 H GLU A 69 -6.188 -0.234 10.920 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.286 -2.884 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.817 -0.750 9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.002 -1.898 7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.862 -2.707 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.386 -2.482 8.582 1.00 0.00 H new ATOM 1181 N MET A 70 -3.541 -0.406 9.136 1.00 0.00 N ATOM 1182 CA MET A 70 -2.272 -0.075 8.491 1.00 0.00 C ATOM 1183 C MET A 70 -1.129 -0.893 9.086 1.00 0.00 C ATOM 1184 O MET A 70 -1.290 -1.533 10.126 1.00 0.00 O ATOM 1185 CB MET A 70 -1.976 1.419 8.636 1.00 0.00 C ATOM 1186 CG MET A 70 -1.147 1.988 7.496 1.00 0.00 C ATOM 1187 SD MET A 70 -1.524 3.719 7.160 1.00 0.00 S ATOM 1188 CE MET A 70 -2.108 3.614 5.470 1.00 0.00 C ATOM 0 H MET A 70 -4.088 0.403 9.431 1.00 0.00 H new ATOM 0 HA MET A 70 -2.357 -0.320 7.432 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.918 1.964 8.696 1.00 0.00 H new ATOM 0 HB3 MET A 70 -1.450 1.587 9.576 1.00 0.00 H new ATOM 0 HG2 MET A 70 -0.089 1.891 7.738 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.323 1.400 6.595 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.381 4.608 5.117 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.319 3.208 4.837 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.980 2.961 5.426 1.00 0.00 H new ATOM 1198 N CYS A 71 0.023 -0.874 8.423 1.00 0.00 N ATOM 1199 CA CYS A 71 1.184 -1.622 8.895 1.00 0.00 C ATOM 1200 C CYS A 71 1.547 -1.228 10.323 1.00 0.00 C ATOM 1201 O CYS A 71 2.065 -2.039 11.089 1.00 0.00 O ATOM 1202 CB CYS A 71 2.383 -1.397 7.979 1.00 0.00 C ATOM 1203 SG CYS A 71 3.460 -2.842 7.830 1.00 0.00 S ATOM 0 H CYS A 71 0.178 -0.351 7.561 1.00 0.00 H new ATOM 0 HA CYS A 71 0.921 -2.680 8.881 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.025 -1.117 6.988 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.966 -0.557 8.357 1.00 0.00 H new ATOM 0 HG CYS A 71 3.387 -3.315 6.621 1.00 0.00 H new ATOM 1209 N GLU A 72 1.272 0.028 10.673 1.00 0.00 N ATOM 1210 CA GLU A 72 1.569 0.542 12.009 1.00 0.00 C ATOM 1211 C GLU A 72 3.060 0.821 12.170 1.00 0.00 C ATOM 1212 O GLU A 72 3.467 1.957 12.413 1.00 0.00 O ATOM 1213 CB GLU A 72 1.099 -0.444 13.085 1.00 0.00 C ATOM 1214 CG GLU A 72 0.299 0.208 14.201 1.00 0.00 C ATOM 1215 CD GLU A 72 -0.704 -0.738 14.828 1.00 0.00 C ATOM 1216 OE1 GLU A 72 -1.018 -1.771 14.202 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -1.177 -0.446 15.948 1.00 0.00 O ATOM 0 H GLU A 72 0.843 0.710 10.048 1.00 0.00 H new ATOM 0 HA GLU A 72 1.028 1.480 12.132 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.490 -1.217 12.616 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.969 -0.941 13.515 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.982 0.569 14.970 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.225 1.078 13.806 1.00 0.00 H new ATOM 1224 N LYS A 73 3.866 -0.223 12.033 1.00 0.00 N ATOM 1225 CA LYS A 73 5.315 -0.100 12.164 1.00 0.00 C ATOM 1226 C LYS A 73 5.862 0.988 11.243 1.00 0.00 C ATOM 1227 O LYS A 73 5.204 1.394 10.284 1.00 0.00 O ATOM 1228 CB LYS A 73 5.991 -1.435 11.846 1.00 0.00 C ATOM 1229 CG LYS A 73 6.052 -2.384 13.032 1.00 0.00 C ATOM 1230 CD LYS A 73 4.859 -3.323 13.057 1.00 0.00 C ATOM 1231 CE LYS A 73 5.226 -4.674 13.650 1.00 0.00 C ATOM 1232 NZ LYS A 73 4.195 -5.706 13.360 1.00 0.00 N ATOM 0 H LYS A 73 3.541 -1.169 11.830 1.00 0.00 H new ATOM 0 HA LYS A 73 5.535 0.179 13.194 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.454 -1.920 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.004 -1.244 11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.973 -2.965 12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.083 -1.809 13.958 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.054 -2.875 13.640 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.481 -3.460 12.044 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.186 -4.998 13.249 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.348 -4.576 14.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.483 -6.612 13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.284 -5.410 13.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.096 -5.819 12.331 1.00 0.00 H new ATOM 1246 N ASN A 74 7.073 1.451 11.539 1.00 0.00 N ATOM 1247 CA ASN A 74 7.713 2.489 10.739 1.00 0.00 C ATOM 1248 C ASN A 74 8.276 1.900 9.448 1.00 0.00 C ATOM 1249 O ASN A 74 8.040 0.734 9.134 1.00 0.00 O ATOM 1250 CB ASN A 74 8.826 3.169 11.542 1.00 0.00 C ATOM 1251 CG ASN A 74 8.291 3.930 12.743 1.00 0.00 C ATOM 1252 OD1 ASN A 74 7.961 3.335 13.768 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.202 5.253 12.624 1.00 0.00 N ATOM 0 H ASN A 74 7.631 1.123 12.328 1.00 0.00 H new ATOM 0 HA ASN A 74 6.963 3.236 10.479 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.538 2.416 11.880 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.371 3.855 10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.849 5.812 13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.486 5.707 11.756 1.00 0.00 H new ATOM 1260 N LEU A 75 9.012 2.714 8.699 1.00 0.00 N ATOM 1261 CA LEU A 75 9.598 2.273 7.437 1.00 0.00 C ATOM 1262 C LEU A 75 10.629 1.170 7.653 1.00 0.00 C ATOM 1263 O LEU A 75 10.569 0.117 7.017 1.00 0.00 O ATOM 1264 CB LEU A 75 10.247 3.455 6.717 1.00 0.00 C ATOM 1265 CG LEU A 75 10.920 3.113 5.387 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.960 2.355 4.483 1.00 0.00 C ATOM 1267 CD2 LEU A 75 11.414 4.378 4.703 1.00 0.00 C ATOM 0 H LEU A 75 9.217 3.683 8.943 1.00 0.00 H new ATOM 0 HA LEU A 75 8.794 1.868 6.822 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.485 4.214 6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.990 3.900 7.379 1.00 0.00 H new ATOM 0 HG LEU A 75 11.779 2.472 5.588 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.456 2.120 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.653 1.430 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.082 2.971 4.287 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.891 4.118 3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.571 5.042 4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.135 4.882 5.347 1.00 0.00 H new ATOM 1279 N GLU A 76 11.581 1.416 8.545 1.00 0.00 N ATOM 1280 CA GLU A 76 12.629 0.442 8.835 1.00 0.00 C ATOM 1281 C GLU A 76 12.074 -0.766 9.584 1.00 0.00 C ATOM 1282 O GLU A 76 12.574 -1.881 9.441 1.00 0.00 O ATOM 1283 CB GLU A 76 13.747 1.093 9.653 1.00 0.00 C ATOM 1284 CG GLU A 76 13.241 1.918 10.825 1.00 0.00 C ATOM 1285 CD GLU A 76 14.011 1.647 12.103 1.00 0.00 C ATOM 1286 OE1 GLU A 76 15.087 2.255 12.288 1.00 0.00 O ATOM 1287 OE2 GLU A 76 13.538 0.828 12.918 1.00 0.00 O ATOM 0 H GLU A 76 11.650 2.281 9.081 1.00 0.00 H new ATOM 0 HA GLU A 76 13.033 0.096 7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.412 0.315 10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.340 1.732 8.999 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.315 2.977 10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.185 1.702 10.988 1.00 0.00 H new ATOM 1294 N GLU A 77 11.044 -0.533 10.391 1.00 0.00 N ATOM 1295 CA GLU A 77 10.427 -1.597 11.175 1.00 0.00 C ATOM 1296 C GLU A 77 9.725 -2.618 10.283 1.00 0.00 C ATOM 1297 O GLU A 77 9.754 -3.817 10.559 1.00 0.00 O ATOM 1298 CB GLU A 77 9.430 -1.006 12.171 1.00 0.00 C ATOM 1299 CG GLU A 77 10.087 -0.239 13.307 1.00 0.00 C ATOM 1300 CD GLU A 77 10.205 -1.061 14.574 1.00 0.00 C ATOM 1301 OE1 GLU A 77 10.441 -2.284 14.470 1.00 0.00 O ATOM 1302 OE2 GLU A 77 10.061 -0.485 15.672 1.00 0.00 O ATOM 0 H GLU A 77 10.618 0.385 10.519 1.00 0.00 H new ATOM 0 HA GLU A 77 11.221 -2.112 11.716 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.750 -0.340 11.640 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.826 -1.811 12.589 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.080 0.085 12.995 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.508 0.661 13.515 1.00 0.00 H new ATOM 1309 N THR A 78 9.090 -2.141 9.217 1.00 0.00 N ATOM 1310 CA THR A 78 8.377 -3.018 8.299 1.00 0.00 C ATOM 1311 C THR A 78 9.316 -4.054 7.687 1.00 0.00 C ATOM 1312 O THR A 78 9.278 -5.229 8.048 1.00 0.00 O ATOM 1313 CB THR A 78 7.718 -2.199 7.191 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.638 -1.284 6.626 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.517 -1.411 7.662 1.00 0.00 C ATOM 0 H THR A 78 9.055 -1.152 8.969 1.00 0.00 H new ATOM 0 HA THR A 78 7.608 -3.543 8.865 1.00 0.00 H new ATOM 0 HB THR A 78 7.386 -2.930 6.453 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.378 -1.135 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.097 -0.852 6.825 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.765 -2.095 8.056 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.822 -0.717 8.445 1.00 0.00 H new ATOM 1323 N GLY A 79 10.154 -3.608 6.758 1.00 0.00 N ATOM 1324 CA GLY A 79 11.085 -4.511 6.109 1.00 0.00 C ATOM 1325 C GLY A 79 11.285 -4.193 4.640 1.00 0.00 C ATOM 1326 O GLY A 79 12.261 -4.635 4.032 1.00 0.00 O ATOM 0 H GLY A 79 10.205 -2.639 6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.046 -4.464 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.721 -5.534 6.208 1.00 0.00 H new ATOM 1330 N LEU A 80 10.364 -3.424 4.062 1.00 0.00 N ATOM 1331 CA LEU A 80 10.454 -3.052 2.652 1.00 0.00 C ATOM 1332 C LEU A 80 11.835 -2.491 2.328 1.00 0.00 C ATOM 1333 O LEU A 80 12.414 -2.796 1.286 1.00 0.00 O ATOM 1334 CB LEU A 80 9.379 -2.021 2.300 1.00 0.00 C ATOM 1335 CG LEU A 80 7.967 -2.362 2.785 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.395 -1.225 3.619 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.054 -2.668 1.604 1.00 0.00 C ATOM 0 H LEU A 80 9.549 -3.048 4.547 1.00 0.00 H new ATOM 0 HA LEU A 80 10.293 -3.950 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.669 -1.059 2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.355 -1.900 1.217 1.00 0.00 H new ATOM 0 HG LEU A 80 8.028 -3.251 3.413 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.391 -1.488 3.953 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.033 -1.053 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.350 -0.318 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.055 -2.908 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.002 -1.798 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.451 -3.517 1.048 1.00 0.00 H new ATOM 1349 N THR A 81 12.358 -1.674 3.236 1.00 0.00 N ATOM 1350 CA THR A 81 13.673 -1.072 3.056 1.00 0.00 C ATOM 1351 C THR A 81 14.774 -2.105 3.274 1.00 0.00 C ATOM 1352 O THR A 81 15.870 -1.985 2.727 1.00 0.00 O ATOM 1353 CB THR A 81 13.858 0.098 4.023 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.142 -0.126 5.223 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.397 1.421 3.452 1.00 0.00 C ATOM 0 H THR A 81 11.891 -1.414 4.104 1.00 0.00 H new ATOM 0 HA THR A 81 13.741 -0.702 2.033 1.00 0.00 H new ATOM 0 HB THR A 81 14.930 0.154 4.209 1.00 0.00 H new ATOM 0 HG1 THR A 81 12.243 0.255 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.555 2.210 4.188 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.966 1.646 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.337 1.362 3.206 1.00 0.00 H new ATOM 1363 N ARG A 82 14.475 -3.120 4.080 1.00 0.00 N ATOM 1364 CA ARG A 82 15.437 -4.175 4.374 1.00 0.00 C ATOM 1365 C ARG A 82 15.567 -5.139 3.198 1.00 0.00 C ATOM 1366 O ARG A 82 16.606 -5.773 3.014 1.00 0.00 O ATOM 1367 CB ARG A 82 15.020 -4.941 5.631 1.00 0.00 C ATOM 1368 CG ARG A 82 14.546 -4.047 6.767 1.00 0.00 C ATOM 1369 CD ARG A 82 15.667 -3.161 7.289 1.00 0.00 C ATOM 1370 NE ARG A 82 15.982 -3.446 8.687 1.00 0.00 N ATOM 1371 CZ ARG A 82 16.630 -2.604 9.488 1.00 0.00 C ATOM 1372 NH1 ARG A 82 17.036 -1.425 9.034 1.00 0.00 N ATOM 1373 NH2 ARG A 82 16.874 -2.942 10.748 1.00 0.00 N ATOM 0 H ARG A 82 13.572 -3.233 4.541 1.00 0.00 H new ATOM 0 HA ARG A 82 16.406 -3.708 4.546 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.222 -5.638 5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.864 -5.537 5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.721 -3.424 6.421 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.161 -4.664 7.579 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.559 -3.307 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.379 -2.115 7.188 1.00 0.00 H new ATOM 0 HE ARG A 82 15.688 -4.344 9.072 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.852 -1.160 8.066 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.532 -0.784 9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.565 -3.847 11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.371 -2.297 11.362 1.00 0.00 H new ATOM 1387 N LYS A 83 14.504 -5.247 2.407 1.00 0.00 N ATOM 1388 CA LYS A 83 14.500 -6.137 1.251 1.00 0.00 C ATOM 1389 C LYS A 83 15.406 -5.606 0.146 1.00 0.00 C ATOM 1390 O LYS A 83 16.153 -4.649 0.347 1.00 0.00 O ATOM 1391 CB LYS A 83 13.076 -6.307 0.718 1.00 0.00 C ATOM 1392 CG LYS A 83 12.047 -6.573 1.805 1.00 0.00 C ATOM 1393 CD LYS A 83 11.010 -7.588 1.354 1.00 0.00 C ATOM 1394 CE LYS A 83 11.507 -9.012 1.541 1.00 0.00 C ATOM 1395 NZ LYS A 83 12.386 -9.445 0.420 1.00 0.00 N ATOM 0 H LYS A 83 13.636 -4.730 2.545 1.00 0.00 H new ATOM 0 HA LYS A 83 14.882 -7.106 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.791 -5.407 0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.060 -7.131 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.549 -6.938 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.552 -5.640 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.089 -7.445 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.768 -7.421 0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.055 -9.085 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.655 -9.687 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.323 -10.477 0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.080 -8.982 -0.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.370 -9.179 0.627 1.00 0.00 H new ATOM 1409 N ARG A 84 15.337 -6.238 -1.021 1.00 0.00 N ATOM 1410 CA ARG A 84 16.151 -5.834 -2.162 1.00 0.00 C ATOM 1411 C ARG A 84 15.350 -4.960 -3.121 1.00 0.00 C ATOM 1412 O ARG A 84 14.694 -5.462 -4.034 1.00 0.00 O ATOM 1413 CB ARG A 84 16.680 -7.065 -2.899 1.00 0.00 C ATOM 1414 CG ARG A 84 18.017 -6.835 -3.587 1.00 0.00 C ATOM 1415 CD ARG A 84 19.182 -7.202 -2.681 1.00 0.00 C ATOM 1416 NE ARG A 84 20.188 -8.002 -3.378 1.00 0.00 N ATOM 1417 CZ ARG A 84 20.041 -9.296 -3.656 1.00 0.00 C ATOM 1418 NH1 ARG A 84 18.936 -9.939 -3.300 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.004 -9.947 -4.293 1.00 0.00 N ATOM 0 H ARG A 84 14.725 -7.033 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 84 16.993 -5.253 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 84 16.782 -7.887 -2.190 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.947 -7.376 -3.643 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.064 -7.429 -4.500 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.100 -5.789 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.644 -6.292 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.810 -7.757 -1.820 1.00 0.00 H new ATOM 0 HE ARG A 84 21.051 -7.543 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.192 -9.442 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.831 -10.930 -3.516 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.855 -9.457 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.894 -10.938 -4.507 1.00 0.00 H new ATOM 1433 N GLY A 85 15.406 -3.650 -2.909 1.00 0.00 N ATOM 1434 CA GLY A 85 14.682 -2.728 -3.763 1.00 0.00 C ATOM 1435 C GLY A 85 13.181 -2.935 -3.702 1.00 0.00 C ATOM 1436 O GLY A 85 12.569 -3.382 -4.672 1.00 0.00 O ATOM 0 H GLY A 85 15.941 -3.210 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.916 -1.705 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.021 -2.849 -4.792 1.00 0.00 H new ATOM 1440 N ALA A 86 12.587 -2.608 -2.559 1.00 0.00 N ATOM 1441 CA ALA A 86 11.147 -2.759 -2.375 1.00 0.00 C ATOM 1442 C ALA A 86 10.401 -1.508 -2.832 1.00 0.00 C ATOM 1443 O ALA A 86 9.210 -1.561 -3.136 1.00 0.00 O ATOM 1444 CB ALA A 86 10.831 -3.057 -0.919 1.00 0.00 C ATOM 0 H ALA A 86 13.080 -2.237 -1.746 1.00 0.00 H new ATOM 0 HA ALA A 86 10.813 -3.596 -2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.754 -3.167 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.327 -3.981 -0.621 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.186 -2.237 -0.295 1.00 0.00 H new ATOM 1450 N GLU A 87 11.109 -0.382 -2.874 1.00 0.00 N ATOM 1451 CA GLU A 87 10.512 0.884 -3.287 1.00 0.00 C ATOM 1452 C GLU A 87 9.836 0.760 -4.651 1.00 0.00 C ATOM 1453 O GLU A 87 10.324 0.058 -5.537 1.00 0.00 O ATOM 1454 CB GLU A 87 11.579 1.979 -3.333 1.00 0.00 C ATOM 1455 CG GLU A 87 11.071 3.341 -2.892 1.00 0.00 C ATOM 1456 CD GLU A 87 12.172 4.378 -2.817 1.00 0.00 C ATOM 1457 OE1 GLU A 87 12.775 4.682 -3.869 1.00 0.00 O ATOM 1458 OE2 GLU A 87 12.434 4.888 -1.707 1.00 0.00 O ATOM 0 H GLU A 87 12.097 -0.321 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 87 9.751 1.151 -2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.414 1.688 -2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.965 2.056 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.304 3.681 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 87 10.597 3.249 -1.915 1.00 0.00 H new ATOM 1465 N ILE A 88 8.710 1.451 -4.809 1.00 0.00 N ATOM 1466 CA ILE A 88 7.965 1.424 -6.062 1.00 0.00 C ATOM 1467 C ILE A 88 7.634 2.835 -6.535 1.00 0.00 C ATOM 1468 O ILE A 88 7.813 3.804 -5.798 1.00 0.00 O ATOM 1469 CB ILE A 88 6.655 0.625 -5.923 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.757 1.250 -4.856 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.952 -0.829 -5.590 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.318 1.394 -5.293 1.00 0.00 C ATOM 0 H ILE A 88 8.294 2.036 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 88 8.604 0.935 -6.797 1.00 0.00 H new ATOM 0 HB ILE A 88 6.127 0.658 -6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.796 0.638 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.149 2.232 -4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.016 -1.379 -5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.553 -1.269 -6.386 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.501 -0.882 -4.650 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.737 1.844 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.268 2.030 -6.177 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.910 0.412 -5.530 1.00 0.00 H new ATOM 1484 N LEU A 89 7.146 2.942 -7.767 1.00 0.00 N ATOM 1485 CA LEU A 89 6.787 4.235 -8.335 1.00 0.00 C ATOM 1486 C LEU A 89 5.371 4.632 -7.920 1.00 0.00 C ATOM 1487 O LEU A 89 4.504 3.777 -7.746 1.00 0.00 O ATOM 1488 CB LEU A 89 6.893 4.196 -9.861 1.00 0.00 C ATOM 1489 CG LEU A 89 5.960 3.201 -10.551 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.465 3.764 -11.875 1.00 0.00 C ATOM 1491 CD2 LEU A 89 6.665 1.870 -10.763 1.00 0.00 C ATOM 0 H LEU A 89 6.991 2.149 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 89 7.484 4.980 -7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.687 5.193 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.921 3.955 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 89 5.097 3.033 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.802 3.042 -12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.922 4.692 -11.696 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.316 3.962 -12.527 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.987 1.173 -11.255 1.00 0.00 H new ATOM 0 HD22 LEU A 89 7.546 2.020 -11.387 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.968 1.461 -9.799 1.00 0.00 H new ATOM 1503 N PRO A 90 5.119 5.942 -7.756 1.00 0.00 N ATOM 1504 CA PRO A 90 3.800 6.449 -7.359 1.00 0.00 C ATOM 1505 C PRO A 90 2.739 6.203 -8.426 1.00 0.00 C ATOM 1506 O PRO A 90 1.550 6.111 -8.124 1.00 0.00 O ATOM 1507 CB PRO A 90 4.032 7.951 -7.172 1.00 0.00 C ATOM 1508 CG PRO A 90 5.233 8.260 -7.997 1.00 0.00 C ATOM 1509 CD PRO A 90 6.095 7.031 -7.945 1.00 0.00 C ATOM 0 HA PRO A 90 3.427 5.949 -6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.168 8.528 -7.501 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.199 8.197 -6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.952 8.497 -9.023 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.764 9.127 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.669 6.903 -8.863 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.812 7.076 -7.125 1.00 0.00 H new ATOM 1517 N ARG A 91 3.178 6.100 -9.677 1.00 0.00 N ATOM 1518 CA ARG A 91 2.265 5.867 -10.790 1.00 0.00 C ATOM 1519 C ARG A 91 1.524 4.543 -10.625 1.00 0.00 C ATOM 1520 O ARG A 91 0.295 4.502 -10.660 1.00 0.00 O ATOM 1521 CB ARG A 91 3.033 5.876 -12.114 1.00 0.00 C ATOM 1522 CG ARG A 91 2.435 6.805 -13.158 1.00 0.00 C ATOM 1523 CD ARG A 91 1.401 6.091 -14.013 1.00 0.00 C ATOM 1524 NE ARG A 91 2.002 5.457 -15.184 1.00 0.00 N ATOM 1525 CZ ARG A 91 1.313 5.081 -16.261 1.00 0.00 C ATOM 1526 NH1 ARG A 91 0.001 5.274 -16.317 1.00 0.00 N ATOM 1527 NH2 ARG A 91 1.939 4.512 -17.283 1.00 0.00 N ATOM 0 H ARG A 91 4.159 6.174 -9.945 1.00 0.00 H new ATOM 0 HA ARG A 91 1.529 6.671 -10.797 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.065 6.173 -11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.061 4.863 -12.515 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.973 7.659 -12.664 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.228 7.196 -13.795 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.893 5.336 -13.413 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.643 6.804 -14.336 1.00 0.00 H new ATOM 0 HE ARG A 91 3.009 5.292 -15.177 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.484 5.712 -15.534 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.522 4.985 -17.143 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.947 4.362 -17.244 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.412 4.224 -18.107 1.00 0.00 H new ATOM 1541 N GLN A 92 2.281 3.465 -10.448 1.00 0.00 N ATOM 1542 CA GLN A 92 1.699 2.138 -10.279 1.00 0.00 C ATOM 1543 C GLN A 92 0.753 2.101 -9.083 1.00 0.00 C ATOM 1544 O GLN A 92 -0.390 1.653 -9.194 1.00 0.00 O ATOM 1545 CB GLN A 92 2.803 1.091 -10.105 1.00 0.00 C ATOM 1546 CG GLN A 92 3.163 0.367 -11.392 1.00 0.00 C ATOM 1547 CD GLN A 92 2.654 -1.061 -11.420 1.00 0.00 C ATOM 1548 OE1 GLN A 92 3.413 -2.006 -11.208 1.00 0.00 O ATOM 1549 NE2 GLN A 92 1.362 -1.223 -11.680 1.00 0.00 N ATOM 0 H GLN A 92 3.300 3.484 -10.418 1.00 0.00 H new ATOM 0 HA GLN A 92 1.125 1.906 -11.177 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.695 1.578 -9.710 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.484 0.359 -9.363 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.749 0.913 -12.240 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.246 0.365 -11.513 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.770 -0.410 -11.850 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.961 -2.161 -11.710 1.00 0.00 H new ATOM 1558 N PHE A 93 1.236 2.574 -7.939 1.00 0.00 N ATOM 1559 CA PHE A 93 0.436 2.598 -6.718 1.00 0.00 C ATOM 1560 C PHE A 93 -0.885 3.322 -6.953 1.00 0.00 C ATOM 1561 O PHE A 93 -1.956 2.784 -6.676 1.00 0.00 O ATOM 1562 CB PHE A 93 1.210 3.280 -5.589 1.00 0.00 C ATOM 1563 CG PHE A 93 0.506 3.225 -4.262 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.222 2.010 -3.663 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.129 4.392 -3.615 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.427 1.956 -2.444 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.519 4.346 -2.396 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.797 3.126 -1.809 1.00 0.00 C ATOM 0 H PHE A 93 2.179 2.947 -7.831 1.00 0.00 H new ATOM 0 HA PHE A 93 0.222 1.568 -6.431 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.188 2.808 -5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.384 4.322 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.511 1.093 -4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.344 5.348 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.645 1.001 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.808 5.262 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.303 3.087 -0.855 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.800 4.541 -7.475 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.994 5.327 -7.754 1.00 0.00 C ATOM 1580 C GLU A 94 -2.761 4.734 -8.933 1.00 0.00 C ATOM 1581 O GLU A 94 -3.958 4.974 -9.086 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.626 6.786 -8.034 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.024 7.733 -6.913 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.872 8.044 -5.977 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -0.123 9.004 -6.256 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.718 7.328 -4.965 1.00 0.00 O ATOM 0 H GLU A 94 0.078 5.003 -7.712 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.637 5.298 -6.874 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.550 6.857 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.109 7.104 -8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.399 8.662 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.842 7.292 -6.343 1.00 0.00 H new ATOM 1593 N GLU A 95 -2.072 3.941 -9.754 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.704 3.303 -10.899 1.00 0.00 C ATOM 1595 C GLU A 95 -3.833 2.406 -10.417 1.00 0.00 C ATOM 1596 O GLU A 95 -4.964 2.491 -10.897 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.684 2.481 -11.691 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.636 2.830 -13.167 1.00 0.00 C ATOM 1599 CD GLU A 95 -0.985 1.746 -14.003 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.352 0.565 -13.834 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -0.106 2.079 -14.825 1.00 0.00 O ATOM 0 H GLU A 95 -1.080 3.728 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.105 4.075 -11.556 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.695 2.631 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.921 1.423 -11.584 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.650 3.003 -13.529 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.088 3.763 -13.298 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.514 1.560 -9.445 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.493 0.658 -8.867 1.00 0.00 C ATOM 1610 C ILE A 96 -5.427 1.418 -7.938 1.00 0.00 C ATOM 1611 O ILE A 96 -6.614 1.106 -7.834 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.807 -0.465 -8.080 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.674 -1.071 -8.911 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.817 -1.530 -7.681 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -3.102 -1.483 -10.305 1.00 0.00 C ATOM 0 H ILE A 96 -2.580 1.482 -9.042 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.065 0.220 -9.685 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.381 -0.047 -7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.863 -0.347 -8.987 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.276 -1.941 -8.389 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.313 -2.319 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.591 -1.082 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.273 -1.953 -8.576 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.249 -1.904 -10.838 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.893 -2.230 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.472 -0.611 -10.844 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.880 2.434 -7.274 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.654 3.262 -6.361 1.00 0.00 C ATOM 1629 C TRP A 97 -6.899 3.788 -7.064 1.00 0.00 C ATOM 1630 O TRP A 97 -7.987 3.818 -6.496 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.800 4.430 -5.862 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.243 4.980 -4.541 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.658 6.254 -4.282 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.307 4.275 -3.296 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.982 6.384 -2.953 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.774 5.182 -2.326 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.016 2.963 -2.910 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.956 4.818 -0.992 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.199 2.603 -1.588 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.664 3.525 -0.642 1.00 0.00 C ATOM 0 H TRP A 97 -3.899 2.702 -7.354 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.959 2.658 -5.507 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.764 4.102 -5.780 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.823 5.228 -6.604 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.722 7.045 -5.015 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.322 7.235 -2.506 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.655 2.245 -3.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.314 5.529 -0.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -4.979 1.592 -1.279 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.795 3.211 0.383 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.722 4.187 -8.318 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.823 4.698 -9.125 1.00 0.00 C ATOM 1653 C GLU A 98 -8.563 3.548 -9.804 1.00 0.00 C ATOM 1654 O GLU A 98 -9.759 3.640 -10.079 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.301 5.684 -10.174 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.825 7.099 -9.990 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.735 7.924 -11.258 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -6.640 7.978 -11.856 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -8.760 8.516 -11.656 1.00 0.00 O ATOM 0 H GLU A 98 -5.823 4.166 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.519 5.221 -8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.212 5.701 -10.135 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.579 5.328 -11.166 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.863 7.058 -9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.259 7.592 -9.199 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.836 2.467 -10.075 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.410 1.295 -10.725 1.00 0.00 C ATOM 1668 C ARG A 99 -9.526 0.686 -9.880 1.00 0.00 C ATOM 1669 O ARG A 99 -10.594 0.354 -10.393 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.324 0.251 -10.983 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.486 -0.482 -12.305 1.00 0.00 C ATOM 1672 CD ARG A 99 -8.150 -1.836 -12.113 1.00 0.00 C ATOM 1673 NE ARG A 99 -8.956 -2.218 -13.271 1.00 0.00 N ATOM 1674 CZ ARG A 99 -9.916 -3.140 -13.235 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -10.190 -3.780 -12.106 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -10.603 -3.423 -14.334 1.00 0.00 N ATOM 0 H ARG A 99 -6.844 2.380 -9.853 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.837 1.613 -11.676 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.350 0.740 -10.965 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.330 -0.476 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -8.083 0.124 -12.987 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -6.509 -0.617 -12.770 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -7.386 -2.593 -11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.781 -1.808 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 99 -8.772 -1.751 -14.159 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.664 -3.567 -11.258 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.927 -4.485 -12.085 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.396 -2.935 -15.205 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.339 -4.129 -14.308 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.270 0.538 -8.584 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.254 -0.039 -7.673 1.00 0.00 C ATOM 1692 C CYS A 100 -11.183 1.040 -7.116 1.00 0.00 C ATOM 1693 O CYS A 100 -12.283 1.246 -7.629 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.549 -0.779 -6.532 1.00 0.00 C ATOM 1695 SG CYS A 100 -10.667 -1.452 -5.278 1.00 0.00 S ATOM 0 H CYS A 100 -8.392 0.809 -8.141 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.861 -0.751 -8.232 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -8.960 -1.594 -6.952 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -8.849 -0.097 -6.050 1.00 0.00 H new ATOM 0 HG CYS A 100 -10.269 -1.081 -4.097 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.740 1.725 -6.064 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.554 2.766 -5.464 1.00 0.00 C ATOM 1703 C GLY A 101 -10.839 3.491 -4.341 1.00 0.00 C ATOM 1704 O GLY A 101 -11.462 3.902 -3.361 1.00 0.00 O ATOM 0 H GLY A 101 -9.834 1.577 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.841 3.485 -6.231 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.474 2.326 -5.080 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.527 3.650 -4.483 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.746 4.333 -3.469 1.00 0.00 C ATOM 1710 C GLY A 102 -9.227 5.746 -3.218 1.00 0.00 C ATOM 1711 O GLY A 102 -9.533 6.115 -2.084 1.00 0.00 O ATOM 0 H GLY A 102 -8.990 3.317 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.791 3.767 -2.539 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.701 4.358 -3.777 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.297 6.539 -4.282 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.747 7.922 -4.177 1.00 0.00 C ATOM 1717 C ILE A 103 -11.153 7.999 -3.593 1.00 0.00 C ATOM 1718 O ILE A 103 -11.480 8.931 -2.857 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.733 8.620 -5.547 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.377 8.394 -6.233 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -10.034 10.105 -5.386 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.959 9.509 -7.168 1.00 0.00 C ATOM 0 H ILE A 103 -9.048 6.247 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.052 8.432 -3.510 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.510 8.191 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.611 8.272 -5.467 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.418 7.461 -6.795 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.021 10.587 -6.364 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.018 10.230 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.279 10.562 -4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.992 9.270 -7.610 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.702 9.619 -7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.882 10.442 -6.610 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.982 7.014 -3.923 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.352 6.973 -3.430 1.00 0.00 C ATOM 1736 C GLN A 104 -13.372 6.828 -1.911 1.00 0.00 C ATOM 1737 O GLN A 104 -14.062 7.572 -1.214 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.115 5.815 -4.076 1.00 0.00 C ATOM 1739 CG GLN A 104 -14.549 6.093 -5.506 1.00 0.00 C ATOM 1740 CD GLN A 104 -13.429 5.886 -6.506 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -12.558 6.879 -6.635 1.00 0.00 O flip ATOM 1742 NE2 GLN A 104 -13.347 4.842 -7.157 1.00 0.00 N flip ATOM 0 H GLN A 104 -11.728 6.234 -4.530 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.840 7.910 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.486 4.925 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.996 5.592 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.384 5.441 -5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -14.911 7.118 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.039 4.104 -7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.587 4.717 -7.826 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.603 5.869 -1.406 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.523 5.629 0.028 1.00 0.00 C ATOM 1753 C TYR A 105 -11.916 6.836 0.737 1.00 0.00 C ATOM 1754 O TYR A 105 -12.391 7.255 1.793 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.686 4.378 0.310 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.484 4.095 1.782 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.569 3.985 2.644 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.208 3.938 2.308 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.387 3.726 3.989 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.019 3.678 3.653 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.111 3.573 4.489 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.927 3.316 5.827 1.00 0.00 O ATOM 0 H TYR A 105 -12.026 5.245 -1.970 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.532 5.471 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.169 3.517 -0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.712 4.490 -0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.570 4.104 2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.350 4.020 1.657 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -13.240 3.644 4.646 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.021 3.558 4.047 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.676 2.376 5.948 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.868 7.395 0.140 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.196 8.557 0.703 1.00 0.00 C ATOM 1774 C LEU A 106 -11.134 9.759 0.735 1.00 0.00 C ATOM 1775 O LEU A 106 -11.232 10.458 1.741 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.944 8.887 -0.113 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.686 9.151 0.715 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.516 9.507 -0.188 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.934 10.256 1.731 1.00 0.00 C ATOM 0 H LEU A 106 -10.466 7.060 -0.736 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.902 8.323 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.745 8.061 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.149 9.765 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.436 8.239 1.257 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.630 9.691 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.321 8.682 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.757 10.404 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.027 10.428 2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.212 11.173 1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.741 9.960 2.401 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.824 9.986 -0.378 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.762 11.099 -0.484 1.00 0.00 C ATOM 1793 C GLN A 107 -13.887 10.958 0.538 1.00 0.00 C ATOM 1794 O GLN A 107 -14.444 11.951 1.006 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.347 11.167 -1.897 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.508 11.981 -2.867 1.00 0.00 C ATOM 1797 CD GLN A 107 -12.209 13.375 -2.352 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -11.200 13.599 -1.681 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -13.086 14.323 -2.663 1.00 0.00 N ATOM 0 H GLN A 107 -11.752 9.414 -1.220 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.220 12.022 -0.278 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.455 10.154 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.347 11.597 -1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.570 11.459 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.031 12.054 -3.821 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -13.908 14.094 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.937 15.280 -2.344 1.00 0.00 H new ATOM 1808 N SER A 108 -14.213 9.714 0.879 1.00 0.00 N ATOM 1809 CA SER A 108 -15.269 9.435 1.846 1.00 0.00 C ATOM 1810 C SER A 108 -14.855 9.884 3.242 1.00 0.00 C ATOM 1811 O SER A 108 -15.588 10.606 3.917 1.00 0.00 O ATOM 1812 CB SER A 108 -15.600 7.941 1.856 1.00 0.00 C ATOM 1813 OG SER A 108 -15.968 7.492 0.562 1.00 0.00 O ATOM 0 H SER A 108 -13.760 8.883 0.499 1.00 0.00 H new ATOM 0 HA SER A 108 -16.157 9.994 1.550 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.737 7.376 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.414 7.750 2.556 1.00 0.00 H new ATOM 0 HG SER A 108 -15.161 7.345 0.025 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.664 9.469 3.660 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.144 9.849 4.967 1.00 0.00 C ATOM 1821 C ALA A 109 -12.770 11.322 4.956 1.00 0.00 C ATOM 1822 O ALA A 109 -12.905 12.025 5.958 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.941 8.992 5.331 1.00 0.00 C ATOM 0 H ALA A 109 -13.043 8.872 3.114 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.914 9.685 5.720 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.565 9.289 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.237 7.943 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.158 9.129 4.585 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.313 11.779 3.798 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.928 13.166 3.610 1.00 0.00 C ATOM 1831 C ILE A 110 -13.095 14.092 3.947 1.00 0.00 C ATOM 1832 O ILE A 110 -12.941 15.055 4.697 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.466 13.399 2.153 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.983 13.060 2.005 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.727 14.826 1.709 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.531 12.948 0.565 1.00 0.00 C ATOM 0 H ILE A 110 -12.200 11.199 2.967 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.100 13.391 4.282 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.047 12.738 1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.391 13.827 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.781 12.118 2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.390 14.954 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.795 15.037 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.184 15.514 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.469 12.706 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.097 12.161 0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.701 13.896 0.055 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.262 13.782 3.392 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.460 14.576 3.638 1.00 0.00 C ATOM 1850 C GLU A 111 -15.906 14.430 5.088 1.00 0.00 C ATOM 1851 O GLU A 111 -16.348 15.394 5.713 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.588 14.146 2.698 1.00 0.00 C ATOM 1853 CG GLU A 111 -16.330 14.488 1.240 1.00 0.00 C ATOM 1854 CD GLU A 111 -17.576 14.977 0.528 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -18.218 15.921 1.035 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -17.911 14.416 -0.537 1.00 0.00 O ATOM 0 H GLU A 111 -14.404 12.987 2.769 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.223 15.623 3.447 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.735 13.070 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.515 14.623 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.558 15.255 1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.944 13.607 0.727 1.00 0.00 H new ATOM 1863 N SER A 112 -15.779 13.218 5.616 1.00 0.00 N ATOM 1864 CA SER A 112 -16.161 12.940 6.994 1.00 0.00 C ATOM 1865 C SER A 112 -15.096 13.435 7.975 1.00 0.00 C ATOM 1866 O SER A 112 -15.283 13.368 9.188 1.00 0.00 O ATOM 1867 CB SER A 112 -16.388 11.439 7.189 1.00 0.00 C ATOM 1868 OG SER A 112 -17.751 11.100 7.005 1.00 0.00 O ATOM 0 H SER A 112 -15.414 12.412 5.109 1.00 0.00 H new ATOM 0 HA SER A 112 -17.089 13.474 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 112 -15.773 10.881 6.483 1.00 0.00 H new ATOM 0 HB3 SER A 112 -16.070 11.147 8.190 1.00 0.00 H new ATOM 0 HG SER A 112 -17.868 10.136 7.133 1.00 0.00 H new ATOM 1874 N ARG A 113 -13.980 13.930 7.439 1.00 0.00 N ATOM 1875 CA ARG A 113 -12.888 14.433 8.267 1.00 0.00 C ATOM 1876 C ARG A 113 -12.261 13.309 9.082 1.00 0.00 C ATOM 1877 O ARG A 113 -11.845 13.510 10.223 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.384 15.543 9.197 1.00 0.00 C ATOM 1879 CG ARG A 113 -13.849 16.788 8.461 1.00 0.00 C ATOM 1880 CD ARG A 113 -12.688 17.508 7.794 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.043 18.010 6.467 1.00 0.00 N ATOM 1882 CZ ARG A 113 -13.729 19.132 6.259 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -14.138 19.870 7.284 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -14.007 19.518 5.021 1.00 0.00 N ATOM 0 H ARG A 113 -13.810 13.993 6.435 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.127 14.845 7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.206 15.159 9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.583 15.815 9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.588 16.512 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.343 17.462 9.161 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.368 18.339 8.422 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.840 16.828 7.709 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.748 17.469 5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.927 19.579 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.663 20.728 7.117 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.695 18.955 4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -14.532 20.377 4.861 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.192 12.125 8.485 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.613 10.963 9.149 1.00 0.00 C ATOM 1900 C GLN A 114 -10.296 10.560 8.490 1.00 0.00 C ATOM 1901 O GLN A 114 -9.438 9.946 9.125 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.593 9.789 9.114 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.558 9.767 10.289 1.00 0.00 C ATOM 1904 CD GLN A 114 -13.158 8.763 11.352 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -13.995 8.020 11.867 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -11.872 8.735 11.687 1.00 0.00 N ATOM 0 H GLN A 114 -12.531 11.944 7.540 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.413 11.231 10.187 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.164 9.831 8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.029 8.856 9.100 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.607 10.761 10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.559 9.530 9.928 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -11.213 9.369 11.235 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -11.544 8.080 12.397 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.142 10.909 7.215 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.929 10.585 6.472 1.00 0.00 C ATOM 1917 C ALA A 115 -7.690 11.141 7.170 1.00 0.00 C ATOM 1918 O ALA A 115 -6.603 10.574 7.071 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.023 11.117 5.051 1.00 0.00 C ATOM 0 H ALA A 115 -10.843 11.417 6.675 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.834 9.500 6.435 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.111 10.868 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.879 10.665 4.549 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.147 12.200 5.075 1.00 0.00 H new ATOM 1925 N ARG A 116 -7.865 12.254 7.878 1.00 0.00 N ATOM 1926 CA ARG A 116 -6.766 12.889 8.599 1.00 0.00 C ATOM 1927 C ARG A 116 -5.784 13.560 7.638 1.00 0.00 C ATOM 1928 O ARG A 116 -4.902 12.902 7.084 1.00 0.00 O ATOM 1929 CB ARG A 116 -6.029 11.858 9.461 1.00 0.00 C ATOM 1930 CG ARG A 116 -5.957 12.232 10.933 1.00 0.00 C ATOM 1931 CD ARG A 116 -5.333 11.119 11.761 1.00 0.00 C ATOM 1932 NE ARG A 116 -4.484 11.641 12.829 1.00 0.00 N ATOM 1933 CZ ARG A 116 -3.652 10.892 13.549 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -3.550 9.588 13.322 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -2.918 11.449 14.502 1.00 0.00 N ATOM 0 H ARG A 116 -8.760 12.735 7.968 1.00 0.00 H new ATOM 0 HA ARG A 116 -7.192 13.658 9.243 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -6.528 10.894 9.364 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.017 11.733 9.077 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.373 13.145 11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -6.959 12.445 11.305 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.122 10.503 12.193 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -4.743 10.472 11.112 1.00 0.00 H new ATOM 0 HE ARG A 116 -4.532 12.639 13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.112 9.152 12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -2.910 9.022 13.879 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -2.991 12.450 14.683 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -2.280 10.876 15.055 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.916 14.884 7.433 1.00 0.00 N ATOM 1950 CA PRO A 117 -5.028 15.643 6.540 1.00 0.00 C ATOM 1951 C PRO A 117 -3.555 15.414 6.871 1.00 0.00 C ATOM 1952 O PRO A 117 -2.963 16.156 7.655 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.420 17.099 6.809 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.831 17.027 7.279 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.936 15.748 8.060 1.00 0.00 C ATOM 0 HA PRO A 117 -5.137 15.346 5.497 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.774 17.551 7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.333 17.706 5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.081 17.887 7.901 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.524 17.030 6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -6.734 15.906 9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.933 15.312 7.987 1.00 0.00 H new ATOM 1963 N THR A 118 -2.974 14.377 6.275 1.00 0.00 N ATOM 1964 CA THR A 118 -1.571 14.045 6.513 1.00 0.00 C ATOM 1965 C THR A 118 -0.732 14.278 5.262 1.00 0.00 C ATOM 1966 O THR A 118 0.368 14.828 5.334 1.00 0.00 O ATOM 1967 CB THR A 118 -1.443 12.588 6.962 1.00 0.00 C ATOM 1968 OG1 THR A 118 -0.096 12.276 7.272 1.00 0.00 O ATOM 1969 CG2 THR A 118 -1.915 11.596 5.922 1.00 0.00 C ATOM 0 H THR A 118 -3.451 13.752 5.625 1.00 0.00 H new ATOM 0 HA THR A 118 -1.198 14.699 7.302 1.00 0.00 H new ATOM 0 HB THR A 118 -2.082 12.500 7.840 1.00 0.00 H new ATOM 0 HG1 THR A 118 -0.034 11.341 7.558 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.796 10.583 6.306 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.966 11.778 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.323 11.712 5.014 1.00 0.00 H new ATOM 1977 N TYR A 119 -1.256 13.858 4.114 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.554 14.025 2.846 1.00 0.00 C ATOM 1979 C TYR A 119 -1.383 13.484 1.686 1.00 0.00 C ATOM 1980 O TYR A 119 -1.774 14.232 0.789 1.00 0.00 O ATOM 1981 CB TYR A 119 0.803 13.321 2.880 1.00 0.00 C ATOM 1982 CG TYR A 119 1.590 13.484 1.599 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.273 12.742 0.469 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.640 14.388 1.518 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.985 12.894 -0.706 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.355 14.549 0.346 1.00 0.00 C ATOM 1987 CZ TYR A 119 3.024 13.798 -0.763 1.00 0.00 C ATOM 1988 OH TYR A 119 3.732 13.955 -1.931 1.00 0.00 O ATOM 0 H TYR A 119 -2.164 13.400 4.036 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.396 15.093 2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.388 13.714 3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.650 12.259 3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.457 12.035 0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 119 2.903 14.976 2.385 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.728 12.307 -1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.168 15.258 0.299 1.00 0.00 H new ATOM 0 HH TYR A 119 4.430 14.631 -1.802 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.645 12.180 1.705 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.424 11.543 0.650 1.00 0.00 C ATOM 2000 C ALA A 120 -3.760 12.250 0.455 1.00 0.00 C ATOM 2001 O ALA A 120 -4.247 12.377 -0.669 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.639 10.070 0.965 1.00 0.00 C ATOM 0 H ALA A 120 -1.329 11.545 2.439 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.863 11.621 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.222 9.609 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.674 9.570 1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.175 9.974 1.909 1.00 0.00 H new ATOM 2008 N THR A 121 -4.343 12.719 1.555 1.00 0.00 N ATOM 2009 CA THR A 121 -5.616 13.423 1.495 1.00 0.00 C ATOM 2010 C THR A 121 -5.480 14.677 0.640 1.00 0.00 C ATOM 2011 O THR A 121 -6.300 14.932 -0.242 1.00 0.00 O ATOM 2012 CB THR A 121 -6.097 13.787 2.901 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.999 14.013 3.769 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.970 12.717 3.521 1.00 0.00 C ATOM 0 H THR A 121 -3.955 12.624 2.493 1.00 0.00 H new ATOM 0 HA THR A 121 -6.356 12.765 1.040 1.00 0.00 H new ATOM 0 HB THR A 121 -6.689 14.695 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.756 13.175 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.280 13.032 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.852 12.561 2.899 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.408 11.786 3.594 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.424 15.445 0.890 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.168 16.658 0.124 1.00 0.00 C ATOM 2024 C ALA A 122 -3.857 16.296 -1.321 1.00 0.00 C ATOM 2025 O ALA A 122 -4.397 16.884 -2.261 1.00 0.00 O ATOM 2026 CB ALA A 122 -3.019 17.443 0.740 1.00 0.00 C ATOM 0 H ALA A 122 -3.734 15.249 1.615 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.058 17.287 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.841 18.346 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.273 17.717 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.119 16.829 0.742 1.00 0.00 H new ATOM 2032 N MET A 123 -2.988 15.302 -1.484 1.00 0.00 N ATOM 2033 CA MET A 123 -2.602 14.825 -2.802 1.00 0.00 C ATOM 2034 C MET A 123 -3.829 14.362 -3.575 1.00 0.00 C ATOM 2035 O MET A 123 -3.921 14.554 -4.789 1.00 0.00 O ATOM 2036 CB MET A 123 -1.589 13.686 -2.673 1.00 0.00 C ATOM 2037 CG MET A 123 -0.520 13.697 -3.752 1.00 0.00 C ATOM 2038 SD MET A 123 -1.190 13.373 -5.394 1.00 0.00 S ATOM 2039 CE MET A 123 -2.267 11.989 -5.045 1.00 0.00 C ATOM 0 H MET A 123 -2.537 14.811 -0.712 1.00 0.00 H new ATOM 0 HA MET A 123 -2.137 15.644 -3.351 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.108 13.747 -1.697 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.119 12.734 -2.708 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.019 14.665 -3.752 1.00 0.00 H new ATOM 0 HG3 MET A 123 0.236 12.947 -3.517 1.00 0.00 H new ATOM 0 HE1 MET A 123 -2.144 11.229 -5.816 1.00 0.00 H new ATOM 0 HE2 MET A 123 -2.012 11.565 -4.074 1.00 0.00 H new ATOM 0 HE3 MET A 123 -3.303 12.328 -5.032 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.780 13.770 -2.860 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.012 13.302 -3.480 1.00 0.00 C ATOM 2051 C LEU A 124 -6.833 14.492 -3.954 1.00 0.00 C ATOM 2052 O LEU A 124 -7.332 14.515 -5.081 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.823 12.459 -2.493 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.772 11.445 -3.138 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.203 10.038 -3.047 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.146 11.511 -2.488 1.00 0.00 C ATOM 0 H LEU A 124 -4.721 13.604 -1.855 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.759 12.678 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.132 11.924 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.406 13.128 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.878 11.700 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.894 9.335 -3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.244 9.999 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.062 9.770 -2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.807 10.783 -2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.057 11.285 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.560 12.512 -2.613 1.00 0.00 H new ATOM 2068 N GLN A 125 -6.952 15.491 -3.084 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.693 16.703 -3.408 1.00 0.00 C ATOM 2070 C GLN A 125 -7.225 17.256 -4.745 1.00 0.00 C ATOM 2071 O GLN A 125 -8.023 17.735 -5.549 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.508 17.754 -2.311 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.203 17.401 -1.007 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.714 17.482 -1.112 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.367 16.326 -1.145 1.00 0.00 O flip ATOM 2076 NE2 GLN A 125 -10.287 18.570 -1.163 1.00 0.00 N flip ATOM 0 H GLN A 125 -6.544 15.484 -2.149 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.752 16.456 -3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.443 17.885 -2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.888 18.711 -2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.917 16.393 -0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.860 18.076 -0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.745 19.434 -1.135 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.304 18.608 -1.234 1.00 0.00 H new ATOM 2085 N ASN A 126 -5.918 17.167 -4.981 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.340 17.640 -6.229 1.00 0.00 C ATOM 2087 C ASN A 126 -5.617 16.642 -7.344 1.00 0.00 C ATOM 2088 O ASN A 126 -5.847 17.024 -8.491 1.00 0.00 O ATOM 2089 CB ASN A 126 -3.835 17.862 -6.076 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.508 18.877 -4.997 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.362 19.668 -4.596 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.268 18.858 -4.523 1.00 0.00 N ATOM 0 H ASN A 126 -5.244 16.773 -4.325 1.00 0.00 H new ATOM 0 HA ASN A 126 -5.802 18.593 -6.486 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.353 16.914 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.422 18.200 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -1.990 19.517 -3.796 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -1.594 18.184 -4.886 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.619 15.360 -6.992 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.899 14.307 -7.957 1.00 0.00 C ATOM 2101 C LEU A 127 -7.285 14.506 -8.562 1.00 0.00 C ATOM 2102 O LEU A 127 -7.583 13.997 -9.642 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.811 12.935 -7.284 1.00 0.00 C ATOM 2104 CG LEU A 127 -4.668 12.043 -7.768 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.511 10.838 -6.855 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -4.914 11.598 -9.202 1.00 0.00 C ATOM 0 H LEU A 127 -5.430 15.027 -6.046 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.156 14.355 -8.753 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.705 13.082 -6.209 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.753 12.409 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 127 -3.743 12.619 -7.739 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.693 10.214 -7.214 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.292 11.175 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -5.435 10.260 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -4.091 10.964 -9.532 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.848 11.038 -9.254 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.979 12.473 -9.848 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.129 15.254 -7.853 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.485 15.526 -8.314 1.00 0.00 C ATOM 2120 C LEU A 128 -9.535 16.812 -9.129 1.00 0.00 C ATOM 2121 O LEU A 128 -9.808 16.790 -10.329 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.441 15.623 -7.124 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.325 14.487 -6.105 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -10.539 15.011 -4.693 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.325 13.385 -6.424 1.00 0.00 C ATOM 0 H LEU A 128 -7.895 15.682 -6.957 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.797 14.701 -8.954 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.265 16.569 -6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.464 15.650 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.320 14.070 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -10.453 14.189 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -9.786 15.766 -4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -11.532 15.454 -4.616 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.230 12.584 -5.691 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.336 13.790 -6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -11.126 12.990 -7.420 1.00 0.00 H new