USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 576 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 65 ASN :FLIP amide:sc= -0.0704 F(o=-2.3,f=0.45) USER MOD Set 1.2: A 67 SER OG : rot 98:sc= 0.524 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0389 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 60:sc= -1.43 USER MOD Single : A 22 MET CE :methyl 148:sc= -0.106 (180deg=-0.645) USER MOD Single : A 23 THR OG1 : rot 63:sc= -1.03! USER MOD Single : A 24 THR OG1 : rot -89:sc= -1.31 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= -0.05 USER MOD Single : A 58 ASN : amide:sc= -1.69 X(o=-1.7,f=-1.7) USER MOD Single : A 60 SER OG : rot 90:sc= 1.28 USER MOD Single : A 61 MET CE :methyl -130:sc= -0.208 (180deg=-1.46) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.045) USER MOD Single : A 74 GLN : amide:sc= -0.294 X(o=-0.29,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -10:sc= -0.843 USER MOD Single : A 78 GLN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 81 LYS NZ :NH3+ -139:sc= -0.154 (180deg=-2.05!) USER MOD Single : A 84 GLN : amide:sc=-0.000943 X(o=-0.00094,f=0) USER MOD Single : A 85 THR OG1 : rot -179:sc= -0.0897 USER MOD ----------------------------------------------------------------- ATOM 178 N TYR A 12 -14.429 -9.435 -7.251 1.00 0.00 N ATOM 179 CA TYR A 12 -13.414 -9.104 -8.244 1.00 0.00 C ATOM 180 C TYR A 12 -12.031 -9.502 -7.742 1.00 0.00 C ATOM 181 O TYR A 12 -11.340 -8.710 -7.105 1.00 0.00 O ATOM 182 CB TYR A 12 -13.438 -7.607 -8.577 1.00 0.00 C ATOM 183 CG TYR A 12 -13.876 -6.718 -7.432 1.00 0.00 C ATOM 184 CD1 TYR A 12 -13.033 -6.467 -6.354 1.00 0.00 C ATOM 185 CD2 TYR A 12 -15.131 -6.121 -7.433 1.00 0.00 C ATOM 186 CE1 TYR A 12 -13.428 -5.649 -5.313 1.00 0.00 C ATOM 187 CE2 TYR A 12 -15.533 -5.301 -6.395 1.00 0.00 C ATOM 188 CZ TYR A 12 -14.679 -5.069 -5.337 1.00 0.00 C ATOM 189 OH TYR A 12 -15.072 -4.252 -4.301 1.00 0.00 O ATOM 0 HA TYR A 12 -13.638 -9.663 -9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -12.441 -7.302 -8.897 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -14.107 -7.446 -9.422 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -12.053 -6.920 -6.331 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -15.804 -6.301 -8.259 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.760 -5.465 -4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -16.511 -4.844 -6.412 1.00 0.00 H new ATOM 0 HH TYR A 12 -15.979 -3.922 -4.470 1.00 0.00 H new ATOM 199 N PRO A 13 -11.607 -10.743 -8.022 1.00 0.00 N ATOM 200 CA PRO A 13 -10.308 -11.235 -7.589 1.00 0.00 C ATOM 201 C PRO A 13 -9.194 -10.842 -8.553 1.00 0.00 C ATOM 202 O PRO A 13 -8.626 -11.689 -9.245 1.00 0.00 O ATOM 203 CB PRO A 13 -10.512 -12.745 -7.576 1.00 0.00 C ATOM 204 CG PRO A 13 -11.477 -12.994 -8.687 1.00 0.00 C ATOM 205 CD PRO A 13 -12.358 -11.769 -8.772 1.00 0.00 C ATOM 0 HA PRO A 13 -9.999 -10.823 -6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.573 -13.275 -7.738 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.909 -13.085 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -10.952 -13.160 -9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.071 -13.887 -8.492 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -12.525 -11.467 -9.806 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -13.338 -11.950 -8.331 1.00 0.00 H new ATOM 213 N CYS A 14 -8.890 -9.551 -8.598 1.00 0.00 N ATOM 214 CA CYS A 14 -7.851 -9.040 -9.482 1.00 0.00 C ATOM 215 C CYS A 14 -6.997 -7.989 -8.774 1.00 0.00 C ATOM 216 O CYS A 14 -7.342 -7.525 -7.688 1.00 0.00 O ATOM 217 CB CYS A 14 -8.480 -8.447 -10.743 1.00 0.00 C ATOM 218 SG CYS A 14 -9.404 -6.914 -10.466 1.00 0.00 S ATOM 0 H CYS A 14 -9.349 -8.838 -8.031 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.203 -9.870 -9.763 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.693 -8.256 -11.472 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.149 -9.186 -11.183 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.894 -6.493 -11.594 1.00 0.00 H new ATOM 224 N LEU A 15 -5.886 -7.617 -9.401 1.00 0.00 N ATOM 225 CA LEU A 15 -4.986 -6.620 -8.833 1.00 0.00 C ATOM 226 C LEU A 15 -5.525 -5.211 -9.065 1.00 0.00 C ATOM 227 O LEU A 15 -5.686 -4.777 -10.206 1.00 0.00 O ATOM 228 CB LEU A 15 -3.590 -6.752 -9.446 1.00 0.00 C ATOM 229 CG LEU A 15 -2.580 -7.526 -8.597 1.00 0.00 C ATOM 230 CD1 LEU A 15 -2.202 -6.728 -7.359 1.00 0.00 C ATOM 231 CD2 LEU A 15 -3.139 -8.886 -8.207 1.00 0.00 C ATOM 0 H LEU A 15 -5.587 -7.991 -10.302 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.920 -6.795 -7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.680 -7.244 -10.414 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.196 -5.753 -9.632 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.681 -7.684 -9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.483 -7.294 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.758 -5.779 -7.659 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.094 -6.538 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.406 -9.421 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.055 -8.751 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.358 -9.461 -9.107 1.00 0.00 H new ATOM 243 N TRP A 16 -5.804 -4.503 -7.976 1.00 0.00 N ATOM 244 CA TRP A 16 -6.327 -3.144 -8.062 1.00 0.00 C ATOM 245 C TRP A 16 -5.372 -2.150 -7.411 1.00 0.00 C ATOM 246 O TRP A 16 -4.833 -2.404 -6.335 1.00 0.00 O ATOM 247 CB TRP A 16 -7.700 -3.064 -7.390 1.00 0.00 C ATOM 248 CG TRP A 16 -8.404 -1.762 -7.626 1.00 0.00 C ATOM 249 CD1 TRP A 16 -8.568 -0.747 -6.729 1.00 0.00 C ATOM 250 CD2 TRP A 16 -9.037 -1.336 -8.837 1.00 0.00 C ATOM 251 NE1 TRP A 16 -9.266 0.286 -7.307 1.00 0.00 N ATOM 252 CE2 TRP A 16 -9.566 -0.052 -8.602 1.00 0.00 C ATOM 253 CE3 TRP A 16 -9.210 -1.914 -10.098 1.00 0.00 C ATOM 254 CZ2 TRP A 16 -10.254 0.661 -9.580 1.00 0.00 C ATOM 255 CZ3 TRP A 16 -9.893 -1.205 -11.068 1.00 0.00 C ATOM 256 CH2 TRP A 16 -10.408 0.070 -10.804 1.00 0.00 C ATOM 0 H TRP A 16 -5.677 -4.847 -7.024 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.427 -2.885 -9.116 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.324 -3.878 -7.758 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -7.580 -3.214 -6.317 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.202 -0.754 -5.713 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.520 1.161 -6.848 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -8.817 -2.897 -10.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.652 1.645 -9.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -10.032 -1.642 -12.046 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.938 0.598 -11.583 1.00 0.00 H new ATOM 267 N ASP A 17 -5.170 -1.014 -8.073 1.00 0.00 N ATOM 268 CA ASP A 17 -4.281 0.022 -7.559 1.00 0.00 C ATOM 269 C ASP A 17 -5.060 1.034 -6.725 1.00 0.00 C ATOM 270 O ASP A 17 -6.250 1.255 -6.952 1.00 0.00 O ATOM 271 CB ASP A 17 -3.570 0.733 -8.712 1.00 0.00 C ATOM 272 CG ASP A 17 -2.949 -0.239 -9.695 1.00 0.00 C ATOM 273 OD1 ASP A 17 -2.337 -1.230 -9.244 1.00 0.00 O ATOM 274 OD2 ASP A 17 -3.074 -0.009 -10.917 1.00 0.00 O ATOM 0 H ASP A 17 -5.610 -0.788 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.535 -0.454 -6.922 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -4.282 1.371 -9.236 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.794 1.385 -8.310 1.00 0.00 H new ATOM 279 N TYR A 18 -4.384 1.644 -5.756 1.00 0.00 N ATOM 280 CA TYR A 18 -5.020 2.630 -4.889 1.00 0.00 C ATOM 281 C TYR A 18 -4.216 3.924 -4.849 1.00 0.00 C ATOM 282 O TYR A 18 -3.146 3.985 -4.242 1.00 0.00 O ATOM 283 CB TYR A 18 -5.175 2.070 -3.474 1.00 0.00 C ATOM 284 CG TYR A 18 -6.134 0.904 -3.383 1.00 0.00 C ATOM 285 CD1 TYR A 18 -7.509 1.103 -3.444 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.664 -0.395 -3.236 1.00 0.00 C ATOM 287 CE1 TYR A 18 -8.388 0.041 -3.360 1.00 0.00 C ATOM 288 CE2 TYR A 18 -6.538 -1.462 -3.151 1.00 0.00 C ATOM 289 CZ TYR A 18 -7.897 -1.240 -3.214 1.00 0.00 C ATOM 290 OH TYR A 18 -8.769 -2.301 -3.131 1.00 0.00 O ATOM 0 H TYR A 18 -3.399 1.474 -5.552 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.006 2.851 -5.297 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.198 1.755 -3.109 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.521 2.866 -2.814 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -7.896 2.105 -3.559 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.600 -0.574 -3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -9.453 0.212 -3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -6.158 -2.466 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.310 -2.344 -3.947 1.00 0.00 H new ATOM 300 N ARG A 19 -4.740 4.961 -5.497 1.00 0.00 N ATOM 301 CA ARG A 19 -4.073 6.256 -5.531 1.00 0.00 C ATOM 302 C ARG A 19 -4.269 6.993 -4.209 1.00 0.00 C ATOM 303 O ARG A 19 -5.321 7.587 -3.968 1.00 0.00 O ATOM 304 CB ARG A 19 -4.606 7.100 -6.691 1.00 0.00 C ATOM 305 CG ARG A 19 -3.543 7.462 -7.717 1.00 0.00 C ATOM 306 CD ARG A 19 -3.042 8.884 -7.521 1.00 0.00 C ATOM 307 NE ARG A 19 -4.116 9.866 -7.662 1.00 0.00 N ATOM 308 CZ ARG A 19 -3.910 11.175 -7.790 1.00 0.00 C ATOM 309 NH1 ARG A 19 -2.676 11.663 -7.795 1.00 0.00 N ATOM 310 NH2 ARG A 19 -4.942 11.998 -7.915 1.00 0.00 N ATOM 0 H ARG A 19 -5.624 4.928 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.006 6.090 -5.681 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.408 6.555 -7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.042 8.016 -6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.707 6.766 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.953 7.355 -8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.593 8.977 -6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.259 9.096 -8.249 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.079 9.529 -7.662 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.879 11.034 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.525 12.667 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.893 11.628 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.785 13.001 -8.013 1.00 0.00 H new ATOM 324 N VAL A 20 -3.255 6.943 -3.354 1.00 0.00 N ATOM 325 CA VAL A 20 -3.320 7.599 -2.053 1.00 0.00 C ATOM 326 C VAL A 20 -2.319 8.744 -1.955 1.00 0.00 C ATOM 327 O VAL A 20 -1.119 8.551 -2.154 1.00 0.00 O ATOM 328 CB VAL A 20 -3.047 6.603 -0.910 1.00 0.00 C ATOM 329 CG1 VAL A 20 -3.313 7.251 0.439 1.00 0.00 C ATOM 330 CG2 VAL A 20 -3.886 5.344 -1.081 1.00 0.00 C ATOM 0 H VAL A 20 -2.378 6.455 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.330 7.996 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.996 6.317 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.115 6.532 1.234 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.662 8.116 0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.354 7.570 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.678 4.654 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.944 5.608 -1.073 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.638 4.868 -2.030 1.00 0.00 H new ATOM 340 N ILE A 21 -2.817 9.935 -1.638 1.00 0.00 N ATOM 341 CA ILE A 21 -1.963 11.110 -1.505 1.00 0.00 C ATOM 342 C ILE A 21 -1.898 11.567 -0.053 1.00 0.00 C ATOM 343 O ILE A 21 -2.929 11.751 0.595 1.00 0.00 O ATOM 344 CB ILE A 21 -2.458 12.289 -2.369 1.00 0.00 C ATOM 345 CG1 ILE A 21 -3.103 11.801 -3.673 1.00 0.00 C ATOM 346 CG2 ILE A 21 -1.308 13.239 -2.668 1.00 0.00 C ATOM 347 CD1 ILE A 21 -2.281 10.779 -4.430 1.00 0.00 C ATOM 0 H ILE A 21 -3.807 10.112 -1.469 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.973 10.814 -1.851 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.222 12.822 -1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.077 11.369 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.280 12.660 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.669 14.067 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.904 13.627 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.526 12.705 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.809 10.488 -5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.316 11.212 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.125 9.901 -3.803 1.00 0.00 H new ATOM 359 N MET A 22 -0.684 11.751 0.457 1.00 0.00 N ATOM 360 CA MET A 22 -0.497 12.186 1.832 1.00 0.00 C ATOM 361 C MET A 22 0.048 13.606 1.877 1.00 0.00 C ATOM 362 O MET A 22 0.920 13.973 1.090 1.00 0.00 O ATOM 363 CB MET A 22 0.451 11.241 2.574 1.00 0.00 C ATOM 364 CG MET A 22 0.409 9.804 2.073 1.00 0.00 C ATOM 365 SD MET A 22 1.262 8.659 3.172 1.00 0.00 S ATOM 366 CE MET A 22 2.772 8.369 2.254 1.00 0.00 C ATOM 0 H MET A 22 0.182 11.605 -0.062 1.00 0.00 H new ATOM 0 HA MET A 22 -1.469 12.167 2.325 1.00 0.00 H new ATOM 0 HB2 MET A 22 1.470 11.618 2.481 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.202 11.253 3.635 1.00 0.00 H new ATOM 0 HG2 MET A 22 -0.630 9.492 1.965 1.00 0.00 H new ATOM 0 HG3 MET A 22 0.861 9.756 1.082 1.00 0.00 H new ATOM 0 HE1 MET A 22 3.593 8.193 2.950 1.00 0.00 H new ATOM 0 HE2 MET A 22 2.646 7.496 1.613 1.00 0.00 H new ATOM 0 HE3 MET A 22 2.998 9.241 1.640 1.00 0.00 H new ATOM 376 N THR A 23 -0.473 14.399 2.802 1.00 0.00 N ATOM 377 CA THR A 23 -0.041 15.784 2.950 1.00 0.00 C ATOM 378 C THR A 23 0.573 16.010 4.328 1.00 0.00 C ATOM 379 O THR A 23 -0.001 16.697 5.173 1.00 0.00 O ATOM 380 CB THR A 23 -1.222 16.737 2.732 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.048 16.799 3.885 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.101 16.345 1.563 1.00 0.00 C ATOM 0 H THR A 23 -1.195 14.109 3.462 1.00 0.00 H new ATOM 0 HA THR A 23 0.718 15.990 2.196 1.00 0.00 H new ATOM 0 HB THR A 23 -0.768 17.705 2.521 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.536 17.168 4.635 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.917 17.061 1.465 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.509 16.342 0.648 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.511 15.349 1.734 1.00 0.00 H new ATOM 390 N THR A 24 1.747 15.429 4.545 1.00 0.00 N ATOM 391 CA THR A 24 2.440 15.567 5.820 1.00 0.00 C ATOM 392 C THR A 24 3.950 15.633 5.621 1.00 0.00 C ATOM 393 O THR A 24 4.479 15.114 4.638 1.00 0.00 O ATOM 394 CB THR A 24 2.085 14.400 6.745 1.00 0.00 C ATOM 395 OG1 THR A 24 0.883 13.778 6.331 1.00 0.00 O ATOM 396 CG2 THR A 24 1.915 14.814 8.192 1.00 0.00 C ATOM 0 H THR A 24 2.238 14.859 3.856 1.00 0.00 H new ATOM 0 HA THR A 24 2.115 16.500 6.280 1.00 0.00 H new ATOM 0 HB THR A 24 2.927 13.712 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.121 14.218 6.763 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.664 13.940 8.793 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.844 15.251 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.114 15.549 8.268 1.00 0.00 H new ATOM 404 N LYS A 25 4.637 16.272 6.562 1.00 0.00 N ATOM 405 CA LYS A 25 6.086 16.405 6.494 1.00 0.00 C ATOM 406 C LYS A 25 6.771 15.367 7.380 1.00 0.00 C ATOM 407 O LYS A 25 7.876 15.593 7.876 1.00 0.00 O ATOM 408 CB LYS A 25 6.510 17.812 6.916 1.00 0.00 C ATOM 409 CG LYS A 25 6.059 18.187 8.319 1.00 0.00 C ATOM 410 CD LYS A 25 6.738 19.460 8.802 1.00 0.00 C ATOM 411 CE LYS A 25 7.205 19.331 10.243 1.00 0.00 C ATOM 412 NZ LYS A 25 8.409 20.164 10.514 1.00 0.00 N ATOM 0 H LYS A 25 4.212 16.706 7.381 1.00 0.00 H new ATOM 0 HA LYS A 25 6.393 16.235 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.596 17.888 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.103 18.533 6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.978 18.324 8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.284 17.371 9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.591 19.684 8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.046 20.298 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.399 19.629 10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.430 18.287 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.695 20.048 11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.186 19.863 9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.187 21.164 10.332 1.00 0.00 H new ATOM 426 N ASP A 26 6.109 14.232 7.574 1.00 0.00 N ATOM 427 CA ASP A 26 6.655 13.161 8.400 1.00 0.00 C ATOM 428 C ASP A 26 6.275 11.796 7.836 1.00 0.00 C ATOM 429 O ASP A 26 5.952 10.872 8.583 1.00 0.00 O ATOM 430 CB ASP A 26 6.149 13.291 9.838 1.00 0.00 C ATOM 431 CG ASP A 26 6.943 12.440 10.810 1.00 0.00 C ATOM 432 OD1 ASP A 26 8.001 12.908 11.283 1.00 0.00 O ATOM 433 OD2 ASP A 26 6.510 11.305 11.097 1.00 0.00 O ATOM 0 H ASP A 26 5.194 14.030 7.171 1.00 0.00 H new ATOM 0 HA ASP A 26 7.742 13.247 8.396 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.203 14.335 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.099 13.000 9.878 1.00 0.00 H new ATOM 438 N THR A 27 6.315 11.677 6.512 1.00 0.00 N ATOM 439 CA THR A 27 5.975 10.424 5.847 1.00 0.00 C ATOM 440 C THR A 27 7.112 9.407 5.951 1.00 0.00 C ATOM 441 O THR A 27 6.969 8.263 5.523 1.00 0.00 O ATOM 442 CB THR A 27 5.640 10.679 4.377 1.00 0.00 C ATOM 443 OG1 THR A 27 6.818 10.923 3.629 1.00 0.00 O ATOM 444 CG2 THR A 27 4.712 11.855 4.169 1.00 0.00 C ATOM 0 H THR A 27 6.579 12.432 5.879 1.00 0.00 H new ATOM 0 HA THR A 27 5.102 10.009 6.351 1.00 0.00 H new ATOM 0 HB THR A 27 5.135 9.775 4.036 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.583 11.082 2.691 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.516 11.980 3.104 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.773 11.675 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.178 12.760 4.560 1.00 0.00 H new ATOM 452 N SER A 28 8.242 9.827 6.520 1.00 0.00 N ATOM 453 CA SER A 28 9.395 8.944 6.672 1.00 0.00 C ATOM 454 C SER A 28 8.992 7.625 7.327 1.00 0.00 C ATOM 455 O SER A 28 9.630 6.594 7.114 1.00 0.00 O ATOM 456 CB SER A 28 10.483 9.628 7.502 1.00 0.00 C ATOM 457 OG SER A 28 11.425 10.283 6.670 1.00 0.00 O ATOM 0 H SER A 28 8.382 10.770 6.882 1.00 0.00 H new ATOM 0 HA SER A 28 9.787 8.729 5.678 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.027 10.350 8.179 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.992 8.888 8.120 1.00 0.00 H new ATOM 0 HG SER A 28 12.108 10.713 7.225 1.00 0.00 H new ATOM 463 N THR A 29 7.927 7.663 8.121 1.00 0.00 N ATOM 464 CA THR A 29 7.437 6.468 8.796 1.00 0.00 C ATOM 465 C THR A 29 6.666 5.583 7.823 1.00 0.00 C ATOM 466 O THR A 29 6.607 4.364 7.987 1.00 0.00 O ATOM 467 CB THR A 29 6.543 6.854 9.975 1.00 0.00 C ATOM 468 OG1 THR A 29 6.023 5.698 10.610 1.00 0.00 O ATOM 469 CG2 THR A 29 5.370 7.725 9.578 1.00 0.00 C ATOM 0 H THR A 29 7.388 8.507 8.312 1.00 0.00 H new ATOM 0 HA THR A 29 8.294 5.909 9.171 1.00 0.00 H new ATOM 0 HB THR A 29 7.185 7.421 10.649 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.455 5.966 11.362 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.777 7.962 10.462 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.738 8.648 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 29 4.750 7.193 8.857 1.00 0.00 H new ATOM 477 N LEU A 30 6.076 6.207 6.806 1.00 0.00 N ATOM 478 CA LEU A 30 5.310 5.482 5.802 1.00 0.00 C ATOM 479 C LEU A 30 6.228 4.918 4.721 1.00 0.00 C ATOM 480 O LEU A 30 6.125 3.748 4.355 1.00 0.00 O ATOM 481 CB LEU A 30 4.261 6.402 5.171 1.00 0.00 C ATOM 482 CG LEU A 30 2.820 6.146 5.625 1.00 0.00 C ATOM 483 CD1 LEU A 30 2.149 7.448 6.036 1.00 0.00 C ATOM 484 CD2 LEU A 30 2.026 5.462 4.523 1.00 0.00 C ATOM 0 H LEU A 30 6.115 7.215 6.658 1.00 0.00 H new ATOM 0 HA LEU A 30 4.805 4.650 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.520 7.435 5.401 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.309 6.294 4.087 1.00 0.00 H new ATOM 0 HG LEU A 30 2.846 5.485 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.127 7.245 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.703 7.899 6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.136 8.134 5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.005 5.288 4.864 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.010 6.098 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.493 4.509 4.276 1.00 0.00 H new ATOM 496 N LYS A 31 7.123 5.760 4.209 1.00 0.00 N ATOM 497 CA LYS A 31 8.055 5.342 3.167 1.00 0.00 C ATOM 498 C LYS A 31 8.811 4.081 3.579 1.00 0.00 C ATOM 499 O LYS A 31 9.234 3.295 2.730 1.00 0.00 O ATOM 500 CB LYS A 31 9.044 6.467 2.850 1.00 0.00 C ATOM 501 CG LYS A 31 10.007 6.775 3.983 1.00 0.00 C ATOM 502 CD LYS A 31 11.327 6.040 3.810 1.00 0.00 C ATOM 503 CE LYS A 31 12.198 6.161 5.048 1.00 0.00 C ATOM 504 NZ LYS A 31 13.535 5.533 4.852 1.00 0.00 N ATOM 0 H LYS A 31 7.222 6.733 4.498 1.00 0.00 H new ATOM 0 HA LYS A 31 7.476 5.117 2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.616 6.195 1.963 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.486 7.370 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.190 7.849 4.024 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.554 6.492 4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.134 4.988 3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.859 6.444 2.949 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.325 7.214 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.696 5.689 5.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.098 5.637 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.416 4.523 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.026 6.000 4.063 1.00 0.00 H new ATOM 518 N GLU A 32 8.974 3.893 4.884 1.00 0.00 N ATOM 519 CA GLU A 32 9.675 2.725 5.404 1.00 0.00 C ATOM 520 C GLU A 32 8.708 1.569 5.629 1.00 0.00 C ATOM 521 O GLU A 32 9.071 0.402 5.475 1.00 0.00 O ATOM 522 CB GLU A 32 10.389 3.072 6.712 1.00 0.00 C ATOM 523 CG GLU A 32 9.444 3.458 7.838 1.00 0.00 C ATOM 524 CD GLU A 32 10.159 3.638 9.163 1.00 0.00 C ATOM 525 OE1 GLU A 32 11.199 4.329 9.188 1.00 0.00 O ATOM 526 OE2 GLU A 32 9.678 3.089 10.176 1.00 0.00 O ATOM 0 H GLU A 32 8.631 4.533 5.600 1.00 0.00 H new ATOM 0 HA GLU A 32 10.416 2.417 4.666 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.987 2.217 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.081 3.895 6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.932 4.384 7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.678 2.690 7.944 1.00 0.00 H new ATOM 533 N LEU A 33 7.475 1.901 5.992 1.00 0.00 N ATOM 534 CA LEU A 33 6.450 0.894 6.237 1.00 0.00 C ATOM 535 C LEU A 33 5.881 0.363 4.924 1.00 0.00 C ATOM 536 O LEU A 33 5.437 -0.781 4.847 1.00 0.00 O ATOM 537 CB LEU A 33 5.328 1.480 7.099 1.00 0.00 C ATOM 538 CG LEU A 33 5.312 1.003 8.551 1.00 0.00 C ATOM 539 CD1 LEU A 33 6.601 1.395 9.257 1.00 0.00 C ATOM 540 CD2 LEU A 33 4.107 1.569 9.285 1.00 0.00 C ATOM 0 H LEU A 33 7.160 2.862 6.123 1.00 0.00 H new ATOM 0 HA LEU A 33 6.911 0.063 6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.414 2.567 7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.371 1.232 6.640 1.00 0.00 H new ATOM 0 HG LEU A 33 5.237 -0.084 8.554 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.571 1.047 10.289 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.449 0.940 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.708 2.480 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.112 1.219 10.317 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.151 2.658 9.271 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.193 1.237 8.794 1.00 0.00 H new ATOM 552 N LEU A 34 5.900 1.203 3.893 1.00 0.00 N ATOM 553 CA LEU A 34 5.386 0.816 2.584 1.00 0.00 C ATOM 554 C LEU A 34 6.453 0.080 1.778 1.00 0.00 C ATOM 555 O LEU A 34 6.138 -0.748 0.924 1.00 0.00 O ATOM 556 CB LEU A 34 4.909 2.051 1.814 1.00 0.00 C ATOM 557 CG LEU A 34 3.845 2.887 2.525 1.00 0.00 C ATOM 558 CD1 LEU A 34 3.657 4.222 1.823 1.00 0.00 C ATOM 559 CD2 LEU A 34 2.528 2.127 2.592 1.00 0.00 C ATOM 0 H LEU A 34 6.265 2.154 3.939 1.00 0.00 H new ATOM 0 HA LEU A 34 4.542 0.143 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.770 2.686 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.512 1.729 0.851 1.00 0.00 H new ATOM 0 HG LEU A 34 4.183 3.081 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.896 4.803 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.599 4.771 1.827 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.342 4.051 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.782 2.737 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.186 1.903 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.672 1.196 3.141 1.00 0.00 H new ATOM 571 N GLU A 35 7.716 0.391 2.053 1.00 0.00 N ATOM 572 CA GLU A 35 8.829 -0.238 1.353 1.00 0.00 C ATOM 573 C GLU A 35 9.262 -1.531 2.044 1.00 0.00 C ATOM 574 O GLU A 35 9.934 -2.368 1.443 1.00 0.00 O ATOM 575 CB GLU A 35 10.015 0.725 1.266 1.00 0.00 C ATOM 576 CG GLU A 35 9.891 1.742 0.142 1.00 0.00 C ATOM 577 CD GLU A 35 10.815 1.439 -1.021 1.00 0.00 C ATOM 578 OE1 GLU A 35 11.132 0.250 -1.234 1.00 0.00 O ATOM 579 OE2 GLU A 35 11.220 2.391 -1.721 1.00 0.00 O ATOM 0 H GLU A 35 7.994 1.076 2.756 1.00 0.00 H new ATOM 0 HA GLU A 35 8.490 -0.485 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.114 1.254 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.930 0.150 1.125 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.861 1.762 -0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.114 2.736 0.530 1.00 0.00 H new ATOM 586 N THR A 36 8.873 -1.689 3.307 1.00 0.00 N ATOM 587 CA THR A 36 9.227 -2.881 4.074 1.00 0.00 C ATOM 588 C THR A 36 8.858 -4.153 3.312 1.00 0.00 C ATOM 589 O THR A 36 9.512 -5.187 3.457 1.00 0.00 O ATOM 590 CB THR A 36 8.525 -2.866 5.433 1.00 0.00 C ATOM 591 OG1 THR A 36 8.966 -3.943 6.238 1.00 0.00 O ATOM 592 CG2 THR A 36 7.017 -2.957 5.331 1.00 0.00 C ATOM 0 H THR A 36 8.314 -1.008 3.820 1.00 0.00 H new ATOM 0 HA THR A 36 10.306 -2.873 4.229 1.00 0.00 H new ATOM 0 HB THR A 36 8.785 -1.906 5.880 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.506 -3.914 7.103 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.583 -2.941 6.331 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.639 -2.110 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.742 -3.885 4.831 1.00 0.00 H new ATOM 600 N TYR A 37 7.810 -4.068 2.500 1.00 0.00 N ATOM 601 CA TYR A 37 7.356 -5.211 1.714 1.00 0.00 C ATOM 602 C TYR A 37 6.914 -6.358 2.619 1.00 0.00 C ATOM 603 O TYR A 37 7.212 -7.522 2.354 1.00 0.00 O ATOM 604 CB TYR A 37 8.470 -5.682 0.775 1.00 0.00 C ATOM 605 CG TYR A 37 8.013 -5.891 -0.652 1.00 0.00 C ATOM 606 CD1 TYR A 37 7.242 -4.935 -1.301 1.00 0.00 C ATOM 607 CD2 TYR A 37 8.354 -7.044 -1.346 1.00 0.00 C ATOM 608 CE1 TYR A 37 6.822 -5.124 -2.605 1.00 0.00 C ATOM 609 CE2 TYR A 37 7.939 -7.239 -2.651 1.00 0.00 C ATOM 610 CZ TYR A 37 7.173 -6.277 -3.275 1.00 0.00 C ATOM 611 OH TYR A 37 6.757 -6.468 -4.573 1.00 0.00 O ATOM 0 H TYR A 37 7.259 -3.220 2.368 1.00 0.00 H new ATOM 0 HA TYR A 37 6.498 -4.895 1.121 1.00 0.00 H new ATOM 0 HB2 TYR A 37 9.276 -4.949 0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.883 -6.616 1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.966 -4.030 -0.779 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.952 -7.800 -0.860 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.222 -4.372 -3.096 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.214 -8.140 -3.179 1.00 0.00 H new ATOM 0 HH TYR A 37 7.090 -7.330 -4.900 1.00 0.00 H new ATOM 621 N GLN A 38 6.198 -6.021 3.688 1.00 0.00 N ATOM 622 CA GLN A 38 5.713 -7.025 4.629 1.00 0.00 C ATOM 623 C GLN A 38 4.810 -8.032 3.926 1.00 0.00 C ATOM 624 O GLN A 38 4.989 -9.242 4.058 1.00 0.00 O ATOM 625 CB GLN A 38 4.954 -6.354 5.776 1.00 0.00 C ATOM 626 CG GLN A 38 5.822 -6.056 6.987 1.00 0.00 C ATOM 627 CD GLN A 38 5.918 -7.231 7.939 1.00 0.00 C ATOM 628 OE1 GLN A 38 4.930 -7.624 8.561 1.00 0.00 O ATOM 629 NE2 GLN A 38 7.111 -7.801 8.059 1.00 0.00 N ATOM 0 H GLN A 38 5.941 -5.062 3.924 1.00 0.00 H new ATOM 0 HA GLN A 38 6.574 -7.556 5.035 1.00 0.00 H new ATOM 0 HB2 GLN A 38 4.516 -5.423 5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.129 -6.998 6.080 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.823 -5.781 6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.415 -5.195 7.518 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.903 -7.444 7.525 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.235 -8.596 8.685 1.00 0.00 H new ATOM 638 N ARG A 39 3.839 -7.523 3.175 1.00 0.00 N ATOM 639 CA ARG A 39 2.907 -8.373 2.443 1.00 0.00 C ATOM 640 C ARG A 39 3.118 -8.233 0.937 1.00 0.00 C ATOM 641 O ARG A 39 3.868 -7.367 0.486 1.00 0.00 O ATOM 642 CB ARG A 39 1.460 -8.022 2.808 1.00 0.00 C ATOM 643 CG ARG A 39 1.219 -6.533 3.010 1.00 0.00 C ATOM 644 CD ARG A 39 -0.142 -6.111 2.478 1.00 0.00 C ATOM 645 NE ARG A 39 -0.877 -5.292 3.439 1.00 0.00 N ATOM 646 CZ ARG A 39 -0.561 -4.034 3.735 1.00 0.00 C ATOM 647 NH1 ARG A 39 0.479 -3.450 3.153 1.00 0.00 N ATOM 648 NH2 ARG A 39 -1.286 -3.359 4.616 1.00 0.00 N ATOM 0 H ARG A 39 3.677 -6.523 3.057 1.00 0.00 H new ATOM 0 HA ARG A 39 3.098 -9.408 2.725 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.799 -8.384 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.187 -8.551 3.721 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.286 -6.293 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.000 -5.965 2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.011 -5.552 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.727 -6.998 2.236 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.679 -5.709 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.040 -3.966 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.717 -2.485 3.383 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.086 -3.804 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.044 -2.395 4.843 1.00 0.00 H new ATOM 662 N PRO A 40 2.469 -9.093 0.134 1.00 0.00 N ATOM 663 CA PRO A 40 2.598 -9.065 -1.327 1.00 0.00 C ATOM 664 C PRO A 40 1.908 -7.853 -1.953 1.00 0.00 C ATOM 665 O PRO A 40 1.000 -7.997 -2.771 1.00 0.00 O ATOM 666 CB PRO A 40 1.913 -10.367 -1.783 1.00 0.00 C ATOM 667 CG PRO A 40 1.690 -11.165 -0.539 1.00 0.00 C ATOM 668 CD PRO A 40 1.573 -10.168 0.576 1.00 0.00 C ATOM 0 HA PRO A 40 3.641 -8.989 -1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.970 -10.157 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.539 -10.911 -2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.786 -11.768 -0.619 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.517 -11.852 -0.363 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.549 -9.817 0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.885 -10.589 1.532 1.00 0.00 H new ATOM 676 N PHE A 41 2.349 -6.655 -1.572 1.00 0.00 N ATOM 677 CA PHE A 41 1.771 -5.426 -2.110 1.00 0.00 C ATOM 678 C PHE A 41 2.858 -4.520 -2.684 1.00 0.00 C ATOM 679 O PHE A 41 3.954 -4.420 -2.135 1.00 0.00 O ATOM 680 CB PHE A 41 0.966 -4.687 -1.030 1.00 0.00 C ATOM 681 CG PHE A 41 1.798 -3.850 -0.095 1.00 0.00 C ATOM 682 CD1 PHE A 41 2.738 -4.438 0.734 1.00 0.00 C ATOM 683 CD2 PHE A 41 1.632 -2.474 -0.044 1.00 0.00 C ATOM 684 CE1 PHE A 41 3.497 -3.672 1.598 1.00 0.00 C ATOM 685 CE2 PHE A 41 2.390 -1.703 0.817 1.00 0.00 C ATOM 686 CZ PHE A 41 3.324 -2.303 1.639 1.00 0.00 C ATOM 0 H PHE A 41 3.100 -6.510 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 41 1.092 -5.697 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.232 -4.045 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.410 -5.419 -0.445 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.880 -5.508 0.705 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.903 -2.000 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.225 -4.144 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.252 -0.632 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.918 -1.702 2.312 1.00 0.00 H new ATOM 696 N LYS A 42 2.542 -3.868 -3.798 1.00 0.00 N ATOM 697 CA LYS A 42 3.483 -2.976 -4.460 1.00 0.00 C ATOM 698 C LYS A 42 2.965 -1.540 -4.445 1.00 0.00 C ATOM 699 O LYS A 42 1.765 -1.305 -4.313 1.00 0.00 O ATOM 700 CB LYS A 42 3.714 -3.450 -5.900 1.00 0.00 C ATOM 701 CG LYS A 42 4.423 -2.441 -6.787 1.00 0.00 C ATOM 702 CD LYS A 42 5.881 -2.278 -6.392 1.00 0.00 C ATOM 703 CE LYS A 42 6.794 -3.113 -7.275 1.00 0.00 C ATOM 704 NZ LYS A 42 8.107 -2.449 -7.500 1.00 0.00 N ATOM 0 H LYS A 42 1.637 -3.942 -4.262 1.00 0.00 H new ATOM 0 HA LYS A 42 4.431 -2.997 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.299 -4.370 -5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.751 -3.695 -6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.361 -2.762 -7.827 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.917 -1.478 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.164 -1.228 -6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.012 -2.572 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.954 -4.087 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.308 -3.291 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.701 -3.050 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.957 -1.530 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.583 -2.302 -6.587 1.00 0.00 H new ATOM 718 N LEU A 43 3.877 -0.582 -4.581 1.00 0.00 N ATOM 719 CA LEU A 43 3.507 0.829 -4.586 1.00 0.00 C ATOM 720 C LEU A 43 4.123 1.548 -5.780 1.00 0.00 C ATOM 721 O LEU A 43 5.331 1.477 -6.004 1.00 0.00 O ATOM 722 CB LEU A 43 3.953 1.502 -3.287 1.00 0.00 C ATOM 723 CG LEU A 43 2.896 1.542 -2.180 1.00 0.00 C ATOM 724 CD1 LEU A 43 3.229 0.538 -1.088 1.00 0.00 C ATOM 725 CD2 LEU A 43 2.778 2.943 -1.600 1.00 0.00 C ATOM 0 H LEU A 43 4.876 -0.757 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 43 2.422 0.892 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.833 0.981 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 43 4.260 2.523 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 43 1.934 1.271 -2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.467 0.581 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.258 -0.465 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.201 0.778 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.022 2.949 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.738 3.246 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.490 3.640 -2.387 1.00 0.00 H new ATOM 737 N GLU A 44 3.285 2.242 -6.543 1.00 0.00 N ATOM 738 CA GLU A 44 3.750 2.978 -7.711 1.00 0.00 C ATOM 739 C GLU A 44 3.939 4.452 -7.377 1.00 0.00 C ATOM 740 O GLU A 44 3.008 5.250 -7.495 1.00 0.00 O ATOM 741 CB GLU A 44 2.762 2.823 -8.869 1.00 0.00 C ATOM 742 CG GLU A 44 3.008 1.584 -9.716 1.00 0.00 C ATOM 743 CD GLU A 44 1.756 0.747 -9.903 1.00 0.00 C ATOM 744 OE1 GLU A 44 1.113 0.406 -8.889 1.00 0.00 O ATOM 745 OE2 GLU A 44 1.421 0.434 -11.065 1.00 0.00 O ATOM 0 H GLU A 44 2.282 2.310 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 44 4.712 2.565 -8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.749 2.784 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.820 3.706 -9.506 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.388 1.885 -10.692 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.781 0.975 -9.247 1.00 0.00 H new ATOM 752 N PHE A 45 5.146 4.807 -6.954 1.00 0.00 N ATOM 753 CA PHE A 45 5.456 6.186 -6.595 1.00 0.00 C ATOM 754 C PHE A 45 5.238 7.116 -7.783 1.00 0.00 C ATOM 755 O PHE A 45 5.986 7.082 -8.760 1.00 0.00 O ATOM 756 CB PHE A 45 6.903 6.300 -6.103 1.00 0.00 C ATOM 757 CG PHE A 45 7.344 5.158 -5.228 1.00 0.00 C ATOM 758 CD1 PHE A 45 6.455 4.545 -4.360 1.00 0.00 C ATOM 759 CD2 PHE A 45 8.651 4.700 -5.275 1.00 0.00 C ATOM 760 CE1 PHE A 45 6.860 3.496 -3.556 1.00 0.00 C ATOM 761 CE2 PHE A 45 9.062 3.650 -4.474 1.00 0.00 C ATOM 762 CZ PHE A 45 8.165 3.048 -3.613 1.00 0.00 C ATOM 0 H PHE A 45 5.927 4.159 -6.851 1.00 0.00 H new ATOM 0 HA PHE A 45 4.784 6.484 -5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.566 6.360 -6.966 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.015 7.232 -5.550 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.433 4.891 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 45 9.357 5.168 -5.945 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.156 3.027 -2.884 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.083 3.301 -4.522 1.00 0.00 H new ATOM 0 HZ PHE A 45 8.484 2.229 -2.986 1.00 0.00 H new ATOM 772 N LYS A 46 4.204 7.947 -7.691 1.00 0.00 N ATOM 773 CA LYS A 46 3.881 8.888 -8.756 1.00 0.00 C ATOM 774 C LYS A 46 4.949 9.971 -8.870 1.00 0.00 C ATOM 775 O LYS A 46 5.268 10.429 -9.967 1.00 0.00 O ATOM 776 CB LYS A 46 2.515 9.529 -8.501 1.00 0.00 C ATOM 777 CG LYS A 46 1.345 8.589 -8.748 1.00 0.00 C ATOM 778 CD LYS A 46 1.227 8.219 -10.218 1.00 0.00 C ATOM 779 CE LYS A 46 0.969 9.444 -11.081 1.00 0.00 C ATOM 780 NZ LYS A 46 0.150 9.115 -12.280 1.00 0.00 N ATOM 0 H LYS A 46 3.576 7.987 -6.889 1.00 0.00 H new ATOM 0 HA LYS A 46 3.848 8.336 -9.695 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.475 9.882 -7.470 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.408 10.404 -9.142 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.472 7.684 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.421 9.062 -8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.143 7.728 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.417 7.502 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.458 10.204 -10.490 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.920 9.872 -11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.004 9.976 -12.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.649 8.409 -12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.768 8.730 -11.978 1.00 0.00 H new ATOM 901 N PHE A 54 1.712 17.559 -0.924 1.00 0.00 N ATOM 902 CA PHE A 54 1.005 16.296 -1.101 1.00 0.00 C ATOM 903 C PHE A 54 1.801 15.352 -1.987 1.00 0.00 C ATOM 904 O PHE A 54 2.024 15.631 -3.165 1.00 0.00 O ATOM 905 CB PHE A 54 -0.383 16.533 -1.701 1.00 0.00 C ATOM 906 CG PHE A 54 -0.409 17.591 -2.770 1.00 0.00 C ATOM 907 CD1 PHE A 54 -0.075 17.281 -4.078 1.00 0.00 C ATOM 908 CD2 PHE A 54 -0.767 18.894 -2.463 1.00 0.00 C ATOM 909 CE1 PHE A 54 -0.097 18.251 -5.061 1.00 0.00 C ATOM 910 CE2 PHE A 54 -0.791 19.869 -3.442 1.00 0.00 C ATOM 911 CZ PHE A 54 -0.457 19.547 -4.743 1.00 0.00 C ATOM 0 HA PHE A 54 0.888 15.836 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.752 15.597 -2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.070 16.818 -0.904 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.206 16.270 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.030 19.150 -1.447 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.167 17.997 -6.077 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.071 20.881 -3.190 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.477 20.307 -5.510 1.00 0.00 H new ATOM 921 N TYR A 55 2.227 14.234 -1.414 1.00 0.00 N ATOM 922 CA TYR A 55 2.998 13.251 -2.158 1.00 0.00 C ATOM 923 C TYR A 55 2.105 12.112 -2.634 1.00 0.00 C ATOM 924 O TYR A 55 1.637 11.299 -1.837 1.00 0.00 O ATOM 925 CB TYR A 55 4.132 12.699 -1.293 1.00 0.00 C ATOM 926 CG TYR A 55 5.099 13.760 -0.816 1.00 0.00 C ATOM 927 CD1 TYR A 55 4.696 14.743 0.080 1.00 0.00 C ATOM 928 CD2 TYR A 55 6.414 13.779 -1.262 1.00 0.00 C ATOM 929 CE1 TYR A 55 5.575 15.713 0.518 1.00 0.00 C ATOM 930 CE2 TYR A 55 7.301 14.745 -0.828 1.00 0.00 C ATOM 931 CZ TYR A 55 6.877 15.711 0.062 1.00 0.00 C ATOM 932 OH TYR A 55 7.756 16.676 0.496 1.00 0.00 O ATOM 0 H TYR A 55 2.052 13.987 -0.440 1.00 0.00 H new ATOM 0 HA TYR A 55 3.426 13.744 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.705 12.193 -0.427 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.680 11.949 -1.862 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.678 14.748 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.749 13.026 -1.960 1.00 0.00 H new ATOM 0 HE1 TYR A 55 5.245 16.470 1.214 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.321 14.744 -1.183 1.00 0.00 H new ATOM 0 HH TYR A 55 8.632 16.531 0.081 1.00 0.00 H new ATOM 942 N SER A 56 1.870 12.066 -3.938 1.00 0.00 N ATOM 943 CA SER A 56 1.028 11.032 -4.532 1.00 0.00 C ATOM 944 C SER A 56 1.728 9.675 -4.536 1.00 0.00 C ATOM 945 O SER A 56 2.887 9.564 -4.934 1.00 0.00 O ATOM 946 CB SER A 56 0.643 11.422 -5.959 1.00 0.00 C ATOM 947 OG SER A 56 0.065 12.715 -5.998 1.00 0.00 O ATOM 0 H SER A 56 2.251 12.734 -4.608 1.00 0.00 H new ATOM 0 HA SER A 56 0.128 10.946 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.526 11.396 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.061 10.694 -6.361 1.00 0.00 H new ATOM 0 HG SER A 56 -0.170 12.940 -6.922 1.00 0.00 H new ATOM 953 N PHE A 57 1.010 8.645 -4.097 1.00 0.00 N ATOM 954 CA PHE A 57 1.551 7.292 -4.054 1.00 0.00 C ATOM 955 C PHE A 57 0.478 6.272 -4.419 1.00 0.00 C ATOM 956 O PHE A 57 -0.688 6.430 -4.056 1.00 0.00 O ATOM 957 CB PHE A 57 2.111 6.984 -2.664 1.00 0.00 C ATOM 958 CG PHE A 57 3.360 7.749 -2.339 1.00 0.00 C ATOM 959 CD1 PHE A 57 4.574 7.391 -2.907 1.00 0.00 C ATOM 960 CD2 PHE A 57 3.323 8.824 -1.466 1.00 0.00 C ATOM 961 CE1 PHE A 57 5.725 8.092 -2.608 1.00 0.00 C ATOM 962 CE2 PHE A 57 4.472 9.528 -1.163 1.00 0.00 C ATOM 963 CZ PHE A 57 5.675 9.162 -1.736 1.00 0.00 C ATOM 0 H PHE A 57 0.049 8.723 -3.765 1.00 0.00 H new ATOM 0 HA PHE A 57 2.359 7.226 -4.783 1.00 0.00 H new ATOM 0 HB2 PHE A 57 1.351 7.210 -1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 57 2.320 5.916 -2.593 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.619 6.556 -3.590 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.385 9.115 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 57 6.665 7.804 -3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 57 4.430 10.363 -0.479 1.00 0.00 H new ATOM 0 HZ PHE A 57 6.575 9.712 -1.502 1.00 0.00 H new ATOM 973 N ASN A 58 0.874 5.226 -5.137 1.00 0.00 N ATOM 974 CA ASN A 58 -0.063 4.185 -5.546 1.00 0.00 C ATOM 975 C ASN A 58 0.162 2.907 -4.746 1.00 0.00 C ATOM 976 O ASN A 58 1.218 2.719 -4.143 1.00 0.00 O ATOM 977 CB ASN A 58 0.080 3.901 -7.043 1.00 0.00 C ATOM 978 CG ASN A 58 -1.142 4.328 -7.833 1.00 0.00 C ATOM 979 OD1 ASN A 58 -1.107 5.314 -8.568 1.00 0.00 O ATOM 980 ND2 ASN A 58 -2.233 3.585 -7.683 1.00 0.00 N ATOM 0 H ASN A 58 1.834 5.077 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.074 4.540 -5.348 1.00 0.00 H new ATOM 0 HB2 ASN A 58 0.957 4.422 -7.426 1.00 0.00 H new ATOM 0 HB3 ASN A 58 0.252 2.835 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.086 3.824 -8.188 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.217 2.775 -7.063 1.00 0.00 H new ATOM 987 N VAL A 59 -0.840 2.033 -4.742 1.00 0.00 N ATOM 988 CA VAL A 59 -0.749 0.773 -4.014 1.00 0.00 C ATOM 989 C VAL A 59 -1.434 -0.357 -4.774 1.00 0.00 C ATOM 990 O VAL A 59 -2.660 -0.392 -4.883 1.00 0.00 O ATOM 991 CB VAL A 59 -1.382 0.886 -2.613 1.00 0.00 C ATOM 992 CG1 VAL A 59 -0.996 -0.309 -1.755 1.00 0.00 C ATOM 993 CG2 VAL A 59 -0.971 2.189 -1.942 1.00 0.00 C ATOM 0 H VAL A 59 -1.722 2.174 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 59 0.312 0.547 -3.912 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.466 0.889 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.452 -0.212 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.347 -1.226 -2.229 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.088 -0.347 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.428 2.250 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.114 2.220 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.304 3.031 -2.548 1.00 0.00 H new ATOM 1003 N SER A 60 -0.635 -1.283 -5.291 1.00 0.00 N ATOM 1004 CA SER A 60 -1.162 -2.420 -6.036 1.00 0.00 C ATOM 1005 C SER A 60 -1.110 -3.687 -5.186 1.00 0.00 C ATOM 1006 O SER A 60 -0.031 -4.169 -4.839 1.00 0.00 O ATOM 1007 CB SER A 60 -0.367 -2.625 -7.326 1.00 0.00 C ATOM 1008 OG SER A 60 -1.115 -3.367 -8.274 1.00 0.00 O ATOM 0 H SER A 60 0.381 -1.269 -5.208 1.00 0.00 H new ATOM 0 HA SER A 60 -2.201 -2.211 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.097 -1.657 -7.748 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.564 -3.147 -7.104 1.00 0.00 H new ATOM 0 HG SER A 60 -1.636 -2.753 -8.833 1.00 0.00 H new ATOM 1014 N MET A 61 -2.281 -4.217 -4.850 1.00 0.00 N ATOM 1015 CA MET A 61 -2.365 -5.425 -4.038 1.00 0.00 C ATOM 1016 C MET A 61 -3.374 -6.408 -4.623 1.00 0.00 C ATOM 1017 O MET A 61 -4.321 -6.013 -5.302 1.00 0.00 O ATOM 1018 CB MET A 61 -2.750 -5.067 -2.601 1.00 0.00 C ATOM 1019 CG MET A 61 -2.963 -6.276 -1.701 1.00 0.00 C ATOM 1020 SD MET A 61 -1.436 -7.179 -1.378 1.00 0.00 S ATOM 1021 CE MET A 61 -2.034 -8.867 -1.384 1.00 0.00 C ATOM 0 H MET A 61 -3.183 -3.830 -5.127 1.00 0.00 H new ATOM 0 HA MET A 61 -1.386 -5.904 -4.036 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.969 -4.439 -2.171 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.664 -4.473 -2.617 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.394 -5.948 -0.755 1.00 0.00 H new ATOM 0 HG3 MET A 61 -3.686 -6.947 -2.165 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.680 -9.381 -0.490 1.00 0.00 H new ATOM 0 HE2 MET A 61 -3.124 -8.867 -1.395 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.662 -9.382 -2.270 1.00 0.00 H new ATOM 1031 N GLU A 62 -3.159 -7.693 -4.356 1.00 0.00 N ATOM 1032 CA GLU A 62 -4.046 -8.735 -4.855 1.00 0.00 C ATOM 1033 C GLU A 62 -5.399 -8.682 -4.153 1.00 0.00 C ATOM 1034 O GLU A 62 -5.549 -9.169 -3.033 1.00 0.00 O ATOM 1035 CB GLU A 62 -3.410 -10.113 -4.654 1.00 0.00 C ATOM 1036 CG GLU A 62 -3.714 -11.094 -5.775 1.00 0.00 C ATOM 1037 CD GLU A 62 -2.485 -11.855 -6.231 1.00 0.00 C ATOM 1038 OE1 GLU A 62 -2.010 -12.726 -5.472 1.00 0.00 O ATOM 1039 OE2 GLU A 62 -1.998 -11.583 -7.348 1.00 0.00 O ATOM 0 H GLU A 62 -2.378 -8.036 -3.797 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.203 -8.564 -5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.330 -9.996 -4.568 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.761 -10.532 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.471 -11.802 -5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.137 -10.553 -6.622 1.00 0.00 H new ATOM 1046 N VAL A 63 -6.382 -8.089 -4.821 1.00 0.00 N ATOM 1047 CA VAL A 63 -7.724 -7.972 -4.263 1.00 0.00 C ATOM 1048 C VAL A 63 -8.577 -9.178 -4.641 1.00 0.00 C ATOM 1049 O VAL A 63 -8.527 -9.654 -5.776 1.00 0.00 O ATOM 1050 CB VAL A 63 -8.422 -6.686 -4.743 1.00 0.00 C ATOM 1051 CG1 VAL A 63 -9.816 -6.568 -4.142 1.00 0.00 C ATOM 1052 CG2 VAL A 63 -7.583 -5.465 -4.400 1.00 0.00 C ATOM 0 H VAL A 63 -6.275 -7.682 -5.750 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.618 -7.930 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.526 -6.739 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.288 -5.652 -4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.416 -7.426 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.742 -6.542 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.091 -4.565 -4.747 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.444 -5.410 -3.320 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.611 -5.543 -4.887 1.00 0.00 H new ATOM 1062 N SER A 64 -9.360 -9.663 -3.683 1.00 0.00 N ATOM 1063 CA SER A 64 -10.229 -10.813 -3.908 1.00 0.00 C ATOM 1064 C SER A 64 -11.691 -10.381 -3.987 1.00 0.00 C ATOM 1065 O SER A 64 -12.493 -10.996 -4.690 1.00 0.00 O ATOM 1066 CB SER A 64 -10.049 -11.839 -2.788 1.00 0.00 C ATOM 1067 OG SER A 64 -10.206 -13.160 -3.278 1.00 0.00 O ATOM 0 H SER A 64 -9.411 -9.276 -2.741 1.00 0.00 H new ATOM 0 HA SER A 64 -9.951 -11.269 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.060 -11.727 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.776 -11.652 -1.998 1.00 0.00 H new ATOM 0 HG SER A 64 -10.085 -13.798 -2.544 1.00 0.00 H new ATOM 1073 N ASN A 65 -12.030 -9.322 -3.260 1.00 0.00 N ATOM 1074 CA ASN A 65 -13.396 -8.807 -3.246 1.00 0.00 C ATOM 1075 C ASN A 65 -13.495 -7.543 -2.397 1.00 0.00 C ATOM 1076 O ASN A 65 -12.492 -7.057 -1.873 1.00 0.00 O ATOM 1077 CB ASN A 65 -14.366 -9.868 -2.714 1.00 0.00 C ATOM 1078 CG ASN A 65 -13.737 -10.773 -1.667 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -13.163 -10.172 -0.632 1.00 0.00 O flip ATOM 1080 ND2 ASN A 65 -13.769 -11.996 -1.790 1.00 0.00 N flip ATOM 0 H ASN A 65 -11.378 -8.803 -2.672 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.669 -8.559 -4.272 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.237 -9.374 -2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.723 -10.476 -3.545 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -14.221 -12.415 -2.602 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.343 -12.591 -1.080 1.00 0.00 H new ATOM 1087 N GLU A 66 -14.710 -7.014 -2.264 1.00 0.00 N ATOM 1088 CA GLU A 66 -14.940 -5.806 -1.477 1.00 0.00 C ATOM 1089 C GLU A 66 -14.340 -5.936 -0.080 1.00 0.00 C ATOM 1090 O GLU A 66 -13.923 -4.947 0.522 1.00 0.00 O ATOM 1091 CB GLU A 66 -16.438 -5.516 -1.371 1.00 0.00 C ATOM 1092 CG GLU A 66 -17.265 -6.727 -0.965 1.00 0.00 C ATOM 1093 CD GLU A 66 -17.912 -6.563 0.397 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -17.339 -5.845 1.243 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -18.991 -7.153 0.617 1.00 0.00 O ATOM 0 H GLU A 66 -15.550 -7.404 -2.692 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.449 -4.978 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.595 -4.719 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.797 -5.147 -2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -18.039 -6.900 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.627 -7.611 -0.956 1.00 0.00 H new ATOM 1102 N SER A 67 -14.300 -7.163 0.430 1.00 0.00 N ATOM 1103 CA SER A 67 -13.750 -7.424 1.757 1.00 0.00 C ATOM 1104 C SER A 67 -12.327 -6.884 1.868 1.00 0.00 C ATOM 1105 O SER A 67 -12.013 -6.111 2.775 1.00 0.00 O ATOM 1106 CB SER A 67 -13.765 -8.922 2.054 1.00 0.00 C ATOM 1107 OG SER A 67 -14.921 -9.539 1.513 1.00 0.00 O ATOM 0 H SER A 67 -14.642 -7.993 -0.055 1.00 0.00 H new ATOM 0 HA SER A 67 -14.374 -6.912 2.490 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.872 -9.387 1.637 1.00 0.00 H new ATOM 0 HB3 SER A 67 -13.734 -9.082 3.132 1.00 0.00 H new ATOM 0 HG SER A 67 -14.700 -9.949 0.651 1.00 0.00 H new ATOM 1113 N GLU A 68 -11.471 -7.292 0.937 1.00 0.00 N ATOM 1114 CA GLU A 68 -10.085 -6.843 0.934 1.00 0.00 C ATOM 1115 C GLU A 68 -10.011 -5.346 0.662 1.00 0.00 C ATOM 1116 O GLU A 68 -9.369 -4.605 1.402 1.00 0.00 O ATOM 1117 CB GLU A 68 -9.269 -7.604 -0.116 1.00 0.00 C ATOM 1118 CG GLU A 68 -9.634 -9.076 -0.237 1.00 0.00 C ATOM 1119 CD GLU A 68 -9.629 -9.791 1.101 1.00 0.00 C ATOM 1120 OE1 GLU A 68 -10.449 -9.429 1.972 1.00 0.00 O ATOM 1121 OE2 GLU A 68 -8.807 -10.714 1.277 1.00 0.00 O ATOM 0 H GLU A 68 -11.712 -7.930 0.178 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.662 -7.046 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.407 -7.125 -1.085 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.211 -7.522 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.622 -9.165 -0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.930 -9.567 -0.909 1.00 0.00 H new ATOM 1128 N ARG A 69 -10.679 -4.908 -0.404 1.00 0.00 N ATOM 1129 CA ARG A 69 -10.694 -3.494 -0.780 1.00 0.00 C ATOM 1130 C ARG A 69 -10.899 -2.597 0.438 1.00 0.00 C ATOM 1131 O ARG A 69 -10.391 -1.477 0.490 1.00 0.00 O ATOM 1132 CB ARG A 69 -11.796 -3.234 -1.809 1.00 0.00 C ATOM 1133 CG ARG A 69 -11.816 -1.807 -2.331 1.00 0.00 C ATOM 1134 CD ARG A 69 -12.893 -1.615 -3.386 1.00 0.00 C ATOM 1135 NE ARG A 69 -12.877 -0.267 -3.947 1.00 0.00 N ATOM 1136 CZ ARG A 69 -13.445 0.062 -5.104 1.00 0.00 C ATOM 1137 NH1 ARG A 69 -14.078 -0.855 -5.825 1.00 0.00 N ATOM 1138 NH2 ARG A 69 -13.383 1.313 -5.541 1.00 0.00 N ATOM 0 H ARG A 69 -11.218 -5.513 -1.024 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.725 -3.254 -1.219 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -11.666 -3.917 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.763 -3.461 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -11.988 -1.118 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -10.842 -1.560 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -12.750 -2.342 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -13.870 -1.813 -2.946 1.00 0.00 H new ATOM 0 HE ARG A 69 -12.402 0.466 -3.420 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.131 -1.818 -5.493 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -14.512 -0.597 -6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.900 2.022 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.818 1.565 -6.428 1.00 0.00 H new ATOM 1152 N ASN A 70 -11.643 -3.100 1.418 1.00 0.00 N ATOM 1153 CA ASN A 70 -11.909 -2.348 2.637 1.00 0.00 C ATOM 1154 C ASN A 70 -10.721 -2.423 3.589 1.00 0.00 C ATOM 1155 O ASN A 70 -10.436 -1.474 4.320 1.00 0.00 O ATOM 1156 CB ASN A 70 -13.167 -2.880 3.328 1.00 0.00 C ATOM 1157 CG ASN A 70 -13.864 -1.819 4.158 1.00 0.00 C ATOM 1158 OD1 ASN A 70 -14.132 -2.019 5.343 1.00 0.00 O ATOM 1159 ND2 ASN A 70 -14.163 -0.684 3.537 1.00 0.00 N ATOM 0 H ASN A 70 -12.072 -4.025 1.391 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.069 -1.305 2.364 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.858 -3.261 2.576 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.899 -3.720 3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.634 0.066 4.044 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -13.922 -0.562 2.553 1.00 0.00 H new ATOM 1166 N GLU A 71 -10.027 -3.556 3.569 1.00 0.00 N ATOM 1167 CA GLU A 71 -8.864 -3.757 4.426 1.00 0.00 C ATOM 1168 C GLU A 71 -7.628 -3.093 3.828 1.00 0.00 C ATOM 1169 O GLU A 71 -6.801 -2.533 4.549 1.00 0.00 O ATOM 1170 CB GLU A 71 -8.608 -5.250 4.630 1.00 0.00 C ATOM 1171 CG GLU A 71 -7.943 -5.577 5.959 1.00 0.00 C ATOM 1172 CD GLU A 71 -7.517 -7.030 6.054 1.00 0.00 C ATOM 1173 OE1 GLU A 71 -6.884 -7.527 5.100 1.00 0.00 O ATOM 1174 OE2 GLU A 71 -7.818 -7.670 7.084 1.00 0.00 O ATOM 0 H GLU A 71 -10.250 -4.350 2.968 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.070 -3.296 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.556 -5.785 4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.979 -5.617 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.071 -4.937 6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.633 -5.350 6.772 1.00 0.00 H new ATOM 1181 N ILE A 72 -7.505 -3.158 2.504 1.00 0.00 N ATOM 1182 CA ILE A 72 -6.368 -2.560 1.814 1.00 0.00 C ATOM 1183 C ILE A 72 -6.419 -1.038 1.888 1.00 0.00 C ATOM 1184 O ILE A 72 -5.384 -0.372 1.867 1.00 0.00 O ATOM 1185 CB ILE A 72 -6.313 -2.983 0.330 1.00 0.00 C ATOM 1186 CG1 ILE A 72 -6.585 -4.485 0.184 1.00 0.00 C ATOM 1187 CG2 ILE A 72 -4.959 -2.621 -0.267 1.00 0.00 C ATOM 1188 CD1 ILE A 72 -6.232 -5.044 -1.179 1.00 0.00 C ATOM 0 H ILE A 72 -8.178 -3.618 1.890 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.473 -2.922 2.320 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.089 -2.445 -0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.018 -5.022 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.640 -4.674 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.930 -2.923 -1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.806 -1.544 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.170 -3.136 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.453 -6.111 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.818 -4.535 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.171 -4.889 -1.372 1.00 0.00 H new ATOM 1200 N PHE A 73 -7.629 -0.491 1.971 1.00 0.00 N ATOM 1201 CA PHE A 73 -7.812 0.954 2.044 1.00 0.00 C ATOM 1202 C PHE A 73 -7.499 1.481 3.441 1.00 0.00 C ATOM 1203 O PHE A 73 -6.775 2.463 3.595 1.00 0.00 O ATOM 1204 CB PHE A 73 -9.245 1.326 1.657 1.00 0.00 C ATOM 1205 CG PHE A 73 -9.389 2.747 1.193 1.00 0.00 C ATOM 1206 CD1 PHE A 73 -8.670 3.211 0.102 1.00 0.00 C ATOM 1207 CD2 PHE A 73 -10.243 3.620 1.847 1.00 0.00 C ATOM 1208 CE1 PHE A 73 -8.800 4.519 -0.325 1.00 0.00 C ATOM 1209 CE2 PHE A 73 -10.377 4.929 1.423 1.00 0.00 C ATOM 1210 CZ PHE A 73 -9.656 5.379 0.335 1.00 0.00 C ATOM 0 H PHE A 73 -8.496 -1.027 1.989 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.118 1.415 1.342 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.585 0.657 0.866 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.898 1.164 2.514 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.001 2.543 -0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.811 3.274 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.232 4.869 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.045 5.599 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 73 -9.761 6.401 0.001 1.00 0.00 H new ATOM 1220 N GLN A 74 -8.052 0.825 4.456 1.00 0.00 N ATOM 1221 CA GLN A 74 -7.831 1.235 5.838 1.00 0.00 C ATOM 1222 C GLN A 74 -6.409 0.912 6.288 1.00 0.00 C ATOM 1223 O GLN A 74 -5.836 1.613 7.123 1.00 0.00 O ATOM 1224 CB GLN A 74 -8.840 0.550 6.764 1.00 0.00 C ATOM 1225 CG GLN A 74 -8.640 -0.952 6.880 1.00 0.00 C ATOM 1226 CD GLN A 74 -9.488 -1.570 7.975 1.00 0.00 C ATOM 1227 OE1 GLN A 74 -9.323 -1.257 9.155 1.00 0.00 O ATOM 1228 NE2 GLN A 74 -10.403 -2.452 7.590 1.00 0.00 N ATOM 0 H GLN A 74 -8.655 0.009 4.348 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.970 2.315 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -8.769 0.995 7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.848 0.746 6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.884 -1.422 5.927 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.589 -1.161 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -10.506 -2.682 6.602 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -11.003 -2.900 8.283 1.00 0.00 H new ATOM 1237 N LYS A 75 -5.844 -0.154 5.731 1.00 0.00 N ATOM 1238 CA LYS A 75 -4.490 -0.570 6.077 1.00 0.00 C ATOM 1239 C LYS A 75 -3.461 0.433 5.567 1.00 0.00 C ATOM 1240 O LYS A 75 -2.506 0.767 6.265 1.00 0.00 O ATOM 1241 CB LYS A 75 -4.197 -1.956 5.502 1.00 0.00 C ATOM 1242 CG LYS A 75 -4.785 -3.093 6.323 1.00 0.00 C ATOM 1243 CD LYS A 75 -3.744 -3.716 7.241 1.00 0.00 C ATOM 1244 CE LYS A 75 -3.912 -3.243 8.676 1.00 0.00 C ATOM 1245 NZ LYS A 75 -3.188 -4.120 9.638 1.00 0.00 N ATOM 0 H LYS A 75 -6.303 -0.745 5.038 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.419 -0.612 7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.592 -2.010 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.118 -2.090 5.432 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.619 -2.720 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.186 -3.856 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.827 -4.802 7.203 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.745 -3.460 6.887 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.543 -2.222 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.972 -3.223 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.327 -3.764 10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.557 -5.090 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.173 -4.120 9.412 1.00 0.00 H new ATOM 1259 N ILE A 76 -3.662 0.913 4.342 1.00 0.00 N ATOM 1260 CA ILE A 76 -2.749 1.878 3.744 1.00 0.00 C ATOM 1261 C ILE A 76 -2.898 3.251 4.391 1.00 0.00 C ATOM 1262 O ILE A 76 -1.924 3.988 4.539 1.00 0.00 O ATOM 1263 CB ILE A 76 -2.979 2.005 2.224 1.00 0.00 C ATOM 1264 CG1 ILE A 76 -1.916 2.910 1.595 1.00 0.00 C ATOM 1265 CG2 ILE A 76 -4.375 2.540 1.936 1.00 0.00 C ATOM 1266 CD1 ILE A 76 -0.595 2.211 1.356 1.00 0.00 C ATOM 0 H ILE A 76 -4.447 0.649 3.747 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.739 1.508 3.918 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.894 1.013 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.292 3.294 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.751 3.770 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.518 2.622 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.118 1.858 2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.490 3.523 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.111 2.911 0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.197 1.851 2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.746 1.368 0.682 1.00 0.00 H new ATOM 1278 N SER A 77 -4.124 3.585 4.780 1.00 0.00 N ATOM 1279 CA SER A 77 -4.402 4.868 5.416 1.00 0.00 C ATOM 1280 C SER A 77 -4.446 4.723 6.934 1.00 0.00 C ATOM 1281 O SER A 77 -5.133 5.478 7.619 1.00 0.00 O ATOM 1282 CB SER A 77 -5.728 5.437 4.907 1.00 0.00 C ATOM 1283 OG SER A 77 -5.588 5.965 3.601 1.00 0.00 O ATOM 0 H SER A 77 -4.941 2.985 4.666 1.00 0.00 H new ATOM 0 HA SER A 77 -3.597 5.556 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.487 4.655 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.076 6.218 5.583 1.00 0.00 H new ATOM 0 HG SER A 77 -4.638 6.000 3.362 1.00 0.00 H new ATOM 1289 N GLN A 78 -3.708 3.746 7.452 1.00 0.00 N ATOM 1290 CA GLN A 78 -3.663 3.501 8.889 1.00 0.00 C ATOM 1291 C GLN A 78 -3.150 4.731 9.634 1.00 0.00 C ATOM 1292 O GLN A 78 -3.780 5.202 10.581 1.00 0.00 O ATOM 1293 CB GLN A 78 -2.771 2.295 9.194 1.00 0.00 C ATOM 1294 CG GLN A 78 -3.380 1.327 10.195 1.00 0.00 C ATOM 1295 CD GLN A 78 -3.379 1.873 11.610 1.00 0.00 C ATOM 1296 OE1 GLN A 78 -2.475 1.591 12.395 1.00 0.00 O ATOM 1297 NE2 GLN A 78 -4.395 2.661 11.941 1.00 0.00 N ATOM 0 H GLN A 78 -3.133 3.111 6.898 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.677 3.289 9.229 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.564 1.763 8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.815 2.649 9.579 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.404 1.100 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.825 0.389 10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.123 2.868 11.258 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.447 3.059 12.879 1.00 0.00 H new ATOM 1306 N LEU A 79 -2.004 5.243 9.200 1.00 0.00 N ATOM 1307 CA LEU A 79 -1.404 6.418 9.824 1.00 0.00 C ATOM 1308 C LEU A 79 -2.324 7.629 9.698 1.00 0.00 C ATOM 1309 O LEU A 79 -3.441 7.524 9.192 1.00 0.00 O ATOM 1310 CB LEU A 79 -0.047 6.721 9.188 1.00 0.00 C ATOM 1311 CG LEU A 79 1.155 6.085 9.892 1.00 0.00 C ATOM 1312 CD1 LEU A 79 2.142 5.537 8.875 1.00 0.00 C ATOM 1313 CD2 LEU A 79 1.833 7.097 10.806 1.00 0.00 C ATOM 0 H LEU A 79 -1.471 4.863 8.418 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.259 6.205 10.883 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.064 6.381 8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.094 7.802 9.166 1.00 0.00 H new ATOM 0 HG LEU A 79 0.798 5.255 10.502 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.989 5.089 9.395 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.651 4.781 8.262 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.495 6.347 8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.685 6.629 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.177 7.947 10.216 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.123 7.441 11.558 1.00 0.00 H new ATOM 1325 N ASP A 80 -1.845 8.779 10.165 1.00 0.00 N ATOM 1326 CA ASP A 80 -2.623 10.011 10.104 1.00 0.00 C ATOM 1327 C ASP A 80 -1.972 11.023 9.165 1.00 0.00 C ATOM 1328 O ASP A 80 -2.086 12.232 9.363 1.00 0.00 O ATOM 1329 CB ASP A 80 -2.768 10.614 11.505 1.00 0.00 C ATOM 1330 CG ASP A 80 -4.211 10.656 11.970 1.00 0.00 C ATOM 1331 OD1 ASP A 80 -5.110 10.725 11.107 1.00 0.00 O ATOM 1332 OD2 ASP A 80 -4.442 10.621 13.197 1.00 0.00 O ATOM 0 H ASP A 80 -0.923 8.882 10.589 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.612 9.769 9.714 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.178 10.030 12.212 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.359 11.624 11.507 1.00 0.00 H new ATOM 1337 N LYS A 81 -1.291 10.519 8.140 1.00 0.00 N ATOM 1338 CA LYS A 81 -0.624 11.379 7.170 1.00 0.00 C ATOM 1339 C LYS A 81 -1.498 11.585 5.936 1.00 0.00 C ATOM 1340 O LYS A 81 -1.752 12.718 5.525 1.00 0.00 O ATOM 1341 CB LYS A 81 0.721 10.776 6.760 1.00 0.00 C ATOM 1342 CG LYS A 81 1.538 10.258 7.932 1.00 0.00 C ATOM 1343 CD LYS A 81 2.265 11.386 8.649 1.00 0.00 C ATOM 1344 CE LYS A 81 2.098 11.290 10.156 1.00 0.00 C ATOM 1345 NZ LYS A 81 0.737 11.712 10.593 1.00 0.00 N ATOM 0 H LYS A 81 -1.187 9.520 7.960 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.452 12.348 7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.545 9.958 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.301 11.530 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.882 9.743 8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.263 9.526 7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.325 11.354 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.883 12.345 8.300 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.280 10.264 10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.846 11.915 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 0.812 12.281 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 0.292 12.279 9.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.156 10.870 10.781 1.00 0.00 H new ATOM 1359 N VAL A 82 -1.954 10.481 5.351 1.00 0.00 N ATOM 1360 CA VAL A 82 -2.799 10.533 4.163 1.00 0.00 C ATOM 1361 C VAL A 82 -3.972 11.488 4.353 1.00 0.00 C ATOM 1362 O VAL A 82 -4.571 11.548 5.426 1.00 0.00 O ATOM 1363 CB VAL A 82 -3.343 9.141 3.794 1.00 0.00 C ATOM 1364 CG1 VAL A 82 -2.206 8.199 3.434 1.00 0.00 C ATOM 1365 CG2 VAL A 82 -4.177 8.571 4.932 1.00 0.00 C ATOM 0 H VAL A 82 -1.752 9.538 5.682 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.168 10.897 3.352 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.987 9.246 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.612 7.221 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.657 8.600 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.532 8.100 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.552 7.587 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.560 8.482 5.826 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.017 9.235 5.135 1.00 0.00 H new ATOM 1375 N VAL A 83 -4.290 12.235 3.302 1.00 0.00 N ATOM 1376 CA VAL A 83 -5.386 13.191 3.348 1.00 0.00 C ATOM 1377 C VAL A 83 -6.309 13.025 2.141 1.00 0.00 C ATOM 1378 O VAL A 83 -7.531 13.062 2.274 1.00 0.00 O ATOM 1379 CB VAL A 83 -4.849 14.635 3.391 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -5.975 15.647 3.231 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -4.089 14.878 4.686 1.00 0.00 C ATOM 0 H VAL A 83 -3.802 12.196 2.407 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.956 12.995 4.256 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.163 14.766 2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.565 16.656 3.266 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.472 15.490 2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.695 15.520 4.039 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.716 15.902 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.756 14.721 5.534 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.250 14.185 4.751 1.00 0.00 H new ATOM 1391 N GLN A 84 -5.714 12.844 0.966 1.00 0.00 N ATOM 1392 CA GLN A 84 -6.485 12.675 -0.260 1.00 0.00 C ATOM 1393 C GLN A 84 -6.307 11.270 -0.826 1.00 0.00 C ATOM 1394 O GLN A 84 -5.258 10.939 -1.378 1.00 0.00 O ATOM 1395 CB GLN A 84 -6.062 13.713 -1.301 1.00 0.00 C ATOM 1396 CG GLN A 84 -6.973 13.762 -2.517 1.00 0.00 C ATOM 1397 CD GLN A 84 -7.147 15.168 -3.058 1.00 0.00 C ATOM 1398 OE1 GLN A 84 -6.190 15.791 -3.521 1.00 0.00 O ATOM 1399 NE2 GLN A 84 -8.373 15.675 -3.002 1.00 0.00 N ATOM 0 H GLN A 84 -4.703 12.811 0.837 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.538 12.820 -0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -6.042 14.697 -0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.045 13.494 -1.628 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.563 13.124 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -7.949 13.355 -2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.136 15.123 -2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.552 16.617 -3.351 1.00 0.00 H new ATOM 1408 N THR A 85 -7.342 10.446 -0.685 1.00 0.00 N ATOM 1409 CA THR A 85 -7.303 9.078 -1.182 1.00 0.00 C ATOM 1410 C THR A 85 -8.229 8.909 -2.382 1.00 0.00 C ATOM 1411 O THR A 85 -9.257 9.579 -2.485 1.00 0.00 O ATOM 1412 CB THR A 85 -7.701 8.099 -0.075 1.00 0.00 C ATOM 1413 OG1 THR A 85 -8.946 8.468 0.494 1.00 0.00 O ATOM 1414 CG2 THR A 85 -6.689 8.023 1.047 1.00 0.00 C ATOM 0 H THR A 85 -8.218 10.704 -0.230 1.00 0.00 H new ATOM 0 HA THR A 85 -6.283 8.862 -1.499 1.00 0.00 H new ATOM 0 HB THR A 85 -7.759 7.123 -0.557 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.178 7.840 1.209 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.032 7.312 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.728 7.696 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.577 9.007 1.503 1.00 0.00 H new ATOM 1422 N LEU A 86 -7.858 8.010 -3.288 1.00 0.00 N ATOM 1423 CA LEU A 86 -8.655 7.751 -4.482 1.00 0.00 C ATOM 1424 C LEU A 86 -8.846 9.027 -5.297 1.00 0.00 C ATOM 1425 O LEU A 86 -9.485 8.954 -6.368 1.00 0.00 O ATOM 1426 CB LEU A 86 -10.015 7.172 -4.094 1.00 0.00 C ATOM 1427 CG LEU A 86 -10.848 6.634 -5.259 1.00 0.00 C ATOM 1428 CD1 LEU A 86 -10.056 5.603 -6.049 1.00 0.00 C ATOM 1429 CD2 LEU A 86 -12.150 6.031 -4.750 1.00 0.00 C ATOM 1430 OXT LEU A 86 -8.357 10.089 -4.859 1.00 0.00 O ATOM 0 H LEU A 86 -7.010 7.448 -3.218 1.00 0.00 H new ATOM 0 HA LEU A 86 -8.120 7.027 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.858 6.366 -3.377 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -10.589 7.945 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.089 7.465 -5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.664 5.231 -6.874 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.151 6.064 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.785 4.774 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -12.730 5.653 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.929 5.212 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.725 6.795 -4.227 1.00 0.00 H new