USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 757 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 47 CYS SG : rot -144:sc= 0.114 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -3.81! C(o=-6!,f=-15!) USER MOD Set 1.3: A 50 CYS SG : rot 91:sc= -2.33! USER MOD Set 2.1: A 28 ASN : amide:sc= -3.13! C(o=-4.3!,f=-6.6!) USER MOD Set 2.2: A 33 GLN :FLIP amide:sc= -1.14 F(o=-6.8!,f=-4.3) USER MOD Set 3.1: A 23 THR OG1 : rot -93:sc= 1.26 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.454 K(o=0.81,f=-2.4) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -166:sc= 1.48 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -4.41! C(o=-4.4!,f=-4!) USER MOD Single : A 54 THR OG1 : rot 89:sc= 0.96 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 140:sc= 0.162 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -8.24! C(o=-8.2!,f=-17!) USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= -0.101 (180deg=-0.498) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -5.12! C(o=-6.7!,f=-5.1!) USER MOD Single : A 79 GLN : amide:sc= -0.613 K(o=-0.61,f=-4.6!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 80:sc= 0.867 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 58:sc= 0.748 USER MOD Single : A 94 LYS NZ :NH3+ -167:sc= 0.0806 (180deg=0.0549) USER MOD Single : A 99 ASN : amide:sc= -3.26! C(o=-3.3!,f=-2.9!) USER MOD Single : A 100 LYS NZ :NH3+ 173:sc= 1.06 (180deg=0.757) USER MOD Single : A 101 ASN : amide:sc=-0.000682 X(o=-0.00068,f=-0.2) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.978 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.899 2.421 -11.680 1.00 0.00 N ATOM 196 CA ASP A 18 7.536 1.010 -11.612 1.00 0.00 C ATOM 197 C ASP A 18 6.373 0.794 -10.650 1.00 0.00 C ATOM 198 O ASP A 18 5.988 -0.342 -10.370 1.00 0.00 O ATOM 199 CB ASP A 18 8.739 0.172 -11.175 1.00 0.00 C ATOM 200 CG ASP A 18 9.909 0.296 -12.131 1.00 0.00 C ATOM 201 OD1 ASP A 18 10.349 1.437 -12.385 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.384 -0.748 -12.626 1.00 0.00 O ATOM 0 HA ASP A 18 7.224 0.692 -12.607 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.053 0.484 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.442 -0.874 -11.102 1.00 0.00 H new ATOM 207 N VAL A 19 5.817 1.890 -10.145 1.00 0.00 N ATOM 208 CA VAL A 19 4.697 1.821 -9.214 1.00 0.00 C ATOM 209 C VAL A 19 3.370 1.716 -9.957 1.00 0.00 C ATOM 210 O VAL A 19 3.119 2.458 -10.906 1.00 0.00 O ATOM 211 CB VAL A 19 4.659 3.052 -8.289 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.415 3.025 -7.415 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.918 3.117 -7.437 1.00 0.00 C ATOM 0 H VAL A 19 6.124 2.837 -10.365 1.00 0.00 H new ATOM 0 HA VAL A 19 4.843 0.926 -8.609 1.00 0.00 H new ATOM 0 HB VAL A 19 4.620 3.949 -8.908 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.406 3.902 -6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.527 3.030 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.420 2.123 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.874 3.993 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.991 2.217 -6.826 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.792 3.188 -8.084 1.00 0.00 H new ATOM 223 N ILE A 20 2.524 0.790 -9.517 1.00 0.00 N ATOM 224 CA ILE A 20 1.222 0.589 -10.140 1.00 0.00 C ATOM 225 C ILE A 20 0.158 1.463 -9.484 1.00 0.00 C ATOM 226 O ILE A 20 -0.071 1.378 -8.278 1.00 0.00 O ATOM 227 CB ILE A 20 0.781 -0.884 -10.059 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.737 -1.770 -10.860 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.644 -1.039 -10.569 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.675 -3.231 -10.472 1.00 0.00 C ATOM 0 H ILE A 20 2.717 0.168 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 20 1.326 0.872 -11.188 1.00 0.00 H new ATOM 0 HB ILE A 20 0.810 -1.199 -9.016 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.506 -1.674 -11.921 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.756 -1.409 -10.722 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.941 -2.086 -10.505 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.316 -0.433 -9.961 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.697 -0.709 -11.607 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.379 -3.799 -11.080 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.936 -3.339 -9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.666 -3.609 -10.637 1.00 0.00 H new ATOM 242 N GLU A 21 -0.489 2.302 -10.287 1.00 0.00 N ATOM 243 CA GLU A 21 -1.529 3.191 -9.784 1.00 0.00 C ATOM 244 C GLU A 21 -2.775 2.402 -9.390 1.00 0.00 C ATOM 245 O GLU A 21 -3.600 2.058 -10.238 1.00 0.00 O ATOM 246 CB GLU A 21 -1.889 4.240 -10.838 1.00 0.00 C ATOM 247 CG GLU A 21 -2.394 5.546 -10.249 1.00 0.00 C ATOM 248 CD GLU A 21 -1.269 6.501 -9.897 1.00 0.00 C ATOM 249 OE1 GLU A 21 -0.249 6.506 -10.618 1.00 0.00 O ATOM 250 OE2 GLU A 21 -1.409 7.241 -8.902 1.00 0.00 O ATOM 0 H GLU A 21 -0.311 2.384 -11.288 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.143 3.695 -8.898 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.011 4.443 -11.451 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.652 3.831 -11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.064 6.027 -10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.979 5.334 -9.354 1.00 0.00 H new ATOM 257 N LEU A 22 -2.905 2.119 -8.099 1.00 0.00 N ATOM 258 CA LEU A 22 -4.049 1.370 -7.591 1.00 0.00 C ATOM 259 C LEU A 22 -5.231 2.297 -7.324 1.00 0.00 C ATOM 260 O LEU A 22 -5.069 3.384 -6.768 1.00 0.00 O ATOM 261 CB LEU A 22 -3.669 0.627 -6.309 1.00 0.00 C ATOM 262 CG LEU A 22 -2.773 -0.600 -6.485 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.468 -1.235 -5.137 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.428 -1.609 -7.416 1.00 0.00 C ATOM 0 H LEU A 22 -2.232 2.397 -7.384 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.343 0.645 -8.350 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.165 1.327 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.586 0.314 -5.809 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.833 -0.279 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.829 -2.107 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.957 -0.512 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.399 -1.542 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.777 -2.475 -7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.383 -1.925 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.595 -1.150 -8.391 1.00 0.00 H new ATOM 276 N THR A 23 -6.422 1.859 -7.721 1.00 0.00 N ATOM 277 CA THR A 23 -7.631 2.648 -7.524 1.00 0.00 C ATOM 278 C THR A 23 -8.773 1.783 -7.004 1.00 0.00 C ATOM 279 O THR A 23 -8.750 0.556 -7.105 1.00 0.00 O ATOM 280 CB THR A 23 -8.074 3.332 -8.830 1.00 0.00 C ATOM 281 OG1 THR A 23 -9.077 2.544 -9.481 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.891 3.531 -9.766 1.00 0.00 C ATOM 0 H THR A 23 -6.575 0.962 -8.181 1.00 0.00 H new ATOM 0 HA THR A 23 -7.392 3.413 -6.785 1.00 0.00 H new ATOM 0 HB THR A 23 -8.487 4.309 -8.580 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.652 1.941 -10.125 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.229 4.016 -10.682 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.143 4.157 -9.279 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.452 2.563 -10.009 1.00 0.00 H new ATOM 290 N PRO A 24 -9.798 2.434 -6.434 1.00 0.00 N ATOM 291 CA PRO A 24 -10.970 1.743 -5.888 1.00 0.00 C ATOM 292 C PRO A 24 -11.840 1.127 -6.978 1.00 0.00 C ATOM 293 O PRO A 24 -13.007 0.811 -6.749 1.00 0.00 O ATOM 294 CB PRO A 24 -11.730 2.855 -5.161 1.00 0.00 C ATOM 295 CG PRO A 24 -11.317 4.110 -5.849 1.00 0.00 C ATOM 296 CD PRO A 24 -9.892 3.896 -6.279 1.00 0.00 C ATOM 0 HA PRO A 24 -10.689 0.909 -5.245 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.808 2.705 -5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.474 2.882 -4.102 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.957 4.314 -6.707 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.398 4.967 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.672 4.414 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.188 4.267 -5.535 1.00 0.00 H new ATOM 304 N SER A 25 -11.264 0.959 -8.164 1.00 0.00 N ATOM 305 CA SER A 25 -11.988 0.384 -9.291 1.00 0.00 C ATOM 306 C SER A 25 -11.286 -0.869 -9.806 1.00 0.00 C ATOM 307 O SER A 25 -11.904 -1.724 -10.438 1.00 0.00 O ATOM 308 CB SER A 25 -12.118 1.410 -10.419 1.00 0.00 C ATOM 309 OG SER A 25 -13.231 2.261 -10.208 1.00 0.00 O ATOM 0 H SER A 25 -10.298 1.213 -8.369 1.00 0.00 H new ATOM 0 HA SER A 25 -12.984 0.106 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.207 2.006 -10.480 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.226 0.894 -11.373 1.00 0.00 H new ATOM 0 HG SER A 25 -13.291 2.908 -10.941 1.00 0.00 H new ATOM 315 N ASN A 26 -9.990 -0.969 -9.529 1.00 0.00 N ATOM 316 CA ASN A 26 -9.202 -2.116 -9.964 1.00 0.00 C ATOM 317 C ASN A 26 -8.468 -2.750 -8.787 1.00 0.00 C ATOM 318 O ASN A 26 -7.975 -3.874 -8.881 1.00 0.00 O ATOM 319 CB ASN A 26 -8.198 -1.694 -11.039 1.00 0.00 C ATOM 320 CG ASN A 26 -7.700 -0.275 -10.839 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.393 0.689 -11.162 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.492 -0.142 -10.303 1.00 0.00 N ATOM 0 H ASN A 26 -9.464 -0.270 -9.005 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.884 -2.855 -10.384 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.350 -2.379 -11.029 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.664 -1.778 -12.021 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.104 0.788 -10.144 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.952 -0.970 -10.050 1.00 0.00 H new ATOM 329 N PHE A 27 -8.399 -2.021 -7.678 1.00 0.00 N ATOM 330 CA PHE A 27 -7.724 -2.511 -6.481 1.00 0.00 C ATOM 331 C PHE A 27 -7.978 -4.003 -6.287 1.00 0.00 C ATOM 332 O PHE A 27 -7.132 -4.723 -5.760 1.00 0.00 O ATOM 333 CB PHE A 27 -8.198 -1.736 -5.250 1.00 0.00 C ATOM 334 CG PHE A 27 -7.404 -2.037 -4.011 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.457 -3.291 -3.426 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.606 -1.064 -3.431 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.727 -3.571 -2.286 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.874 -1.338 -2.291 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.936 -2.593 -1.717 1.00 0.00 C ATOM 0 H PHE A 27 -8.802 -1.089 -7.583 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.653 -2.356 -6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.140 -0.668 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.247 -1.969 -5.065 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.076 -4.059 -3.866 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.555 -0.081 -3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.775 -4.554 -1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.254 -0.572 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.367 -2.809 -0.825 1.00 0.00 H new ATOM 349 N ASN A 28 -9.151 -4.458 -6.715 1.00 0.00 N ATOM 350 CA ASN A 28 -9.518 -5.864 -6.587 1.00 0.00 C ATOM 351 C ASN A 28 -8.965 -6.679 -7.753 1.00 0.00 C ATOM 352 O ASN A 28 -8.489 -7.799 -7.570 1.00 0.00 O ATOM 353 CB ASN A 28 -11.039 -6.012 -6.523 1.00 0.00 C ATOM 354 CG ASN A 28 -11.469 -7.424 -6.175 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.772 -7.725 -5.021 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.496 -8.297 -7.175 1.00 0.00 N ATOM 0 H ASN A 28 -9.863 -3.874 -7.153 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.084 -6.244 -5.662 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.438 -5.321 -5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.469 -5.731 -7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.776 -9.262 -7.002 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.236 -8.002 -8.116 1.00 0.00 H new ATOM 363 N ARG A 29 -9.031 -6.108 -8.951 1.00 0.00 N ATOM 364 CA ARG A 29 -8.539 -6.781 -10.147 1.00 0.00 C ATOM 365 C ARG A 29 -7.021 -6.658 -10.253 1.00 0.00 C ATOM 366 O ARG A 29 -6.402 -7.254 -11.133 1.00 0.00 O ATOM 367 CB ARG A 29 -9.198 -6.194 -11.396 1.00 0.00 C ATOM 368 CG ARG A 29 -10.483 -6.900 -11.795 1.00 0.00 C ATOM 369 CD ARG A 29 -11.483 -5.932 -12.409 1.00 0.00 C ATOM 370 NE ARG A 29 -12.328 -6.580 -13.409 1.00 0.00 N ATOM 371 CZ ARG A 29 -13.434 -7.253 -13.112 1.00 0.00 C ATOM 372 NH1 ARG A 29 -13.827 -7.365 -11.851 1.00 0.00 N ATOM 373 NH2 ARG A 29 -14.150 -7.814 -14.078 1.00 0.00 N ATOM 0 H ARG A 29 -9.421 -5.180 -9.119 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.797 -7.837 -10.072 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.412 -5.139 -11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.493 -6.244 -12.226 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.257 -7.693 -12.508 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -10.925 -7.375 -10.919 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.110 -5.511 -11.623 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.948 -5.101 -12.870 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.054 -6.512 -14.389 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.280 -6.934 -11.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.677 -7.882 -11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -13.851 -7.729 -15.050 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.999 -8.331 -13.849 1.00 0.00 H new ATOM 387 N GLU A 30 -6.431 -5.880 -9.351 1.00 0.00 N ATOM 388 CA GLU A 30 -4.987 -5.678 -9.346 1.00 0.00 C ATOM 389 C GLU A 30 -4.338 -6.421 -8.182 1.00 0.00 C ATOM 390 O GLU A 30 -3.346 -7.129 -8.358 1.00 0.00 O ATOM 391 CB GLU A 30 -4.658 -4.186 -9.259 1.00 0.00 C ATOM 392 CG GLU A 30 -4.535 -3.510 -10.614 1.00 0.00 C ATOM 393 CD GLU A 30 -3.168 -3.703 -11.240 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.544 -4.756 -10.990 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.720 -2.801 -11.979 1.00 0.00 O ATOM 0 H GLU A 30 -6.930 -5.380 -8.615 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.587 -6.077 -10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.434 -3.684 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.723 -4.060 -8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.297 -3.907 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.733 -2.444 -10.503 1.00 0.00 H new ATOM 402 N VAL A 31 -4.906 -6.256 -6.991 1.00 0.00 N ATOM 403 CA VAL A 31 -4.384 -6.910 -5.798 1.00 0.00 C ATOM 404 C VAL A 31 -5.205 -8.146 -5.446 1.00 0.00 C ATOM 405 O VAL A 31 -4.705 -9.270 -5.496 1.00 0.00 O ATOM 406 CB VAL A 31 -4.375 -5.953 -4.591 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.870 -6.667 -3.346 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.527 -4.726 -4.892 1.00 0.00 C ATOM 0 H VAL A 31 -5.728 -5.675 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.360 -7.208 -6.023 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.397 -5.624 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.871 -5.975 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.521 -7.512 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.856 -7.027 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.531 -4.060 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.504 -5.035 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.937 -4.203 -5.756 1.00 0.00 H new ATOM 418 N ILE A 32 -6.466 -7.930 -5.090 1.00 0.00 N ATOM 419 CA ILE A 32 -7.357 -9.027 -4.731 1.00 0.00 C ATOM 420 C ILE A 32 -7.308 -10.138 -5.774 1.00 0.00 C ATOM 421 O ILE A 32 -7.430 -11.317 -5.444 1.00 0.00 O ATOM 422 CB ILE A 32 -8.812 -8.544 -4.580 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.886 -7.384 -3.585 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.706 -9.691 -4.133 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.472 -7.765 -2.181 1.00 0.00 C ATOM 0 H ILE A 32 -6.894 -7.006 -5.042 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.010 -9.415 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.165 -8.190 -5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.247 -6.573 -3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.906 -7.000 -3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.731 -9.335 -4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.672 -10.489 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.357 -10.072 -3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.549 -6.894 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.126 -8.554 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.442 -8.122 -2.190 1.00 0.00 H new ATOM 437 N GLN A 33 -7.127 -9.753 -7.033 1.00 0.00 N ATOM 438 CA GLN A 33 -7.061 -10.718 -8.125 1.00 0.00 C ATOM 439 C GLN A 33 -5.614 -11.070 -8.453 1.00 0.00 C ATOM 440 O GLN A 33 -5.287 -11.393 -9.595 1.00 0.00 O ATOM 441 CB GLN A 33 -7.758 -10.162 -9.368 1.00 0.00 C ATOM 442 CG GLN A 33 -9.274 -10.148 -9.260 1.00 0.00 C ATOM 443 CD GLN A 33 -9.806 -11.248 -8.362 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.069 -10.910 -7.105 1.00 0.00 O flip ATOM 445 NE2 GLN A 33 -9.977 -12.389 -8.792 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.023 -8.780 -7.322 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.573 -11.626 -7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.405 -9.146 -9.548 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.469 -10.758 -10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.598 -9.181 -8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.706 -10.256 -10.255 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.762 -12.605 -9.765 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.334 -13.118 -8.175 1.00 0.00 H new ATOM 454 N SER A 34 -4.750 -11.003 -7.445 1.00 0.00 N ATOM 455 CA SER A 34 -3.337 -11.311 -7.627 1.00 0.00 C ATOM 456 C SER A 34 -2.860 -12.315 -6.582 1.00 0.00 C ATOM 457 O SER A 34 -2.603 -11.957 -5.433 1.00 0.00 O ATOM 458 CB SER A 34 -2.500 -10.033 -7.542 1.00 0.00 C ATOM 459 OG SER A 34 -1.117 -10.333 -7.468 1.00 0.00 O ATOM 0 H SER A 34 -5.004 -10.738 -6.493 1.00 0.00 H new ATOM 0 HA SER A 34 -3.212 -11.754 -8.615 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.694 -9.409 -8.414 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.798 -9.457 -6.666 1.00 0.00 H new ATOM 0 HG SER A 34 -0.624 -9.534 -7.187 1.00 0.00 H new ATOM 465 N ASP A 35 -2.743 -13.574 -6.991 1.00 0.00 N ATOM 466 CA ASP A 35 -2.297 -14.631 -6.091 1.00 0.00 C ATOM 467 C ASP A 35 -0.950 -14.280 -5.466 1.00 0.00 C ATOM 468 O ASP A 35 -0.634 -14.717 -4.360 1.00 0.00 O ATOM 469 CB ASP A 35 -2.193 -15.959 -6.843 1.00 0.00 C ATOM 470 CG ASP A 35 -1.357 -16.982 -6.098 1.00 0.00 C ATOM 471 OD1 ASP A 35 -1.901 -17.644 -5.189 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.161 -17.121 -6.426 1.00 0.00 O ATOM 0 H ASP A 35 -2.951 -13.887 -7.939 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.033 -14.730 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.193 -16.360 -7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.756 -15.783 -7.826 1.00 0.00 H new ATOM 477 N GLY A 36 -0.159 -13.488 -6.184 1.00 0.00 N ATOM 478 CA GLY A 36 1.145 -13.092 -5.684 1.00 0.00 C ATOM 479 C GLY A 36 1.052 -12.086 -4.555 1.00 0.00 C ATOM 480 O GLY A 36 -0.028 -11.845 -4.015 1.00 0.00 O ATOM 0 H GLY A 36 -0.398 -13.114 -7.102 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.681 -13.975 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.729 -12.665 -6.499 1.00 0.00 H new ATOM 484 N LEU A 37 2.188 -11.498 -4.194 1.00 0.00 N ATOM 485 CA LEU A 37 2.231 -10.512 -3.119 1.00 0.00 C ATOM 486 C LEU A 37 1.981 -9.107 -3.658 1.00 0.00 C ATOM 487 O LEU A 37 2.412 -8.769 -4.760 1.00 0.00 O ATOM 488 CB LEU A 37 3.583 -10.564 -2.407 1.00 0.00 C ATOM 489 CG LEU A 37 3.576 -10.192 -0.924 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.060 -11.350 -0.085 1.00 0.00 C ATOM 491 CD2 LEU A 37 4.969 -9.781 -0.470 1.00 0.00 C ATOM 0 H LEU A 37 3.091 -11.687 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 37 1.442 -10.753 -2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.985 -11.573 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.270 -9.895 -2.925 1.00 0.00 H new ATOM 0 HG LEU A 37 2.906 -9.344 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.062 -11.066 0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.044 -11.597 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.703 -12.218 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.945 -9.520 0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.661 -10.609 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.301 -8.919 -1.049 1.00 0.00 H new ATOM 503 N TRP A 38 1.284 -8.294 -2.873 1.00 0.00 N ATOM 504 CA TRP A 38 0.979 -6.924 -3.271 1.00 0.00 C ATOM 505 C TRP A 38 1.269 -5.950 -2.135 1.00 0.00 C ATOM 506 O TRP A 38 0.812 -6.142 -1.007 1.00 0.00 O ATOM 507 CB TRP A 38 -0.486 -6.809 -3.697 1.00 0.00 C ATOM 508 CG TRP A 38 -0.677 -6.840 -5.183 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.939 -7.937 -5.953 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.618 -5.724 -6.078 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.047 -7.571 -7.273 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.856 -6.218 -7.375 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.391 -4.356 -5.909 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.870 -5.391 -8.495 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.405 -3.536 -7.021 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.644 -4.055 -8.301 1.00 0.00 C ATOM 0 H TRP A 38 0.919 -8.559 -1.958 1.00 0.00 H new ATOM 0 HA TRP A 38 1.617 -6.667 -4.117 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -1.052 -7.625 -3.248 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.899 -5.880 -3.304 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.046 -8.945 -5.579 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.238 -8.203 -8.050 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.208 -3.947 -4.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.053 -5.790 -9.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.229 -2.477 -6.902 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.650 -3.388 -9.150 1.00 0.00 H new ATOM 527 N LEU A 39 2.030 -4.904 -2.438 1.00 0.00 N ATOM 528 CA LEU A 39 2.380 -3.898 -1.441 1.00 0.00 C ATOM 529 C LEU A 39 1.683 -2.574 -1.734 1.00 0.00 C ATOM 530 O LEU A 39 2.119 -1.807 -2.592 1.00 0.00 O ATOM 531 CB LEU A 39 3.896 -3.693 -1.407 1.00 0.00 C ATOM 532 CG LEU A 39 4.670 -4.568 -0.419 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.153 -4.568 -0.756 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.444 -4.089 1.007 1.00 0.00 C ATOM 0 H LEU A 39 2.416 -4.730 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 39 2.045 -4.255 -0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.289 -3.874 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.096 -2.648 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 39 4.300 -5.590 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.688 -5.195 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.297 -4.959 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.538 -3.550 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.002 -4.723 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.786 -3.059 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.382 -4.142 1.245 1.00 0.00 H new ATOM 546 N VAL A 40 0.596 -2.311 -1.015 1.00 0.00 N ATOM 547 CA VAL A 40 -0.160 -1.078 -1.195 1.00 0.00 C ATOM 548 C VAL A 40 0.139 -0.082 -0.081 1.00 0.00 C ATOM 549 O VAL A 40 0.033 -0.407 1.101 1.00 0.00 O ATOM 550 CB VAL A 40 -1.676 -1.350 -1.232 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.438 -0.082 -1.585 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.993 -2.464 -2.219 1.00 0.00 C ATOM 0 H VAL A 40 0.220 -2.936 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 40 0.149 -0.654 -2.150 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.994 -1.672 -0.240 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.507 -0.294 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.235 0.685 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.119 0.273 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.068 -2.643 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.661 -2.173 -3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.477 -3.375 -1.917 1.00 0.00 H new ATOM 562 N GLU A 41 0.513 1.134 -0.466 1.00 0.00 N ATOM 563 CA GLU A 41 0.828 2.179 0.501 1.00 0.00 C ATOM 564 C GLU A 41 -0.141 3.351 0.372 1.00 0.00 C ATOM 565 O GLU A 41 -0.442 3.802 -0.733 1.00 0.00 O ATOM 566 CB GLU A 41 2.265 2.667 0.308 1.00 0.00 C ATOM 567 CG GLU A 41 2.537 4.024 0.937 1.00 0.00 C ATOM 568 CD GLU A 41 2.250 5.173 -0.009 1.00 0.00 C ATOM 569 OE1 GLU A 41 1.067 5.555 -0.138 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.207 5.691 -0.622 1.00 0.00 O ATOM 0 H GLU A 41 0.605 1.420 -1.441 1.00 0.00 H new ATOM 0 HA GLU A 41 0.727 1.756 1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.949 1.934 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.481 2.721 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.926 4.134 1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.579 4.071 1.254 1.00 0.00 H new ATOM 577 N PHE A 42 -0.626 3.838 1.509 1.00 0.00 N ATOM 578 CA PHE A 42 -1.562 4.956 1.524 1.00 0.00 C ATOM 579 C PHE A 42 -0.853 6.254 1.899 1.00 0.00 C ATOM 580 O PHE A 42 -0.586 6.511 3.073 1.00 0.00 O ATOM 581 CB PHE A 42 -2.702 4.681 2.507 1.00 0.00 C ATOM 582 CG PHE A 42 -3.481 3.437 2.189 1.00 0.00 C ATOM 583 CD1 PHE A 42 -3.002 2.191 2.560 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.691 3.513 1.519 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.716 1.043 2.270 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.410 2.369 1.227 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.921 1.133 1.602 1.00 0.00 C ATOM 0 H PHE A 42 -0.386 3.476 2.432 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.975 5.065 0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.291 4.595 3.513 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.381 5.534 2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.060 2.116 3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.077 4.477 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.332 0.078 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.353 2.442 0.706 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.480 0.238 1.373 1.00 0.00 H new ATOM 597 N TYR A 43 -0.551 7.068 0.894 1.00 0.00 N ATOM 598 CA TYR A 43 0.129 8.338 1.117 1.00 0.00 C ATOM 599 C TYR A 43 -0.831 9.510 0.937 1.00 0.00 C ATOM 600 O TYR A 43 -1.996 9.324 0.587 1.00 0.00 O ATOM 601 CB TYR A 43 1.312 8.482 0.158 1.00 0.00 C ATOM 602 CG TYR A 43 0.903 8.761 -1.270 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.475 10.025 -1.657 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.944 7.760 -2.233 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.100 10.284 -2.961 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.572 8.011 -3.540 1.00 0.00 C ATOM 607 CZ TYR A 43 0.150 9.274 -3.899 1.00 0.00 C ATOM 608 OH TYR A 43 -0.222 9.527 -5.199 1.00 0.00 O ATOM 0 H TYR A 43 -0.766 6.871 -0.083 1.00 0.00 H new ATOM 0 HA TYR A 43 0.497 8.348 2.143 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.956 9.289 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.904 7.568 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.435 10.819 -0.926 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.272 6.769 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.231 11.272 -3.245 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.612 7.222 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.127 8.710 -5.731 1.00 0.00 H new ATOM 618 N ALA A 44 -0.332 10.718 1.179 1.00 0.00 N ATOM 619 CA ALA A 44 -1.143 11.921 1.042 1.00 0.00 C ATOM 620 C ALA A 44 -0.391 13.006 0.280 1.00 0.00 C ATOM 621 O ALA A 44 0.683 13.453 0.685 1.00 0.00 O ATOM 622 CB ALA A 44 -1.566 12.431 2.412 1.00 0.00 C ATOM 0 H ALA A 44 0.630 10.889 1.471 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.035 11.665 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.171 13.330 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.150 11.664 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.680 12.665 3.003 1.00 0.00 H new ATOM 628 N PRO A 45 -0.965 13.442 -0.851 1.00 0.00 N ATOM 629 CA PRO A 45 -0.365 14.481 -1.694 1.00 0.00 C ATOM 630 C PRO A 45 -0.397 15.855 -1.032 1.00 0.00 C ATOM 631 O PRO A 45 -0.029 16.857 -1.644 1.00 0.00 O ATOM 632 CB PRO A 45 -1.242 14.471 -2.948 1.00 0.00 C ATOM 633 CG PRO A 45 -2.556 13.940 -2.487 1.00 0.00 C ATOM 634 CD PRO A 45 -2.244 12.955 -1.395 1.00 0.00 C ATOM 0 HA PRO A 45 0.689 14.286 -1.893 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.345 15.472 -3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.812 13.842 -3.727 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.194 14.743 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.091 13.459 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.024 12.939 -0.634 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.155 11.940 -1.783 1.00 0.00 H new ATOM 642 N TRP A 46 -0.839 15.893 0.219 1.00 0.00 N ATOM 643 CA TRP A 46 -0.919 17.144 0.964 1.00 0.00 C ATOM 644 C TRP A 46 -0.020 17.104 2.195 1.00 0.00 C ATOM 645 O TRP A 46 0.232 18.132 2.825 1.00 0.00 O ATOM 646 CB TRP A 46 -2.364 17.422 1.382 1.00 0.00 C ATOM 647 CG TRP A 46 -3.008 16.271 2.094 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.986 15.451 1.609 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.720 15.815 3.420 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.324 14.512 2.554 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.561 14.713 3.673 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.832 16.227 4.417 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.539 14.023 4.882 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.813 15.542 5.617 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.661 14.449 5.841 1.00 0.00 C ATOM 0 H TRP A 46 -1.148 15.072 0.739 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.576 17.947 0.312 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.385 18.298 2.030 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.950 17.666 0.496 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.429 15.529 0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -5.029 13.784 2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.172 17.066 4.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.192 13.181 5.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.133 15.854 6.396 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.621 13.933 6.789 1.00 0.00 H new ATOM 666 N CYS A 47 0.462 15.913 2.531 1.00 0.00 N ATOM 667 CA CYS A 47 1.333 15.739 3.688 1.00 0.00 C ATOM 668 C CYS A 47 2.799 15.876 3.289 1.00 0.00 C ATOM 669 O CYS A 47 3.117 16.107 2.124 1.00 0.00 O ATOM 670 CB CYS A 47 1.093 14.374 4.333 1.00 0.00 C ATOM 671 SG CYS A 47 1.293 14.361 6.130 1.00 0.00 S ATOM 0 H CYS A 47 0.265 15.053 2.019 1.00 0.00 H new ATOM 0 HA CYS A 47 1.097 16.520 4.411 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.085 14.041 4.088 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.782 13.651 3.896 1.00 0.00 H new ATOM 0 HG CYS A 47 1.818 13.231 6.500 1.00 0.00 H new ATOM 677 N GLY A 48 3.689 15.734 4.267 1.00 0.00 N ATOM 678 CA GLY A 48 5.110 15.847 3.999 1.00 0.00 C ATOM 679 C GLY A 48 5.807 14.501 3.987 1.00 0.00 C ATOM 680 O GLY A 48 6.293 14.055 2.947 1.00 0.00 O ATOM 0 H GLY A 48 3.450 15.543 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.257 16.337 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.570 16.484 4.755 1.00 0.00 H new ATOM 684 N HIS A 49 5.858 13.852 5.146 1.00 0.00 N ATOM 685 CA HIS A 49 6.502 12.549 5.265 1.00 0.00 C ATOM 686 C HIS A 49 6.036 11.610 4.156 1.00 0.00 C ATOM 687 O HIS A 49 6.690 10.608 3.862 1.00 0.00 O ATOM 688 CB HIS A 49 6.204 11.932 6.631 1.00 0.00 C ATOM 689 CG HIS A 49 4.763 12.025 7.029 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.351 12.459 8.271 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.634 11.738 6.339 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.031 12.433 8.329 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.572 12.000 7.169 1.00 0.00 N ATOM 0 H HIS A 49 5.461 14.207 6.016 1.00 0.00 H new ATOM 0 HA HIS A 49 7.578 12.692 5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.502 10.884 6.620 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.814 12.429 7.386 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.969 12.754 9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.579 11.371 5.325 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.430 12.717 9.180 1.00 0.00 H new ATOM 702 N CYS A 50 4.902 11.939 3.547 1.00 0.00 N ATOM 703 CA CYS A 50 4.348 11.124 2.472 1.00 0.00 C ATOM 704 C CYS A 50 4.941 11.523 1.125 1.00 0.00 C ATOM 705 O CYS A 50 5.300 10.667 0.316 1.00 0.00 O ATOM 706 CB CYS A 50 2.825 11.261 2.433 1.00 0.00 C ATOM 707 SG CYS A 50 1.952 10.120 3.530 1.00 0.00 S ATOM 0 H CYS A 50 4.349 12.764 3.779 1.00 0.00 H new ATOM 0 HA CYS A 50 4.607 10.084 2.668 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.556 12.283 2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.483 11.099 1.411 1.00 0.00 H new ATOM 0 HG CYS A 50 1.777 10.681 4.690 1.00 0.00 H new ATOM 713 N GLN A 51 5.040 12.827 0.891 1.00 0.00 N ATOM 714 CA GLN A 51 5.588 13.339 -0.360 1.00 0.00 C ATOM 715 C GLN A 51 7.070 13.002 -0.483 1.00 0.00 C ATOM 716 O GLN A 51 7.627 13.004 -1.581 1.00 0.00 O ATOM 717 CB GLN A 51 5.389 14.854 -0.446 1.00 0.00 C ATOM 718 CG GLN A 51 3.929 15.272 -0.518 1.00 0.00 C ATOM 719 CD GLN A 51 3.734 16.755 -0.268 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.695 17.525 -0.251 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.486 17.163 -0.071 1.00 0.00 N ATOM 0 H GLN A 51 4.748 13.548 1.550 1.00 0.00 H new ATOM 0 HA GLN A 51 5.056 12.862 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.850 15.323 0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.910 15.231 -1.326 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.530 15.017 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.356 14.705 0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.720 16.490 -0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.293 18.149 0.103 1.00 0.00 H new ATOM 730 N ARG A 52 7.702 12.711 0.649 1.00 0.00 N ATOM 731 CA ARG A 52 9.120 12.373 0.667 1.00 0.00 C ATOM 732 C ARG A 52 9.322 10.869 0.510 1.00 0.00 C ATOM 733 O ARG A 52 10.445 10.398 0.322 1.00 0.00 O ATOM 734 CB ARG A 52 9.764 12.851 1.970 1.00 0.00 C ATOM 735 CG ARG A 52 9.135 12.250 3.217 1.00 0.00 C ATOM 736 CD ARG A 52 9.822 10.955 3.618 1.00 0.00 C ATOM 737 NE ARG A 52 11.084 11.197 4.311 1.00 0.00 N ATOM 738 CZ ARG A 52 11.672 10.305 5.101 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.114 9.118 5.296 1.00 0.00 N ATOM 740 NH2 ARG A 52 12.820 10.599 5.697 1.00 0.00 N ATOM 0 H ARG A 52 7.255 12.702 1.566 1.00 0.00 H new ATOM 0 HA ARG A 52 9.598 12.877 -0.173 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.825 12.603 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.691 13.937 2.024 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.196 12.965 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.077 12.061 3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.159 10.378 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.006 10.352 2.729 1.00 0.00 H new ATOM 0 HE ARG A 52 11.539 12.100 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.232 8.888 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.567 8.435 5.903 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.253 11.511 5.549 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.270 9.913 6.303 1.00 0.00 H new ATOM 754 N LEU A 53 8.228 10.119 0.589 1.00 0.00 N ATOM 755 CA LEU A 53 8.285 8.667 0.456 1.00 0.00 C ATOM 756 C LEU A 53 7.998 8.240 -0.980 1.00 0.00 C ATOM 757 O LEU A 53 7.874 7.051 -1.274 1.00 0.00 O ATOM 758 CB LEU A 53 7.282 8.009 1.405 1.00 0.00 C ATOM 759 CG LEU A 53 7.386 6.490 1.543 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.733 6.097 2.130 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.251 5.953 2.403 1.00 0.00 C ATOM 0 H LEU A 53 7.291 10.492 0.744 1.00 0.00 H new ATOM 0 HA LEU A 53 9.292 8.342 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.402 8.453 2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.276 8.255 1.066 1.00 0.00 H new ATOM 0 HG LEU A 53 7.303 6.049 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.788 5.012 2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.531 6.447 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.847 6.549 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.341 4.870 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.302 6.402 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.296 6.201 1.941 1.00 0.00 H new ATOM 773 N THR A 54 7.895 9.219 -1.874 1.00 0.00 N ATOM 774 CA THR A 54 7.624 8.946 -3.280 1.00 0.00 C ATOM 775 C THR A 54 8.753 8.138 -3.910 1.00 0.00 C ATOM 776 O THR A 54 8.530 7.114 -4.556 1.00 0.00 O ATOM 777 CB THR A 54 7.431 10.248 -4.079 1.00 0.00 C ATOM 778 OG1 THR A 54 6.947 11.285 -3.217 1.00 0.00 O ATOM 779 CG2 THR A 54 6.456 10.040 -5.227 1.00 0.00 C ATOM 0 H THR A 54 7.995 10.209 -1.649 1.00 0.00 H new ATOM 0 HA THR A 54 6.701 8.367 -3.317 1.00 0.00 H new ATOM 0 HB THR A 54 8.396 10.540 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.706 11.757 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.336 10.974 -5.776 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.842 9.272 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.490 9.725 -4.832 1.00 0.00 H new ATOM 787 N PRO A 55 9.995 8.607 -3.719 1.00 0.00 N ATOM 788 CA PRO A 55 11.184 7.942 -4.261 1.00 0.00 C ATOM 789 C PRO A 55 11.473 6.616 -3.567 1.00 0.00 C ATOM 790 O PRO A 55 11.647 5.588 -4.222 1.00 0.00 O ATOM 791 CB PRO A 55 12.307 8.945 -3.986 1.00 0.00 C ATOM 792 CG PRO A 55 11.829 9.739 -2.819 1.00 0.00 C ATOM 793 CD PRO A 55 10.334 9.822 -2.959 1.00 0.00 C ATOM 0 HA PRO A 55 11.066 7.691 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.245 8.437 -3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.489 9.583 -4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.107 9.259 -1.880 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.276 10.733 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.840 9.839 -1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.029 10.725 -3.488 1.00 0.00 H new ATOM 801 N GLU A 56 11.521 6.645 -2.239 1.00 0.00 N ATOM 802 CA GLU A 56 11.789 5.444 -1.458 1.00 0.00 C ATOM 803 C GLU A 56 10.854 4.309 -1.867 1.00 0.00 C ATOM 804 O GLU A 56 11.280 3.164 -2.016 1.00 0.00 O ATOM 805 CB GLU A 56 11.633 5.735 0.036 1.00 0.00 C ATOM 806 CG GLU A 56 12.759 6.577 0.613 1.00 0.00 C ATOM 807 CD GLU A 56 12.437 8.059 0.614 1.00 0.00 C ATOM 808 OE1 GLU A 56 11.453 8.451 1.277 1.00 0.00 O ATOM 809 OE2 GLU A 56 13.167 8.826 -0.047 1.00 0.00 O ATOM 0 H GLU A 56 11.378 7.487 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 56 12.815 5.135 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.686 6.248 0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.582 4.791 0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.964 6.253 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.668 6.407 0.036 1.00 0.00 H new ATOM 816 N TRP A 57 9.580 4.636 -2.045 1.00 0.00 N ATOM 817 CA TRP A 57 8.584 3.645 -2.436 1.00 0.00 C ATOM 818 C TRP A 57 8.798 3.197 -3.877 1.00 0.00 C ATOM 819 O TRP A 57 8.800 2.002 -4.173 1.00 0.00 O ATOM 820 CB TRP A 57 7.174 4.215 -2.270 1.00 0.00 C ATOM 821 CG TRP A 57 6.104 3.166 -2.273 1.00 0.00 C ATOM 822 CD1 TRP A 57 5.030 3.092 -3.112 1.00 0.00 C ATOM 823 CD2 TRP A 57 6.006 2.041 -1.392 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.269 1.990 -2.807 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.847 1.328 -1.757 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.784 1.566 -0.334 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.450 0.167 -1.098 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.389 0.414 0.319 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.231 -0.276 -0.065 1.00 0.00 C ATOM 0 H TRP A 57 9.212 5.580 -1.925 1.00 0.00 H new ATOM 0 HA TRP A 57 8.696 2.778 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.123 4.773 -1.335 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.980 4.924 -3.075 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.811 3.797 -3.900 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.412 1.710 -3.285 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.679 2.090 -0.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.557 -0.365 -1.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 6.983 0.039 1.139 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.950 -1.174 0.464 1.00 0.00 H new ATOM 840 N LYS A 58 8.979 4.163 -4.772 1.00 0.00 N ATOM 841 CA LYS A 58 9.196 3.868 -6.183 1.00 0.00 C ATOM 842 C LYS A 58 10.339 2.873 -6.362 1.00 0.00 C ATOM 843 O LYS A 58 10.199 1.871 -7.063 1.00 0.00 O ATOM 844 CB LYS A 58 9.502 5.155 -6.953 1.00 0.00 C ATOM 845 CG LYS A 58 8.261 5.939 -7.344 1.00 0.00 C ATOM 846 CD LYS A 58 8.620 7.276 -7.970 1.00 0.00 C ATOM 847 CE LYS A 58 7.397 8.166 -8.123 1.00 0.00 C ATOM 848 NZ LYS A 58 7.744 9.491 -8.709 1.00 0.00 N ATOM 0 H LYS A 58 8.980 5.157 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 58 8.284 3.422 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.145 5.789 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.063 4.905 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.667 5.355 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.641 6.104 -6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.363 7.780 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.076 7.111 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.664 7.669 -8.758 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.929 8.311 -7.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.883 10.068 -8.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.425 9.977 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.167 9.355 -9.649 1.00 0.00 H new ATOM 862 N LYS A 59 11.469 3.156 -5.722 1.00 0.00 N ATOM 863 CA LYS A 59 12.635 2.285 -5.807 1.00 0.00 C ATOM 864 C LYS A 59 12.242 0.827 -5.591 1.00 0.00 C ATOM 865 O LYS A 59 12.493 -0.026 -6.442 1.00 0.00 O ATOM 866 CB LYS A 59 13.684 2.700 -4.774 1.00 0.00 C ATOM 867 CG LYS A 59 14.597 3.817 -5.249 1.00 0.00 C ATOM 868 CD LYS A 59 15.752 4.041 -4.287 1.00 0.00 C ATOM 869 CE LYS A 59 15.379 5.025 -3.188 1.00 0.00 C ATOM 870 NZ LYS A 59 16.577 5.512 -2.450 1.00 0.00 N ATOM 0 H LYS A 59 11.602 3.982 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 59 13.059 2.384 -6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.178 3.019 -3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.290 1.832 -4.515 1.00 0.00 H new ATOM 0 HG2 LYS A 59 14.987 3.574 -6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.023 4.738 -5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.046 3.090 -3.842 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.616 4.416 -4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.851 5.873 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.692 4.547 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.281 6.180 -1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.067 4.706 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.221 5.991 -3.111 1.00 0.00 H new ATOM 884 N ALA A 60 11.625 0.548 -4.448 1.00 0.00 N ATOM 885 CA ALA A 60 11.195 -0.806 -4.122 1.00 0.00 C ATOM 886 C ALA A 60 10.313 -1.382 -5.225 1.00 0.00 C ATOM 887 O ALA A 60 10.359 -2.578 -5.507 1.00 0.00 O ATOM 888 CB ALA A 60 10.456 -0.819 -2.792 1.00 0.00 C ATOM 0 H ALA A 60 11.412 1.242 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 60 12.083 -1.433 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.141 -1.836 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.117 -0.456 -2.005 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.580 -0.173 -2.856 1.00 0.00 H new ATOM 894 N ALA A 61 9.510 -0.522 -5.843 1.00 0.00 N ATOM 895 CA ALA A 61 8.618 -0.946 -6.916 1.00 0.00 C ATOM 896 C ALA A 61 9.408 -1.393 -8.142 1.00 0.00 C ATOM 897 O ALA A 61 9.003 -2.314 -8.852 1.00 0.00 O ATOM 898 CB ALA A 61 7.662 0.179 -7.283 1.00 0.00 C ATOM 0 H ALA A 61 9.459 0.472 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 61 8.039 -1.798 -6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.002 -0.151 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.066 0.449 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.232 1.046 -7.616 1.00 0.00 H new ATOM 904 N THR A 62 10.537 -0.735 -8.385 1.00 0.00 N ATOM 905 CA THR A 62 11.382 -1.063 -9.526 1.00 0.00 C ATOM 906 C THR A 62 12.011 -2.442 -9.366 1.00 0.00 C ATOM 907 O THR A 62 12.017 -3.244 -10.299 1.00 0.00 O ATOM 908 CB THR A 62 12.500 -0.020 -9.715 1.00 0.00 C ATOM 909 OG1 THR A 62 11.934 1.291 -9.826 1.00 0.00 O ATOM 910 CG2 THR A 62 13.323 -0.329 -10.957 1.00 0.00 C ATOM 0 H THR A 62 10.887 0.029 -7.806 1.00 0.00 H new ATOM 0 HA THR A 62 10.739 -1.060 -10.406 1.00 0.00 H new ATOM 0 HB THR A 62 13.155 -0.060 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.651 1.948 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.106 0.421 -11.070 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.776 -1.315 -10.857 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.677 -0.314 -11.835 1.00 0.00 H new ATOM 918 N ALA A 63 12.539 -2.712 -8.177 1.00 0.00 N ATOM 919 CA ALA A 63 13.169 -3.996 -7.894 1.00 0.00 C ATOM 920 C ALA A 63 12.124 -5.093 -7.723 1.00 0.00 C ATOM 921 O ALA A 63 12.296 -6.211 -8.211 1.00 0.00 O ATOM 922 CB ALA A 63 14.039 -3.894 -6.650 1.00 0.00 C ATOM 0 H ALA A 63 12.543 -2.059 -7.394 1.00 0.00 H new ATOM 0 HA ALA A 63 13.799 -4.260 -8.743 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.503 -4.860 -6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.814 -3.145 -6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.424 -3.604 -5.798 1.00 0.00 H new ATOM 928 N LEU A 64 11.040 -4.769 -7.026 1.00 0.00 N ATOM 929 CA LEU A 64 9.967 -5.728 -6.790 1.00 0.00 C ATOM 930 C LEU A 64 8.948 -5.695 -7.924 1.00 0.00 C ATOM 931 O LEU A 64 7.848 -6.235 -7.802 1.00 0.00 O ATOM 932 CB LEU A 64 9.274 -5.430 -5.458 1.00 0.00 C ATOM 933 CG LEU A 64 10.195 -5.204 -4.259 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.475 -4.416 -3.175 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.695 -6.533 -3.712 1.00 0.00 C ATOM 0 H LEU A 64 10.881 -3.849 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 64 10.406 -6.725 -6.750 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.652 -4.544 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.605 -6.259 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 64 11.056 -4.624 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.146 -4.264 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.167 -3.449 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.596 -4.970 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.349 -6.352 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.846 -7.139 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.249 -7.061 -4.488 1.00 0.00 H new ATOM 947 N LYS A 65 9.322 -5.061 -9.030 1.00 0.00 N ATOM 948 CA LYS A 65 8.443 -4.960 -10.189 1.00 0.00 C ATOM 949 C LYS A 65 7.879 -6.326 -10.564 1.00 0.00 C ATOM 950 O LYS A 65 6.666 -6.492 -10.696 1.00 0.00 O ATOM 951 CB LYS A 65 9.201 -4.366 -11.379 1.00 0.00 C ATOM 952 CG LYS A 65 8.575 -4.693 -12.724 1.00 0.00 C ATOM 953 CD LYS A 65 9.299 -3.992 -13.861 1.00 0.00 C ATOM 954 CE LYS A 65 8.698 -2.624 -14.144 1.00 0.00 C ATOM 955 NZ LYS A 65 9.461 -1.889 -15.191 1.00 0.00 N ATOM 0 H LYS A 65 10.229 -4.609 -9.148 1.00 0.00 H new ATOM 0 HA LYS A 65 7.614 -4.302 -9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.250 -3.283 -11.264 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.227 -4.734 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.600 -5.771 -12.885 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.527 -4.395 -12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.354 -3.882 -13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.248 -4.606 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.663 -2.741 -14.464 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.683 -2.037 -13.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.798 -1.392 -15.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.094 -1.198 -14.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.025 -2.563 -15.747 1.00 0.00 H new ATOM 969 N ASP A 66 8.765 -7.302 -10.733 1.00 0.00 N ATOM 970 CA ASP A 66 8.354 -8.655 -11.090 1.00 0.00 C ATOM 971 C ASP A 66 8.266 -9.540 -9.851 1.00 0.00 C ATOM 972 O ASP A 66 7.649 -10.605 -9.879 1.00 0.00 O ATOM 973 CB ASP A 66 9.335 -9.260 -12.095 1.00 0.00 C ATOM 974 CG ASP A 66 9.037 -8.836 -13.520 1.00 0.00 C ATOM 975 OD1 ASP A 66 8.179 -9.477 -14.162 1.00 0.00 O ATOM 976 OD2 ASP A 66 9.663 -7.865 -13.994 1.00 0.00 O ATOM 0 H ASP A 66 9.772 -7.181 -10.628 1.00 0.00 H new ATOM 0 HA ASP A 66 7.366 -8.600 -11.547 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.350 -8.960 -11.834 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.297 -10.347 -12.027 1.00 0.00 H new ATOM 981 N VAL A 67 8.888 -9.093 -8.764 1.00 0.00 N ATOM 982 CA VAL A 67 8.879 -9.845 -7.515 1.00 0.00 C ATOM 983 C VAL A 67 7.584 -9.617 -6.745 1.00 0.00 C ATOM 984 O VAL A 67 6.794 -10.541 -6.551 1.00 0.00 O ATOM 985 CB VAL A 67 10.071 -9.457 -6.619 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.425 -10.599 -5.678 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.270 -9.064 -7.468 1.00 0.00 C ATOM 0 H VAL A 67 9.404 -8.214 -8.724 1.00 0.00 H new ATOM 0 HA VAL A 67 8.960 -10.899 -7.780 1.00 0.00 H new ATOM 0 HB VAL A 67 9.785 -8.596 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.269 -10.307 -5.053 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.567 -10.829 -5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.693 -11.481 -6.260 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.102 -8.793 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.560 -9.904 -8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.008 -8.213 -8.096 1.00 0.00 H new ATOM 997 N VAL A 68 7.370 -8.380 -6.309 1.00 0.00 N ATOM 998 CA VAL A 68 6.169 -8.029 -5.561 1.00 0.00 C ATOM 999 C VAL A 68 5.495 -6.796 -6.151 1.00 0.00 C ATOM 1000 O VAL A 68 6.100 -5.727 -6.242 1.00 0.00 O ATOM 1001 CB VAL A 68 6.488 -7.766 -4.077 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.250 -7.271 -3.344 1.00 0.00 C ATOM 1003 CG2 VAL A 68 7.040 -9.022 -3.421 1.00 0.00 C ATOM 0 H VAL A 68 8.014 -7.603 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 68 5.491 -8.880 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 68 7.250 -6.989 -4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.495 -7.091 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.903 -6.344 -3.801 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.464 -8.023 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.260 -8.818 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.303 -9.822 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.954 -9.327 -3.931 1.00 0.00 H new ATOM 1013 N LYS A 69 4.237 -6.950 -6.551 1.00 0.00 N ATOM 1014 CA LYS A 69 3.478 -5.849 -7.131 1.00 0.00 C ATOM 1015 C LYS A 69 3.330 -4.704 -6.134 1.00 0.00 C ATOM 1016 O LYS A 69 2.510 -4.768 -5.218 1.00 0.00 O ATOM 1017 CB LYS A 69 2.096 -6.333 -7.576 1.00 0.00 C ATOM 1018 CG LYS A 69 2.130 -7.227 -8.804 1.00 0.00 C ATOM 1019 CD LYS A 69 1.999 -6.420 -10.084 1.00 0.00 C ATOM 1020 CE LYS A 69 2.280 -7.273 -11.312 1.00 0.00 C ATOM 1021 NZ LYS A 69 1.135 -8.168 -11.638 1.00 0.00 N ATOM 0 H LYS A 69 3.722 -7.828 -6.484 1.00 0.00 H new ATOM 0 HA LYS A 69 4.025 -5.483 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.629 -6.876 -6.755 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.467 -5.468 -7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.064 -7.789 -8.821 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.321 -7.955 -8.748 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.994 -6.003 -10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.692 -5.579 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.489 -6.626 -12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.173 -7.874 -11.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.365 -8.733 -12.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.951 -8.803 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.288 -7.594 -11.826 1.00 0.00 H new ATOM 1035 N VAL A 70 4.128 -3.657 -6.318 1.00 0.00 N ATOM 1036 CA VAL A 70 4.084 -2.498 -5.436 1.00 0.00 C ATOM 1037 C VAL A 70 3.255 -1.374 -6.047 1.00 0.00 C ATOM 1038 O VAL A 70 3.703 -0.683 -6.961 1.00 0.00 O ATOM 1039 CB VAL A 70 5.499 -1.970 -5.132 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.430 -0.738 -4.242 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.345 -3.057 -4.487 1.00 0.00 C ATOM 0 H VAL A 70 4.813 -3.588 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 70 3.619 -2.825 -4.506 1.00 0.00 H new ATOM 0 HB VAL A 70 5.971 -1.683 -6.072 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.439 -0.379 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.862 0.044 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.939 -0.994 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.341 -2.667 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.878 -3.376 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.422 -3.908 -5.164 1.00 0.00 H new ATOM 1051 N GLY A 71 2.041 -1.195 -5.534 1.00 0.00 N ATOM 1052 CA GLY A 71 1.167 -0.153 -6.041 1.00 0.00 C ATOM 1053 C GLY A 71 1.251 1.122 -5.225 1.00 0.00 C ATOM 1054 O GLY A 71 2.260 1.381 -4.569 1.00 0.00 O ATOM 0 H GLY A 71 1.647 -1.753 -4.776 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.428 0.064 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.138 -0.514 -6.041 1.00 0.00 H new ATOM 1058 N ALA A 72 0.190 1.920 -5.266 1.00 0.00 N ATOM 1059 CA ALA A 72 0.148 3.174 -4.525 1.00 0.00 C ATOM 1060 C ALA A 72 -1.249 3.785 -4.558 1.00 0.00 C ATOM 1061 O ALA A 72 -1.747 4.164 -5.619 1.00 0.00 O ATOM 1062 CB ALA A 72 1.168 4.154 -5.086 1.00 0.00 C ATOM 0 H ALA A 72 -0.653 1.720 -5.805 1.00 0.00 H new ATOM 0 HA ALA A 72 0.399 2.961 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.125 5.086 -4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.167 3.726 -5.004 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.943 4.353 -6.134 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.878 3.878 -3.391 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.218 4.443 -3.287 1.00 0.00 C ATOM 1070 C VAL A 73 -3.201 5.757 -2.513 1.00 0.00 C ATOM 1071 O VAL A 73 -2.750 5.810 -1.370 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.187 3.466 -2.597 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.358 4.219 -1.984 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.675 2.415 -3.582 1.00 0.00 C ATOM 0 H VAL A 73 -1.481 3.569 -2.504 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.564 4.628 -4.304 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.653 2.958 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.032 3.512 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.987 4.930 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.895 4.756 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.359 1.733 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.193 2.903 -4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.823 1.855 -3.968 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.697 6.816 -3.145 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.739 8.131 -2.516 1.00 0.00 C ATOM 1086 C ASN A 74 -4.774 8.165 -1.396 1.00 0.00 C ATOM 1087 O ASN A 74 -5.931 8.524 -1.617 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.060 9.207 -3.556 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.267 10.572 -2.930 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.972 10.779 -1.753 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.777 11.512 -3.717 1.00 0.00 N ATOM 0 H ASN A 74 -4.075 6.789 -4.092 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.758 8.332 -2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.248 9.262 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.958 8.922 -4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.939 12.450 -3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.007 11.296 -4.687 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.350 7.789 -0.194 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.240 7.780 0.961 1.00 0.00 C ATOM 1100 C ALA A 75 -6.130 9.018 0.979 1.00 0.00 C ATOM 1101 O ALA A 75 -7.313 8.939 1.310 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.433 7.688 2.248 1.00 0.00 C ATOM 0 H ALA A 75 -3.396 7.487 0.005 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.884 6.904 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.110 7.682 3.102 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.846 6.770 2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.765 8.546 2.321 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.553 10.160 0.623 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.294 11.416 0.599 1.00 0.00 C ATOM 1110 C ASP A 76 -7.442 11.350 -0.404 1.00 0.00 C ATOM 1111 O ASP A 76 -8.555 11.791 -0.120 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.361 12.577 0.249 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.075 13.914 0.255 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.631 14.285 1.310 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -6.077 14.591 -0.795 1.00 0.00 O ATOM 0 H ASP A 76 -4.574 10.242 0.347 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.711 11.582 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.537 12.605 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.925 12.405 -0.735 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.163 10.796 -1.579 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.171 10.671 -2.625 1.00 0.00 C ATOM 1122 C LYS A 77 -9.034 9.433 -2.404 1.00 0.00 C ATOM 1123 O LYS A 77 -10.252 9.531 -2.255 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.503 10.602 -4.000 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.452 10.207 -5.119 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.706 9.598 -6.294 1.00 0.00 C ATOM 1127 CE LYS A 77 -7.084 10.669 -7.176 1.00 0.00 C ATOM 1128 NZ LYS A 77 -8.118 11.506 -7.845 1.00 0.00 N ATOM 0 H LYS A 77 -6.246 10.426 -1.831 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.813 11.551 -2.584 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.066 11.573 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.683 9.885 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.184 9.492 -4.742 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.006 11.084 -5.454 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.927 8.931 -5.925 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.391 8.991 -6.886 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.436 11.305 -6.573 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.454 10.198 -7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.714 11.940 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.929 10.911 -8.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.435 12.253 -7.194 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.394 8.268 -2.384 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.104 7.010 -2.179 1.00 0.00 C ATOM 1144 C HIS A 78 -9.360 6.766 -0.695 1.00 0.00 C ATOM 1145 O HIS A 78 -9.241 5.640 -0.212 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.304 5.847 -2.768 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.951 6.034 -4.211 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -6.786 5.831 -4.871 1.00 0.00 N flip ATOM 1149 CD2 HIS A 78 -8.851 6.483 -5.154 1.00 0.00 C flip ATOM 1150 CE1 HIS A 78 -7.002 6.157 -6.187 1.00 0.00 C flip ATOM 1151 NE2 HIS A 78 -8.256 6.546 -6.332 1.00 0.00 N flip ATOM 0 H HIS A 78 -7.386 8.169 -2.507 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.065 7.076 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.388 5.718 -2.192 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.880 4.928 -2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -9.881 6.743 -4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.266 6.104 -6.976 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -8.691 6.844 -7.205 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.711 7.829 0.023 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.982 7.729 1.452 1.00 0.00 C ATOM 1162 C GLN A 79 -10.750 6.451 1.773 1.00 0.00 C ATOM 1163 O GLN A 79 -10.516 5.816 2.801 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.775 8.948 1.928 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.918 10.185 2.143 1.00 0.00 C ATOM 1166 CD GLN A 79 -9.127 10.129 3.435 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -8.493 9.120 3.745 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -9.159 11.216 4.197 1.00 0.00 N ATOM 0 H GLN A 79 -9.814 8.768 -0.362 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.027 7.698 1.976 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.550 9.176 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.281 8.700 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.230 10.296 1.305 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.557 11.068 2.150 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.698 12.030 3.902 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.645 11.237 5.078 1.00 0.00 H new ATOM 1177 N SER A 80 -11.667 6.079 0.886 1.00 0.00 N ATOM 1178 CA SER A 80 -12.473 4.879 1.077 1.00 0.00 C ATOM 1179 C SER A 80 -11.585 3.646 1.217 1.00 0.00 C ATOM 1180 O SER A 80 -11.721 2.873 2.166 1.00 0.00 O ATOM 1181 CB SER A 80 -13.439 4.695 -0.095 1.00 0.00 C ATOM 1182 OG SER A 80 -14.503 5.629 -0.030 1.00 0.00 O ATOM 0 H SER A 80 -11.870 6.591 0.028 1.00 0.00 H new ATOM 0 HA SER A 80 -13.047 4.999 1.996 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.902 4.816 -1.036 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.840 3.681 -0.085 1.00 0.00 H new ATOM 0 HG SER A 80 -15.105 5.492 -0.791 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.676 3.468 0.265 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.765 2.329 0.280 1.00 0.00 C ATOM 1190 C LEU A 81 -8.974 2.282 1.583 1.00 0.00 C ATOM 1191 O LEU A 81 -8.922 1.252 2.254 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.806 2.402 -0.910 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.428 2.178 -2.288 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.383 2.345 -3.380 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.068 0.799 -2.367 1.00 0.00 C ATOM 0 H LEU A 81 -10.550 4.098 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.359 1.419 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.326 3.381 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.020 1.661 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.205 2.927 -2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.845 2.182 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.971 3.353 -3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.583 1.620 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.506 0.657 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.310 0.035 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.847 0.716 -1.610 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.359 3.407 1.938 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.581 3.473 3.160 1.00 0.00 C ATOM 1209 C GLY A 82 -8.416 3.201 4.395 1.00 0.00 C ATOM 1210 O GLY A 82 -8.147 2.260 5.140 1.00 0.00 O ATOM 0 H GLY A 82 -8.386 4.273 1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.768 2.749 3.109 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.125 4.459 3.244 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.434 4.028 4.614 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.295 3.856 5.770 1.00 0.00 C ATOM 1216 C GLY A 83 -10.956 2.493 5.802 1.00 0.00 C ATOM 1217 O GLY A 83 -11.181 1.930 6.873 1.00 0.00 O ATOM 0 H GLY A 83 -9.678 4.814 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.710 3.994 6.679 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.063 4.629 5.765 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.270 1.961 4.625 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.912 0.656 4.523 1.00 0.00 C ATOM 1223 C GLN A 84 -11.052 -0.425 5.168 1.00 0.00 C ATOM 1224 O GLN A 84 -11.524 -1.532 5.434 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.177 0.307 3.058 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.801 -1.065 2.862 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.538 -1.189 1.543 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.768 -1.167 1.501 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.787 -1.320 0.455 1.00 0.00 N ATOM 0 H GLN A 84 -11.090 2.414 3.729 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.862 0.704 5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.835 1.061 2.627 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.238 0.352 2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.021 -1.825 2.911 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.493 -1.265 3.680 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.770 -1.333 0.536 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.227 -1.407 -0.461 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.789 -0.099 5.418 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.862 -1.044 6.029 1.00 0.00 C ATOM 1240 C TYR A 85 -8.534 -0.635 7.462 1.00 0.00 C ATOM 1241 O TYR A 85 -8.411 -1.480 8.348 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.576 -1.134 5.206 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.714 -1.975 3.957 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.619 -1.630 2.960 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.941 -3.115 3.774 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.750 -2.396 1.818 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.064 -3.886 2.634 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.970 -3.523 1.659 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.096 -4.289 0.523 1.00 0.00 O ATOM 0 H TYR A 85 -9.383 0.813 5.207 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.341 -2.023 6.050 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.264 -0.128 4.924 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.784 -1.551 5.829 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.230 -0.748 3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.232 -3.403 4.536 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.459 -2.114 1.054 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.454 -4.768 2.507 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.599 -3.871 -0.210 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.394 0.669 7.682 1.00 0.00 N ATOM 1260 CA GLY A 86 -8.082 1.168 9.008 1.00 0.00 C ATOM 1261 C GLY A 86 -6.960 2.187 8.995 1.00 0.00 C ATOM 1262 O GLY A 86 -6.237 2.337 9.980 1.00 0.00 O ATOM 0 H GLY A 86 -8.491 1.388 6.965 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.974 1.620 9.442 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.803 0.333 9.651 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.812 2.888 7.875 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.768 3.897 7.737 1.00 0.00 C ATOM 1268 C VAL A 87 -6.161 5.192 8.439 1.00 0.00 C ATOM 1269 O VAL A 87 -7.147 5.832 8.075 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.471 4.198 6.256 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.345 5.213 6.133 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.128 2.917 5.511 1.00 0.00 C ATOM 0 H VAL A 87 -7.402 2.776 7.050 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.871 3.491 8.204 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.365 4.626 5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.149 5.413 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.634 6.139 6.631 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.444 4.815 6.600 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.921 3.148 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.248 2.458 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.969 2.226 5.570 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.382 5.573 9.446 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.649 6.793 10.199 1.00 0.00 C ATOM 1284 C GLN A 88 -4.485 7.771 10.080 1.00 0.00 C ATOM 1285 O GLN A 88 -4.680 8.986 10.074 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.905 6.463 11.671 1.00 0.00 C ATOM 1287 CG GLN A 88 -7.300 5.922 11.938 1.00 0.00 C ATOM 1288 CD GLN A 88 -7.755 6.161 13.365 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -8.029 7.294 13.759 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -7.838 5.091 14.147 1.00 0.00 N ATOM 0 H GLN A 88 -4.561 5.055 9.759 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.539 7.262 9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.170 5.730 12.004 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.752 7.362 12.268 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -8.005 6.392 11.252 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.317 4.852 11.729 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -7.601 4.170 13.778 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.139 5.190 15.117 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.272 7.233 9.988 1.00 0.00 N ATOM 1300 CA GLY A 89 -2.095 8.073 9.871 1.00 0.00 C ATOM 1301 C GLY A 89 -1.154 7.604 8.779 1.00 0.00 C ATOM 1302 O GLY A 89 -0.716 6.454 8.778 1.00 0.00 O ATOM 0 H GLY A 89 -3.084 6.230 9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.403 9.098 9.665 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.565 8.085 10.823 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.843 8.497 7.845 1.00 0.00 N ATOM 1307 CA PHE A 90 0.050 8.168 6.740 1.00 0.00 C ATOM 1308 C PHE A 90 1.454 8.710 6.995 1.00 0.00 C ATOM 1309 O PHE A 90 1.661 9.609 7.811 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.497 8.734 5.428 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.964 9.054 5.479 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.837 8.251 6.194 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.469 10.158 4.811 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.187 8.543 6.242 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.818 10.455 4.855 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.678 9.647 5.573 1.00 0.00 C ATOM 0 H PHE A 90 -1.196 9.454 7.831 1.00 0.00 H new ATOM 0 HA PHE A 90 0.107 7.082 6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.055 9.638 5.173 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.318 8.015 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.459 7.387 6.720 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.801 10.794 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.858 7.908 6.802 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.199 11.318 4.329 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.732 9.878 5.611 1.00 0.00 H new ATOM 1326 N PRO A 91 2.442 8.151 6.281 1.00 0.00 N ATOM 1327 CA PRO A 91 2.208 7.080 5.308 1.00 0.00 C ATOM 1328 C PRO A 91 1.814 5.766 5.975 1.00 0.00 C ATOM 1329 O PRO A 91 2.255 5.464 7.084 1.00 0.00 O ATOM 1330 CB PRO A 91 3.560 6.938 4.604 1.00 0.00 C ATOM 1331 CG PRO A 91 4.556 7.433 5.595 1.00 0.00 C ATOM 1332 CD PRO A 91 3.865 8.520 6.370 1.00 0.00 C ATOM 0 HA PRO A 91 1.384 7.315 4.634 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.756 5.902 4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.591 7.523 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.881 6.629 6.256 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.446 7.815 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.207 8.556 7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.053 9.503 5.938 1.00 0.00 H new ATOM 1340 N THR A 92 0.980 4.988 5.292 1.00 0.00 N ATOM 1341 CA THR A 92 0.526 3.707 5.819 1.00 0.00 C ATOM 1342 C THR A 92 0.719 2.593 4.796 1.00 0.00 C ATOM 1343 O THR A 92 -0.040 2.484 3.833 1.00 0.00 O ATOM 1344 CB THR A 92 -0.958 3.762 6.227 1.00 0.00 C ATOM 1345 OG1 THR A 92 -1.094 4.423 7.490 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.547 2.362 6.316 1.00 0.00 C ATOM 0 H THR A 92 0.605 5.223 4.373 1.00 0.00 H new ATOM 0 HA THR A 92 1.130 3.496 6.701 1.00 0.00 H new ATOM 0 HB THR A 92 -1.501 4.320 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.713 5.324 7.430 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.596 2.426 6.606 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.468 1.872 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.000 1.784 7.060 1.00 0.00 H new ATOM 1354 N ILE A 93 1.737 1.767 5.013 1.00 0.00 N ATOM 1355 CA ILE A 93 2.028 0.660 4.110 1.00 0.00 C ATOM 1356 C ILE A 93 1.326 -0.616 4.562 1.00 0.00 C ATOM 1357 O ILE A 93 1.326 -0.952 5.747 1.00 0.00 O ATOM 1358 CB ILE A 93 3.542 0.394 4.015 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.284 1.675 3.630 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.823 -0.711 3.008 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.724 1.701 4.092 1.00 0.00 C ATOM 0 H ILE A 93 2.374 1.843 5.806 1.00 0.00 H new ATOM 0 HA ILE A 93 1.656 0.948 3.127 1.00 0.00 H new ATOM 0 HB ILE A 93 3.901 0.069 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.256 1.790 2.546 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.759 2.531 4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.897 -0.888 2.952 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.321 -1.626 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.453 -0.412 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.188 2.638 3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.759 1.618 5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.264 0.865 3.647 1.00 0.00 H new ATOM 1373 N LYS A 94 0.729 -1.325 3.610 1.00 0.00 N ATOM 1374 CA LYS A 94 0.025 -2.567 3.908 1.00 0.00 C ATOM 1375 C LYS A 94 0.492 -3.691 2.988 1.00 0.00 C ATOM 1376 O LYS A 94 0.649 -3.494 1.783 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.485 -2.369 3.762 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.123 -1.665 4.947 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.331 -2.615 6.114 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.349 -2.068 7.104 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.505 -2.958 8.287 1.00 0.00 N ATOM 0 H LYS A 94 0.719 -1.061 2.625 1.00 0.00 H new ATOM 0 HA LYS A 94 0.251 -2.846 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.682 -1.792 2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.959 -3.341 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.491 -0.834 5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.081 -1.241 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.668 -3.582 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.381 -2.782 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.039 -1.077 7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.312 -1.952 6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.350 -2.677 8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.609 -3.943 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.665 -2.877 8.895 1.00 0.00 H new ATOM 1395 N ILE A 95 0.711 -4.868 3.564 1.00 0.00 N ATOM 1396 CA ILE A 95 1.157 -6.023 2.795 1.00 0.00 C ATOM 1397 C ILE A 95 -0.004 -6.965 2.494 1.00 0.00 C ATOM 1398 O ILE A 95 -0.828 -7.250 3.364 1.00 0.00 O ATOM 1399 CB ILE A 95 2.257 -6.804 3.538 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.513 -5.942 3.685 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.578 -8.097 2.804 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.423 -6.387 4.810 1.00 0.00 C ATOM 0 H ILE A 95 0.587 -5.047 4.560 1.00 0.00 H new ATOM 0 HA ILE A 95 1.564 -5.640 1.859 1.00 0.00 H new ATOM 0 HB ILE A 95 1.893 -7.056 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.070 -5.963 2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.216 -4.907 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.357 -8.637 3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.682 -8.715 2.746 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.925 -7.867 1.797 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.293 -5.731 4.856 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.883 -6.339 5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.750 -7.411 4.630 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.062 -7.447 1.257 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.121 -8.359 0.841 1.00 0.00 C ATOM 1416 C PHE A 96 -0.549 -9.722 0.464 1.00 0.00 C ATOM 1417 O PHE A 96 0.374 -9.818 -0.343 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.892 -7.771 -0.343 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.856 -6.687 0.047 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.395 -5.447 0.457 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.223 -6.909 0.004 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.279 -4.447 0.816 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.112 -5.913 0.362 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.639 -4.681 0.770 1.00 0.00 C ATOM 0 H PHE A 96 0.612 -7.221 0.525 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.803 -8.492 1.681 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.181 -7.371 -1.066 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.439 -8.570 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.332 -5.259 0.497 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.598 -7.871 -0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.906 -3.484 1.132 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.175 -6.098 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.332 -3.902 1.053 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.105 -10.775 1.056 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.638 -12.119 0.772 1.00 0.00 C ATOM 1436 C GLY A 97 -1.589 -13.184 1.281 1.00 0.00 C ATOM 1437 O GLY A 97 -2.517 -13.583 0.578 1.00 0.00 O ATOM 0 H GLY A 97 -1.871 -10.721 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.509 -12.236 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.342 -12.264 1.228 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.357 -13.646 2.505 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.201 -14.670 3.107 1.00 0.00 C ATOM 1443 C ALA A 98 -3.677 -14.390 2.845 1.00 0.00 C ATOM 1444 O ALA A 98 -4.341 -15.134 2.125 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.936 -14.760 4.603 1.00 0.00 C ATOM 0 H ALA A 98 -0.592 -13.327 3.099 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.953 -15.626 2.647 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.573 -15.529 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.890 -15.016 4.772 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.154 -13.799 5.070 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.183 -13.312 3.435 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.582 -12.934 3.266 1.00 0.00 C ATOM 1453 C ASN A 99 -5.701 -11.616 2.507 1.00 0.00 C ATOM 1454 O ASN A 99 -5.581 -10.538 3.090 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.268 -12.815 4.629 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.778 -12.742 4.511 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.351 -13.116 3.488 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.430 -12.259 5.562 1.00 0.00 N ATOM 0 H ASN A 99 -3.646 -12.685 4.034 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.076 -13.713 2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.995 -13.671 5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.903 -11.924 5.140 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.447 -12.186 5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.914 -11.961 6.390 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.939 -11.710 1.204 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.078 -10.526 0.364 1.00 0.00 C ATOM 1467 C LYS A 100 -7.136 -9.582 0.924 1.00 0.00 C ATOM 1468 O LYS A 100 -7.161 -8.397 0.595 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.445 -10.930 -1.066 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.246 -11.310 -1.918 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.249 -10.168 -2.017 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.229 -10.413 -3.119 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.336 -11.562 -2.802 1.00 0.00 N ATOM 0 H LYS A 100 -6.040 -12.594 0.706 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.121 -10.005 0.354 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.136 -11.772 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.972 -10.104 -1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.757 -12.185 -1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.582 -11.589 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.780 -9.236 -2.212 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.735 -10.049 -1.063 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.748 -10.605 -4.058 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.628 -9.515 -3.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.735 -11.772 -3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.736 -11.321 -1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.912 -12.397 -2.572 1.00 0.00 H new ATOM 1487 N ASN A 101 -8.008 -10.115 1.773 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.069 -9.319 2.380 1.00 0.00 C ATOM 1489 C ASN A 101 -8.563 -8.599 3.626 1.00 0.00 C ATOM 1490 O ASN A 101 -9.073 -7.540 3.996 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.261 -10.208 2.741 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.224 -10.382 1.582 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -11.683 -9.405 0.991 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.534 -11.630 1.252 1.00 0.00 N ATOM 0 H ASN A 101 -8.001 -11.095 2.057 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.389 -8.572 1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.899 -11.186 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.791 -9.774 3.589 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -12.177 -11.809 0.480 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -11.129 -12.410 1.770 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.556 -9.179 4.271 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.979 -8.593 5.474 1.00 0.00 C ATOM 1503 C LYS A 102 -5.455 -8.620 5.415 1.00 0.00 C ATOM 1504 O LYS A 102 -4.813 -9.607 5.777 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.465 -9.343 6.716 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.963 -9.591 6.729 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.395 -10.336 7.981 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.679 -11.118 7.750 1.00 0.00 C ATOM 1509 NZ LYS A 102 -11.887 -10.304 8.060 1.00 0.00 N ATOM 0 H LYS A 102 -7.123 -10.055 3.980 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.305 -7.555 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.946 -10.300 6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.192 -8.773 7.604 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.491 -8.639 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.245 -10.166 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.603 -11.018 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.542 -9.626 8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.721 -11.449 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.675 -12.014 8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.741 -10.872 7.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.860 -10.009 9.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.904 -9.462 7.450 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.859 -7.511 4.950 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.404 -7.383 4.835 1.00 0.00 C ATOM 1525 C PRO A 103 -2.720 -7.298 6.196 1.00 0.00 C ATOM 1526 O PRO A 103 -3.383 -7.253 7.231 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.223 -6.074 4.063 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.456 -5.290 4.353 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.562 -6.298 4.502 1.00 0.00 C ATOM 0 HA PRO A 103 -2.956 -8.248 4.346 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.330 -5.542 4.390 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.112 -6.257 2.994 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.339 -4.701 5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.672 -4.590 3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.306 -5.973 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.086 -6.462 3.560 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.391 -7.276 6.185 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.618 -7.197 7.419 1.00 0.00 C ATOM 1539 C GLU A 104 -0.033 -5.800 7.605 1.00 0.00 C ATOM 1540 O GLU A 104 0.147 -5.057 6.640 1.00 0.00 O ATOM 1541 CB GLU A 104 0.505 -8.236 7.411 1.00 0.00 C ATOM 1542 CG GLU A 104 0.007 -9.671 7.382 1.00 0.00 C ATOM 1543 CD GLU A 104 -0.670 -10.080 8.676 1.00 0.00 C ATOM 1544 OE1 GLU A 104 -0.084 -9.840 9.753 1.00 0.00 O ATOM 1545 OE2 GLU A 104 -1.785 -10.639 8.612 1.00 0.00 O ATOM 0 H GLU A 104 -0.827 -7.312 5.336 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.289 -7.405 8.252 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.142 -8.064 6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.126 -8.094 8.295 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.694 -9.792 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 104 0.846 -10.339 7.188 1.00 0.00 H new ATOM 1552 N ASP A 105 0.261 -5.450 8.853 1.00 0.00 N ATOM 1553 CA ASP A 105 0.826 -4.143 9.167 1.00 0.00 C ATOM 1554 C ASP A 105 2.306 -4.089 8.802 1.00 0.00 C ATOM 1555 O ASP A 105 3.148 -4.661 9.495 1.00 0.00 O ATOM 1556 CB ASP A 105 0.642 -3.828 10.652 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.721 -4.245 11.168 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.719 -3.588 10.805 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -0.790 -5.228 11.934 1.00 0.00 O ATOM 0 H ASP A 105 0.117 -6.053 9.663 1.00 0.00 H new ATOM 0 HA ASP A 105 0.297 -3.394 8.577 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.416 -4.337 11.227 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.776 -2.758 10.813 1.00 0.00 H new ATOM 1564 N TYR A 106 2.616 -3.400 7.710 1.00 0.00 N ATOM 1565 CA TYR A 106 3.994 -3.274 7.251 1.00 0.00 C ATOM 1566 C TYR A 106 4.904 -2.799 8.380 1.00 0.00 C ATOM 1567 O TYR A 106 4.685 -1.736 8.961 1.00 0.00 O ATOM 1568 CB TYR A 106 4.075 -2.302 6.073 1.00 0.00 C ATOM 1569 CG TYR A 106 5.470 -2.145 5.512 1.00 0.00 C ATOM 1570 CD1 TYR A 106 5.938 -2.991 4.513 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.320 -1.150 5.979 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.213 -2.851 3.999 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.596 -1.003 5.469 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.037 -1.856 4.479 1.00 0.00 C ATOM 1575 OH TYR A 106 9.307 -1.713 3.968 1.00 0.00 O ATOM 0 H TYR A 106 1.931 -2.920 7.126 1.00 0.00 H new ATOM 0 HA TYR A 106 4.332 -4.258 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.411 -2.648 5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.709 -1.326 6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.295 -3.770 4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.978 -0.480 6.754 1.00 0.00 H new ATOM 0 HE1 TYR A 106 7.562 -3.518 3.225 1.00 0.00 H new ATOM 0 HE2 TYR A 106 8.244 -0.225 5.844 1.00 0.00 H new ATOM 0 HH TYR A 106 9.756 -0.965 4.413 1.00 0.00 H new ATOM 1654 N GLY A 112 13.380 2.452 0.073 1.00 0.00 N ATOM 1655 CA GLY A 112 13.390 1.568 -1.077 1.00 0.00 C ATOM 1656 C GLY A 112 14.129 0.273 -0.807 1.00 0.00 C ATOM 1657 O GLY A 112 13.781 -0.773 -1.354 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.364 1.343 -1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.855 2.079 -1.920 1.00 0.00 H new ATOM 1661 N GLU A 113 15.153 0.343 0.038 1.00 0.00 N ATOM 1662 CA GLU A 113 15.945 -0.834 0.377 1.00 0.00 C ATOM 1663 C GLU A 113 15.179 -1.749 1.328 1.00 0.00 C ATOM 1664 O GLU A 113 14.985 -2.932 1.047 1.00 0.00 O ATOM 1665 CB GLU A 113 17.273 -0.417 1.012 1.00 0.00 C ATOM 1666 CG GLU A 113 17.759 0.951 0.563 1.00 0.00 C ATOM 1667 CD GLU A 113 19.272 1.060 0.560 1.00 0.00 C ATOM 1668 OE1 GLU A 113 19.887 0.745 -0.481 1.00 0.00 O ATOM 1669 OE2 GLU A 113 19.841 1.459 1.597 1.00 0.00 O ATOM 0 H GLU A 113 15.453 1.201 0.500 1.00 0.00 H new ATOM 0 HA GLU A 113 16.147 -1.382 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.163 -0.416 2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 113 18.032 -1.161 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.382 1.156 -0.439 1.00 0.00 H new ATOM 0 HG3 GLU A 113 17.345 1.714 1.222 1.00 0.00 H new ATOM 1676 N ALA A 114 14.746 -1.193 2.454 1.00 0.00 N ATOM 1677 CA ALA A 114 14.000 -1.958 3.446 1.00 0.00 C ATOM 1678 C ALA A 114 12.783 -2.630 2.820 1.00 0.00 C ATOM 1679 O ALA A 114 12.522 -3.809 3.059 1.00 0.00 O ATOM 1680 CB ALA A 114 13.576 -1.057 4.597 1.00 0.00 C ATOM 0 H ALA A 114 14.899 -0.216 2.703 1.00 0.00 H new ATOM 0 HA ALA A 114 14.654 -2.740 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.020 -1.641 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.460 -0.629 5.069 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.944 -0.255 4.217 1.00 0.00 H new ATOM 1686 N ILE A 115 12.041 -1.871 2.020 1.00 0.00 N ATOM 1687 CA ILE A 115 10.852 -2.394 1.360 1.00 0.00 C ATOM 1688 C ILE A 115 11.187 -3.613 0.506 1.00 0.00 C ATOM 1689 O ILE A 115 10.459 -4.605 0.509 1.00 0.00 O ATOM 1690 CB ILE A 115 10.186 -1.327 0.471 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.888 -0.067 1.287 1.00 0.00 C ATOM 1692 CG2 ILE A 115 8.910 -1.876 -0.150 1.00 0.00 C ATOM 1693 CD1 ILE A 115 9.954 1.208 0.474 1.00 0.00 C ATOM 0 H ILE A 115 12.243 -0.893 1.814 1.00 0.00 H new ATOM 0 HA ILE A 115 10.157 -2.685 2.148 1.00 0.00 H new ATOM 0 HB ILE A 115 10.874 -1.063 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.895 -0.156 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.599 -0.001 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.451 -1.110 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.148 -2.748 -0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.216 -2.164 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.732 2.061 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 115 10.953 1.320 0.054 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.224 1.162 -0.334 1.00 0.00 H new ATOM 1705 N VAL A 116 12.296 -3.531 -0.223 1.00 0.00 N ATOM 1706 CA VAL A 116 12.731 -4.628 -1.079 1.00 0.00 C ATOM 1707 C VAL A 116 12.950 -5.902 -0.271 1.00 0.00 C ATOM 1708 O VAL A 116 12.590 -6.995 -0.708 1.00 0.00 O ATOM 1709 CB VAL A 116 14.031 -4.275 -1.825 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.517 -5.463 -2.642 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.823 -3.057 -2.712 1.00 0.00 C ATOM 0 H VAL A 116 12.909 -2.716 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 116 11.937 -4.796 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 116 14.797 -4.033 -1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.437 -5.195 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.708 -6.307 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.755 -5.739 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.752 -2.822 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.042 -3.268 -3.443 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.525 -2.207 -2.098 1.00 0.00 H new ATOM 1721 N ASP A 117 13.542 -5.753 0.908 1.00 0.00 N ATOM 1722 CA ASP A 117 13.809 -6.892 1.779 1.00 0.00 C ATOM 1723 C ASP A 117 12.514 -7.432 2.379 1.00 0.00 C ATOM 1724 O ASP A 117 12.322 -8.644 2.476 1.00 0.00 O ATOM 1725 CB ASP A 117 14.775 -6.493 2.895 1.00 0.00 C ATOM 1726 CG ASP A 117 15.526 -7.681 3.464 1.00 0.00 C ATOM 1727 OD1 ASP A 117 16.604 -8.013 2.929 1.00 0.00 O ATOM 1728 OD2 ASP A 117 15.034 -8.281 4.443 1.00 0.00 O ATOM 0 H ASP A 117 13.846 -4.855 1.283 1.00 0.00 H new ATOM 0 HA ASP A 117 14.266 -7.678 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.490 -5.766 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.219 -6.002 3.694 1.00 0.00 H new ATOM 1733 N ALA A 118 11.631 -6.524 2.781 1.00 0.00 N ATOM 1734 CA ALA A 118 10.354 -6.909 3.370 1.00 0.00 C ATOM 1735 C ALA A 118 9.488 -7.658 2.363 1.00 0.00 C ATOM 1736 O ALA A 118 8.931 -8.711 2.671 1.00 0.00 O ATOM 1737 CB ALA A 118 9.621 -5.682 3.890 1.00 0.00 C ATOM 0 H ALA A 118 11.776 -5.517 2.710 1.00 0.00 H new ATOM 0 HA ALA A 118 10.555 -7.579 4.206 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.669 -5.985 4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.229 -5.190 4.649 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.439 -4.991 3.067 1.00 0.00 H new ATOM 1743 N ALA A 119 9.379 -7.107 1.158 1.00 0.00 N ATOM 1744 CA ALA A 119 8.582 -7.724 0.106 1.00 0.00 C ATOM 1745 C ALA A 119 9.045 -9.151 -0.169 1.00 0.00 C ATOM 1746 O ALA A 119 8.229 -10.064 -0.305 1.00 0.00 O ATOM 1747 CB ALA A 119 8.650 -6.890 -1.165 1.00 0.00 C ATOM 0 H ALA A 119 9.833 -6.235 0.887 1.00 0.00 H new ATOM 0 HA ALA A 119 7.547 -7.766 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 119 8.050 -7.363 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 119 8.263 -5.891 -0.965 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.685 -6.819 -1.498 1.00 0.00 H new ATOM 1753 N LEU A 120 10.357 -9.336 -0.252 1.00 0.00 N ATOM 1754 CA LEU A 120 10.929 -10.653 -0.512 1.00 0.00 C ATOM 1755 C LEU A 120 10.588 -11.626 0.612 1.00 0.00 C ATOM 1756 O LEU A 120 9.952 -12.655 0.383 1.00 0.00 O ATOM 1757 CB LEU A 120 12.448 -10.549 -0.668 1.00 0.00 C ATOM 1758 CG LEU A 120 12.945 -9.798 -1.904 1.00 0.00 C ATOM 1759 CD1 LEU A 120 14.326 -9.214 -1.653 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.966 -10.720 -3.115 1.00 0.00 C ATOM 0 H LEU A 120 11.045 -8.591 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 120 10.499 -11.032 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.852 -10.058 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.861 -11.557 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 120 12.257 -8.977 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.664 -8.683 -2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 120 14.281 -8.521 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 120 15.025 -10.018 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 120 13.322 -10.169 -3.986 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.632 -11.561 -2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.959 -11.091 -3.307 1.00 0.00 H new ATOM 1772 N SER A 121 11.012 -11.292 1.826 1.00 0.00 N ATOM 1773 CA SER A 121 10.753 -12.138 2.986 1.00 0.00 C ATOM 1774 C SER A 121 9.318 -12.656 2.970 1.00 0.00 C ATOM 1775 O SER A 121 9.066 -13.829 3.243 1.00 0.00 O ATOM 1776 CB SER A 121 11.013 -11.362 4.278 1.00 0.00 C ATOM 1777 OG SER A 121 11.373 -12.235 5.334 1.00 0.00 O ATOM 0 H SER A 121 11.536 -10.442 2.033 1.00 0.00 H new ATOM 0 HA SER A 121 11.430 -12.991 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.809 -10.635 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 121 10.121 -10.801 4.554 1.00 0.00 H new ATOM 0 HG SER A 121 11.536 -11.714 6.148 1.00 0.00 H new ATOM 1783 N ALA A 122 8.380 -11.771 2.649 1.00 0.00 N ATOM 1784 CA ALA A 122 6.970 -12.137 2.596 1.00 0.00 C ATOM 1785 C ALA A 122 6.676 -13.013 1.383 1.00 0.00 C ATOM 1786 O ALA A 122 5.990 -14.031 1.491 1.00 0.00 O ATOM 1787 CB ALA A 122 6.101 -10.888 2.571 1.00 0.00 C ATOM 0 H ALA A 122 8.571 -10.795 2.422 1.00 0.00 H new ATOM 0 HA ALA A 122 6.735 -12.712 3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.051 -11.176 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.282 -10.300 3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.347 -10.291 1.693 1.00 0.00 H new