USER MOD reduce.3.24.130724 H: found=0, std=0, add=1127, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1121 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 126 MET CE :methyl -133:sc= -1.28 (180deg=-2.08!) USER MOD Set 1.2: A 162 TYR OH : rot -80:sc= -2.61! USER MOD Set 2.1: A 120 HIS : no HE2:sc= -4.94! C(o=-16!,f=-21!) USER MOD Set 2.2: A 124 HIS : no HE2:sc= -5.23! C(o=-16!,f=-16!) USER MOD Set 2.3: A 130 HIS :FLIP no HD1:sc= -2.5 F(o=-18!,f=-16) USER MOD Set 2.4: A 138 MET CE :methyl -118:sc= -3.29! (180deg=-0.879) USER MOD Set 3.1: A 107 ASN :FLIP amide:sc= -2.06! C(o=-4.8!,f=-2.1!) USER MOD Set 3.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 64 ASN : amide:sc= -4.05! C(o=-8.3!,f=-17!) USER MOD Set 4.2: A 70 HIS : no HE2:sc= -0.99! C(o=-8.3!,f=-23!) USER MOD Set 4.3: A 98 HIS : no HE2:sc= -3.29! C(o=-8.3!,f=-22!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= -0.109 (180deg=-0.811) USER MOD Single : A 14 ASN : amide:sc= -0.044 X(o=-0.044,f=-0.28) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 170:sc= -0.299 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.454 USER MOD Single : A 41 GLN :FLIP amide:sc= -0.0773 F(o=-0.71,f=-0.077) USER MOD Single : A 44 SER OG : rot 171:sc= 0.265 USER MOD Single : A 47 THR OG1 : rot 180:sc= -2.51! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.734 F(o=-2.2!,f=-0.73) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.9!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc=-0.00836 USER MOD Single : A 106 THR OG1 : rot -106:sc= -2.83! USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.39 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN :FLIP amide:sc= -3.54! C(o=-5.1!,f=-3.5!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 85:sc= -1.37 USER MOD Single : A 132 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 142 TYR OH : rot 174:sc= 0.431 USER MOD Single : A 143 THR OG1 : rot 160:sc= -0.845 USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 THR OG1 : rot -165:sc= -2.76! USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 ASN : amide:sc= -0.0564 X(o=-0.056,f=-0.023) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 152 GLN :FLIP amide:sc= -0.119 F(o=-1.3,f=-0.12) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 169 N LYS A 10 20.825 7.983 4.339 1.00 0.00 N ATOM 170 CA LYS A 10 19.909 8.584 5.351 1.00 0.00 C ATOM 171 C LYS A 10 20.723 9.117 6.526 1.00 0.00 C ATOM 172 O LYS A 10 21.181 10.241 6.505 1.00 0.00 O ATOM 173 CB LYS A 10 18.906 7.533 5.836 1.00 0.00 C ATOM 174 CG LYS A 10 17.677 7.558 4.926 1.00 0.00 C ATOM 175 CD LYS A 10 17.444 6.161 4.353 1.00 0.00 C ATOM 176 CE LYS A 10 17.322 5.158 5.501 1.00 0.00 C ATOM 177 NZ LYS A 10 16.806 3.863 4.979 1.00 0.00 N ATOM 0 HA LYS A 10 19.360 9.408 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 10 19.363 6.543 5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.615 7.738 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 10 16.801 7.884 5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 10 17.823 8.275 4.118 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.538 6.150 3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 10 18.269 5.882 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 10 18.293 5.010 5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.651 5.546 6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 16.723 3.182 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.871 4.010 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.462 3.491 4.263 1.00 0.00 H new ATOM 191 N TRP A 11 20.912 8.335 7.553 1.00 0.00 N ATOM 192 CA TRP A 11 21.704 8.836 8.713 1.00 0.00 C ATOM 193 C TRP A 11 21.692 7.807 9.852 1.00 0.00 C ATOM 194 O TRP A 11 21.476 8.156 10.994 1.00 0.00 O ATOM 195 CB TRP A 11 21.077 10.144 9.223 1.00 0.00 C ATOM 196 CG TRP A 11 21.846 11.331 8.717 1.00 0.00 C ATOM 197 CD1 TRP A 11 21.290 12.490 8.290 1.00 0.00 C ATOM 198 CD2 TRP A 11 23.289 11.498 8.583 1.00 0.00 C ATOM 199 NE1 TRP A 11 22.299 13.351 7.896 1.00 0.00 N ATOM 200 CE2 TRP A 11 23.548 12.786 8.058 1.00 0.00 C ATOM 201 CE3 TRP A 11 24.386 10.662 8.861 1.00 0.00 C ATOM 202 CZ2 TRP A 11 24.848 13.230 7.816 1.00 0.00 C ATOM 203 CZ3 TRP A 11 25.695 11.107 8.622 1.00 0.00 C ATOM 204 CH2 TRP A 11 25.927 12.388 8.100 1.00 0.00 C ATOM 0 H TRP A 11 20.558 7.382 7.640 1.00 0.00 H new ATOM 0 HA TRP A 11 22.732 9.005 8.392 1.00 0.00 H new ATOM 0 HB2 TRP A 11 20.040 10.209 8.894 1.00 0.00 H new ATOM 0 HB3 TRP A 11 21.067 10.148 10.313 1.00 0.00 H new ATOM 0 HD1 TRP A 11 20.232 12.707 8.262 1.00 0.00 H new ATOM 0 HE1 TRP A 11 22.139 14.290 7.530 1.00 0.00 H new ATOM 0 HE3 TRP A 11 24.220 9.672 9.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 25.020 14.217 7.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 26.530 10.458 8.842 1.00 0.00 H new ATOM 0 HH2 TRP A 11 26.937 12.723 7.918 1.00 0.00 H new ATOM 215 N ASP A 12 21.911 6.546 9.573 1.00 0.00 N ATOM 216 CA ASP A 12 21.888 5.548 10.684 1.00 0.00 C ATOM 217 C ASP A 12 22.918 4.444 10.460 1.00 0.00 C ATOM 218 O ASP A 12 22.599 3.377 9.974 1.00 0.00 O ATOM 219 CB ASP A 12 20.504 4.918 10.768 1.00 0.00 C ATOM 220 CG ASP A 12 20.119 4.351 9.400 1.00 0.00 C ATOM 221 OD1 ASP A 12 20.215 5.084 8.427 1.00 0.00 O ATOM 222 OD2 ASP A 12 19.733 3.193 9.349 1.00 0.00 O ATOM 0 H ASP A 12 22.101 6.171 8.644 1.00 0.00 H new ATOM 0 HA ASP A 12 22.130 6.068 11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 12 20.498 4.126 11.517 1.00 0.00 H new ATOM 0 HB3 ASP A 12 19.773 5.662 11.085 1.00 0.00 H new ATOM 227 N LYS A 13 24.140 4.670 10.846 1.00 0.00 N ATOM 228 CA LYS A 13 25.166 3.605 10.687 1.00 0.00 C ATOM 229 C LYS A 13 25.638 3.194 12.081 1.00 0.00 C ATOM 230 O LYS A 13 26.819 3.136 12.359 1.00 0.00 O ATOM 231 CB LYS A 13 26.364 4.110 9.875 1.00 0.00 C ATOM 232 CG LYS A 13 25.966 5.319 9.021 1.00 0.00 C ATOM 233 CD LYS A 13 26.676 6.559 9.556 1.00 0.00 C ATOM 234 CE LYS A 13 26.085 7.799 8.891 1.00 0.00 C ATOM 235 NZ LYS A 13 25.923 7.536 7.436 1.00 0.00 N ATOM 0 H LYS A 13 24.472 5.540 11.262 1.00 0.00 H new ATOM 0 HA LYS A 13 24.730 2.760 10.154 1.00 0.00 H new ATOM 0 HB2 LYS A 13 27.176 4.385 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 13 26.738 3.312 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.237 5.150 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.886 5.461 9.050 1.00 0.00 H new ATOM 0 HD2 LYS A 13 26.560 6.621 10.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 27.745 6.497 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 13 25.122 8.044 9.339 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.737 8.658 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 25.852 8.439 6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.745 7.004 7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 25.058 6.980 7.278 1.00 0.00 H new ATOM 249 N ASN A 14 24.713 2.929 12.966 1.00 0.00 N ATOM 250 CA ASN A 14 25.093 2.544 14.354 1.00 0.00 C ATOM 251 C ASN A 14 25.783 3.742 15.020 1.00 0.00 C ATOM 252 O ASN A 14 25.239 4.365 15.909 1.00 0.00 O ATOM 253 CB ASN A 14 26.041 1.342 14.314 1.00 0.00 C ATOM 254 CG ASN A 14 25.242 0.046 14.467 1.00 0.00 C ATOM 255 OD1 ASN A 14 24.524 -0.124 15.431 1.00 0.00 O ATOM 256 ND2 ASN A 14 25.338 -0.882 13.549 1.00 0.00 N ATOM 0 H ASN A 14 23.710 2.963 12.786 1.00 0.00 H new ATOM 0 HA ASN A 14 24.207 2.267 14.925 1.00 0.00 H new ATOM 0 HB2 ASN A 14 26.591 1.332 13.373 1.00 0.00 H new ATOM 0 HB3 ASN A 14 26.778 1.422 15.113 1.00 0.00 H new ATOM 0 HD21 ASN A 14 24.809 -1.749 13.643 1.00 0.00 H new ATOM 0 HD22 ASN A 14 25.942 -0.738 12.739 1.00 0.00 H new ATOM 263 N GLN A 15 26.970 4.082 14.588 1.00 0.00 N ATOM 264 CA GLN A 15 27.677 5.252 15.189 1.00 0.00 C ATOM 265 C GLN A 15 27.134 6.539 14.566 1.00 0.00 C ATOM 266 O GLN A 15 27.368 6.819 13.408 1.00 0.00 O ATOM 267 CB GLN A 15 29.179 5.148 14.903 1.00 0.00 C ATOM 268 CG GLN A 15 29.718 3.830 15.465 1.00 0.00 C ATOM 269 CD GLN A 15 30.683 3.204 14.454 1.00 0.00 C ATOM 270 OE1 GLN A 15 30.337 2.259 13.766 1.00 0.00 O ATOM 271 NE2 GLN A 15 31.889 3.690 14.336 1.00 0.00 N ATOM 0 H GLN A 15 27.479 3.601 13.847 1.00 0.00 H new ATOM 0 HA GLN A 15 27.513 5.263 16.267 1.00 0.00 H new ATOM 0 HB2 GLN A 15 29.359 5.198 13.829 1.00 0.00 H new ATOM 0 HB3 GLN A 15 29.705 5.990 15.354 1.00 0.00 H new ATOM 0 HG2 GLN A 15 30.229 4.007 16.411 1.00 0.00 H new ATOM 0 HG3 GLN A 15 28.895 3.146 15.671 1.00 0.00 H new ATOM 0 HE21 GLN A 15 32.179 4.481 14.912 1.00 0.00 H new ATOM 0 HE22 GLN A 15 32.541 3.279 13.668 1.00 0.00 H new ATOM 280 N ILE A 16 26.413 7.328 15.320 1.00 0.00 N ATOM 281 CA ILE A 16 25.865 8.592 14.753 1.00 0.00 C ATOM 282 C ILE A 16 26.686 9.779 15.267 1.00 0.00 C ATOM 283 O ILE A 16 27.420 9.667 16.229 1.00 0.00 O ATOM 284 CB ILE A 16 24.402 8.772 15.187 1.00 0.00 C ATOM 285 CG1 ILE A 16 23.719 7.405 15.346 1.00 0.00 C ATOM 286 CG2 ILE A 16 23.659 9.600 14.137 1.00 0.00 C ATOM 287 CD1 ILE A 16 23.287 6.862 13.983 1.00 0.00 C ATOM 0 H ILE A 16 26.182 7.152 16.298 1.00 0.00 H new ATOM 0 HA ILE A 16 25.918 8.545 13.665 1.00 0.00 H new ATOM 0 HB ILE A 16 24.378 9.288 16.147 1.00 0.00 H new ATOM 0 HG12 ILE A 16 24.403 6.703 15.824 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.851 7.499 15.999 1.00 0.00 H new ATOM 0 HG21 ILE A 16 22.621 9.729 14.443 1.00 0.00 H new ATOM 0 HG22 ILE A 16 24.133 10.577 14.042 1.00 0.00 H new ATOM 0 HG23 ILE A 16 23.693 9.085 13.177 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.805 5.893 14.113 1.00 0.00 H new ATOM 0 HD12 ILE A 16 22.586 7.557 13.520 1.00 0.00 H new ATOM 0 HD13 ILE A 16 24.162 6.749 13.343 1.00 0.00 H new ATOM 299 N THR A 17 26.549 10.920 14.646 1.00 0.00 N ATOM 300 CA THR A 17 27.297 12.120 15.112 1.00 0.00 C ATOM 301 C THR A 17 26.298 13.260 15.294 1.00 0.00 C ATOM 302 O THR A 17 25.414 13.444 14.485 1.00 0.00 O ATOM 303 CB THR A 17 28.351 12.523 14.078 1.00 0.00 C ATOM 304 OG1 THR A 17 28.408 11.541 13.052 1.00 0.00 O ATOM 305 CG2 THR A 17 29.713 12.632 14.767 1.00 0.00 C ATOM 0 H THR A 17 25.950 11.071 13.835 1.00 0.00 H new ATOM 0 HA THR A 17 27.803 11.899 16.052 1.00 0.00 H new ATOM 0 HB THR A 17 28.088 13.485 13.638 1.00 0.00 H new ATOM 0 HG1 THR A 17 29.082 11.800 12.389 1.00 0.00 H new ATOM 0 HG21 THR A 17 30.469 12.919 14.036 1.00 0.00 H new ATOM 0 HG22 THR A 17 29.664 13.386 15.553 1.00 0.00 H new ATOM 0 HG23 THR A 17 29.978 11.669 15.204 1.00 0.00 H new ATOM 313 N TYR A 18 26.413 14.015 16.350 1.00 0.00 N ATOM 314 CA TYR A 18 25.439 15.120 16.568 1.00 0.00 C ATOM 315 C TYR A 18 26.112 16.272 17.314 1.00 0.00 C ATOM 316 O TYR A 18 27.086 16.090 18.017 1.00 0.00 O ATOM 317 CB TYR A 18 24.248 14.577 17.367 1.00 0.00 C ATOM 318 CG TYR A 18 24.661 14.330 18.792 1.00 0.00 C ATOM 319 CD1 TYR A 18 25.513 13.263 19.099 1.00 0.00 C ATOM 320 CD2 TYR A 18 24.189 15.164 19.807 1.00 0.00 C ATOM 321 CE1 TYR A 18 25.895 13.032 20.425 1.00 0.00 C ATOM 322 CE2 TYR A 18 24.570 14.935 21.135 1.00 0.00 C ATOM 323 CZ TYR A 18 25.423 13.868 21.444 1.00 0.00 C ATOM 324 OH TYR A 18 25.800 13.642 22.751 1.00 0.00 O ATOM 0 H TYR A 18 27.133 13.917 17.066 1.00 0.00 H new ATOM 0 HA TYR A 18 25.086 15.501 15.610 1.00 0.00 H new ATOM 0 HB2 TYR A 18 23.423 15.288 17.336 1.00 0.00 H new ATOM 0 HB3 TYR A 18 23.888 13.652 16.917 1.00 0.00 H new ATOM 0 HD1 TYR A 18 25.876 12.618 18.312 1.00 0.00 H new ATOM 0 HD2 TYR A 18 23.530 15.986 19.568 1.00 0.00 H new ATOM 0 HE1 TYR A 18 26.553 12.209 20.662 1.00 0.00 H new ATOM 0 HE2 TYR A 18 24.206 15.581 21.920 1.00 0.00 H new ATOM 0 HH TYR A 18 25.385 14.313 23.332 1.00 0.00 H new ATOM 334 N ARG A 19 25.613 17.464 17.142 1.00 0.00 N ATOM 335 CA ARG A 19 26.239 18.636 17.812 1.00 0.00 C ATOM 336 C ARG A 19 25.169 19.669 18.157 1.00 0.00 C ATOM 337 O ARG A 19 24.439 20.125 17.301 1.00 0.00 O ATOM 338 CB ARG A 19 27.249 19.264 16.849 1.00 0.00 C ATOM 339 CG ARG A 19 27.627 20.679 17.319 1.00 0.00 C ATOM 340 CD ARG A 19 28.155 20.618 18.752 1.00 0.00 C ATOM 341 NE ARG A 19 29.488 21.282 18.825 1.00 0.00 N ATOM 342 CZ ARG A 19 30.134 21.323 19.959 1.00 0.00 C ATOM 343 NH1 ARG A 19 29.576 20.867 21.044 1.00 0.00 N ATOM 344 NH2 ARG A 19 31.324 21.858 20.012 1.00 0.00 N ATOM 0 H ARG A 19 24.798 17.677 16.566 1.00 0.00 H new ATOM 0 HA ARG A 19 26.734 18.315 18.728 1.00 0.00 H new ATOM 0 HB2 ARG A 19 28.142 18.642 16.792 1.00 0.00 H new ATOM 0 HB3 ARG A 19 26.826 19.308 15.845 1.00 0.00 H new ATOM 0 HG2 ARG A 19 28.384 21.102 16.659 1.00 0.00 H new ATOM 0 HG3 ARG A 19 26.758 21.335 17.268 1.00 0.00 H new ATOM 0 HD2 ARG A 19 27.456 21.109 19.429 1.00 0.00 H new ATOM 0 HD3 ARG A 19 28.237 19.580 19.076 1.00 0.00 H new ATOM 0 HE ARG A 19 29.895 21.704 17.990 1.00 0.00 H new ATOM 0 HH11 ARG A 19 28.634 20.478 21.008 1.00 0.00 H new ATOM 0 HH12 ARG A 19 30.081 20.899 21.930 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.748 22.243 19.168 1.00 0.00 H new ATOM 0 HH22 ARG A 19 31.830 21.891 20.897 1.00 0.00 H new ATOM 358 N ILE A 20 25.087 20.064 19.394 1.00 0.00 N ATOM 359 CA ILE A 20 24.080 21.088 19.767 1.00 0.00 C ATOM 360 C ILE A 20 24.689 22.460 19.521 1.00 0.00 C ATOM 361 O ILE A 20 25.748 22.772 20.026 1.00 0.00 O ATOM 362 CB ILE A 20 23.723 20.952 21.243 1.00 0.00 C ATOM 363 CG1 ILE A 20 23.374 19.496 21.557 1.00 0.00 C ATOM 364 CG2 ILE A 20 22.524 21.846 21.551 1.00 0.00 C ATOM 365 CD1 ILE A 20 24.108 19.071 22.829 1.00 0.00 C ATOM 0 H ILE A 20 25.671 19.724 20.158 1.00 0.00 H new ATOM 0 HA ILE A 20 23.176 20.957 19.173 1.00 0.00 H new ATOM 0 HB ILE A 20 24.573 21.254 21.855 1.00 0.00 H new ATOM 0 HG12 ILE A 20 22.298 19.387 21.689 1.00 0.00 H new ATOM 0 HG13 ILE A 20 23.660 18.853 20.725 1.00 0.00 H new ATOM 0 HG21 ILE A 20 22.263 21.754 22.605 1.00 0.00 H new ATOM 0 HG22 ILE A 20 22.777 22.883 21.329 1.00 0.00 H new ATOM 0 HG23 ILE A 20 21.675 21.540 20.939 1.00 0.00 H new ATOM 0 HD11 ILE A 20 23.865 18.034 23.060 1.00 0.00 H new ATOM 0 HD12 ILE A 20 25.183 19.166 22.678 1.00 0.00 H new ATOM 0 HD13 ILE A 20 23.800 19.709 23.657 1.00 0.00 H new ATOM 377 N ILE A 21 24.049 23.287 18.745 1.00 0.00 N ATOM 378 CA ILE A 21 24.634 24.628 18.478 1.00 0.00 C ATOM 379 C ILE A 21 24.481 25.532 19.705 1.00 0.00 C ATOM 380 O ILE A 21 24.834 26.694 19.671 1.00 0.00 O ATOM 381 CB ILE A 21 23.944 25.278 17.280 1.00 0.00 C ATOM 382 CG1 ILE A 21 23.924 24.300 16.100 1.00 0.00 C ATOM 383 CG2 ILE A 21 24.735 26.524 16.885 1.00 0.00 C ATOM 384 CD1 ILE A 21 22.496 24.153 15.570 1.00 0.00 C ATOM 0 H ILE A 21 23.157 23.096 18.289 1.00 0.00 H new ATOM 0 HA ILE A 21 25.694 24.500 18.258 1.00 0.00 H new ATOM 0 HB ILE A 21 22.920 25.544 17.542 1.00 0.00 H new ATOM 0 HG12 ILE A 21 24.580 24.659 15.307 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.306 23.329 16.415 1.00 0.00 H new ATOM 0 HG21 ILE A 21 24.257 27.002 16.030 1.00 0.00 H new ATOM 0 HG22 ILE A 21 24.760 27.220 17.723 1.00 0.00 H new ATOM 0 HG23 ILE A 21 25.753 26.240 16.619 1.00 0.00 H new ATOM 0 HD11 ILE A 21 22.489 23.457 14.732 1.00 0.00 H new ATOM 0 HD12 ILE A 21 21.851 23.773 16.362 1.00 0.00 H new ATOM 0 HD13 ILE A 21 22.129 25.124 15.238 1.00 0.00 H new ATOM 396 N GLY A 22 23.965 25.020 20.789 1.00 0.00 N ATOM 397 CA GLY A 22 23.808 25.870 21.998 1.00 0.00 C ATOM 398 C GLY A 22 22.540 25.464 22.749 1.00 0.00 C ATOM 399 O GLY A 22 21.438 25.663 22.277 1.00 0.00 O ATOM 0 H GLY A 22 23.648 24.056 20.888 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.677 25.762 22.647 1.00 0.00 H new ATOM 0 HA3 GLY A 22 23.753 26.920 21.712 1.00 0.00 H new ATOM 403 N TYR A 23 22.681 24.909 23.920 1.00 0.00 N ATOM 404 CA TYR A 23 21.468 24.510 24.693 1.00 0.00 C ATOM 405 C TYR A 23 20.656 25.776 24.975 1.00 0.00 C ATOM 406 O TYR A 23 20.857 26.796 24.347 1.00 0.00 O ATOM 407 CB TYR A 23 21.863 23.864 26.030 1.00 0.00 C ATOM 408 CG TYR A 23 23.195 23.156 25.913 1.00 0.00 C ATOM 409 CD1 TYR A 23 23.557 22.518 24.720 1.00 0.00 C ATOM 410 CD2 TYR A 23 24.066 23.134 27.007 1.00 0.00 C ATOM 411 CE1 TYR A 23 24.790 21.863 24.623 1.00 0.00 C ATOM 412 CE2 TYR A 23 25.297 22.479 26.912 1.00 0.00 C ATOM 413 CZ TYR A 23 25.660 21.844 25.719 1.00 0.00 C ATOM 414 OH TYR A 23 26.874 21.197 25.621 1.00 0.00 O ATOM 0 H TYR A 23 23.574 24.715 24.374 1.00 0.00 H new ATOM 0 HA TYR A 23 20.890 23.787 24.118 1.00 0.00 H new ATOM 0 HB2 TYR A 23 21.919 24.628 26.805 1.00 0.00 H new ATOM 0 HB3 TYR A 23 21.095 23.154 26.337 1.00 0.00 H new ATOM 0 HD1 TYR A 23 22.885 22.531 23.875 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.787 23.624 27.928 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.070 21.372 23.703 1.00 0.00 H new ATOM 0 HE2 TYR A 23 25.967 22.463 27.759 1.00 0.00 H new ATOM 0 HH TYR A 23 27.358 21.279 26.469 1.00 0.00 H new ATOM 424 N THR A 24 19.764 25.741 25.928 1.00 0.00 N ATOM 425 CA THR A 24 18.985 26.974 26.251 1.00 0.00 C ATOM 426 C THR A 24 19.503 27.530 27.580 1.00 0.00 C ATOM 427 O THR A 24 19.751 26.779 28.503 1.00 0.00 O ATOM 428 CB THR A 24 17.487 26.658 26.374 1.00 0.00 C ATOM 429 OG1 THR A 24 16.819 27.785 26.929 1.00 0.00 O ATOM 430 CG2 THR A 24 17.281 25.452 27.287 1.00 0.00 C ATOM 0 H THR A 24 19.541 24.921 26.493 1.00 0.00 H new ATOM 0 HA THR A 24 19.111 27.704 25.451 1.00 0.00 H new ATOM 0 HB THR A 24 17.084 26.432 25.387 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.850 27.656 26.862 1.00 0.00 H new ATOM 0 HG21 THR A 24 16.216 25.235 27.369 1.00 0.00 H new ATOM 0 HG22 THR A 24 17.797 24.587 26.869 1.00 0.00 H new ATOM 0 HG23 THR A 24 17.683 25.671 28.276 1.00 0.00 H new ATOM 438 N PRO A 25 19.663 28.828 27.642 1.00 0.00 N ATOM 439 CA PRO A 25 20.167 29.501 28.854 1.00 0.00 C ATOM 440 C PRO A 25 19.066 29.587 29.907 1.00 0.00 C ATOM 441 O PRO A 25 19.320 29.671 31.092 1.00 0.00 O ATOM 442 CB PRO A 25 20.561 30.891 28.349 1.00 0.00 C ATOM 443 CG PRO A 25 19.775 31.130 27.037 1.00 0.00 C ATOM 444 CD PRO A 25 19.354 29.744 26.520 1.00 0.00 C ATOM 0 HA PRO A 25 20.997 28.978 29.329 1.00 0.00 H new ATOM 0 HB2 PRO A 25 20.319 31.654 29.089 1.00 0.00 H new ATOM 0 HB3 PRO A 25 21.635 30.948 28.172 1.00 0.00 H new ATOM 0 HG2 PRO A 25 18.903 31.758 27.217 1.00 0.00 H new ATOM 0 HG3 PRO A 25 20.394 31.646 26.303 1.00 0.00 H new ATOM 0 HD2 PRO A 25 18.294 29.719 26.266 1.00 0.00 H new ATOM 0 HD3 PRO A 25 19.904 29.471 25.620 1.00 0.00 H new ATOM 452 N ASP A 26 17.848 29.558 29.472 1.00 0.00 N ATOM 453 CA ASP A 26 16.701 29.628 30.422 1.00 0.00 C ATOM 454 C ASP A 26 16.880 28.601 31.541 1.00 0.00 C ATOM 455 O ASP A 26 16.335 28.746 32.616 1.00 0.00 O ATOM 456 CB ASP A 26 15.406 29.321 29.673 1.00 0.00 C ATOM 457 CG ASP A 26 14.646 30.623 29.421 1.00 0.00 C ATOM 458 OD1 ASP A 26 14.163 31.199 30.383 1.00 0.00 O ATOM 459 OD2 ASP A 26 14.562 31.023 28.271 1.00 0.00 O ATOM 0 H ASP A 26 17.587 29.488 28.488 1.00 0.00 H new ATOM 0 HA ASP A 26 16.659 30.628 30.853 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.628 28.827 28.727 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.791 28.634 30.254 1.00 0.00 H new ATOM 464 N LEU A 27 17.615 27.550 31.299 1.00 0.00 N ATOM 465 CA LEU A 27 17.782 26.523 32.363 1.00 0.00 C ATOM 466 C LEU A 27 19.231 26.028 32.426 1.00 0.00 C ATOM 467 O LEU A 27 20.075 26.419 31.645 1.00 0.00 O ATOM 468 CB LEU A 27 16.859 25.344 32.079 1.00 0.00 C ATOM 469 CG LEU A 27 16.819 25.098 30.584 1.00 0.00 C ATOM 470 CD1 LEU A 27 18.086 24.354 30.180 1.00 0.00 C ATOM 471 CD2 LEU A 27 15.592 24.256 30.239 1.00 0.00 C ATOM 0 H LEU A 27 18.101 27.360 30.422 1.00 0.00 H new ATOM 0 HA LEU A 27 17.528 26.976 33.321 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.215 24.454 32.598 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.857 25.552 32.453 1.00 0.00 H new ATOM 0 HG LEU A 27 16.760 26.046 30.049 1.00 0.00 H new ATOM 0 HD11 LEU A 27 18.073 24.169 29.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 18.958 24.956 30.434 1.00 0.00 H new ATOM 0 HD13 LEU A 27 18.135 23.403 30.711 1.00 0.00 H new ATOM 0 HD21 LEU A 27 15.563 24.079 29.164 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.647 23.302 30.763 1.00 0.00 H new ATOM 0 HD23 LEU A 27 14.690 24.786 30.544 1.00 0.00 H new ATOM 483 N ASP A 28 19.514 25.164 33.367 1.00 0.00 N ATOM 484 CA ASP A 28 20.893 24.625 33.516 1.00 0.00 C ATOM 485 C ASP A 28 21.378 24.032 32.198 1.00 0.00 C ATOM 486 O ASP A 28 20.716 23.192 31.627 1.00 0.00 O ATOM 487 CB ASP A 28 20.896 23.521 34.577 1.00 0.00 C ATOM 488 CG ASP A 28 20.496 24.101 35.937 1.00 0.00 C ATOM 489 OD1 ASP A 28 20.931 25.196 36.244 1.00 0.00 O ATOM 490 OD2 ASP A 28 19.764 23.434 36.649 1.00 0.00 O ATOM 0 H ASP A 28 18.839 24.807 34.044 1.00 0.00 H new ATOM 0 HA ASP A 28 21.554 25.440 33.812 1.00 0.00 H new ATOM 0 HB2 ASP A 28 20.203 22.729 34.292 1.00 0.00 H new ATOM 0 HB3 ASP A 28 21.886 23.070 34.642 1.00 0.00 H new ATOM 495 N PRO A 29 22.556 24.439 31.789 1.00 0.00 N ATOM 496 CA PRO A 29 23.187 23.906 30.577 1.00 0.00 C ATOM 497 C PRO A 29 23.649 22.514 30.944 1.00 0.00 C ATOM 498 O PRO A 29 23.592 21.583 30.167 1.00 0.00 O ATOM 499 CB PRO A 29 24.348 24.862 30.309 1.00 0.00 C ATOM 500 CG PRO A 29 24.643 25.582 31.642 1.00 0.00 C ATOM 501 CD PRO A 29 23.375 25.438 32.508 1.00 0.00 C ATOM 0 HA PRO A 29 22.557 23.838 29.690 1.00 0.00 H new ATOM 0 HB2 PRO A 29 25.226 24.318 29.960 1.00 0.00 H new ATOM 0 HB3 PRO A 29 24.088 25.579 29.531 1.00 0.00 H new ATOM 0 HG2 PRO A 29 25.505 25.138 32.140 1.00 0.00 H new ATOM 0 HG3 PRO A 29 24.879 26.632 31.472 1.00 0.00 H new ATOM 0 HD2 PRO A 29 23.617 25.103 33.516 1.00 0.00 H new ATOM 0 HD3 PRO A 29 22.849 26.388 32.606 1.00 0.00 H new ATOM 509 N GLU A 30 24.038 22.367 32.178 1.00 0.00 N ATOM 510 CA GLU A 30 24.434 21.036 32.671 1.00 0.00 C ATOM 511 C GLU A 30 23.201 20.154 32.572 1.00 0.00 C ATOM 512 O GLU A 30 23.279 18.991 32.227 1.00 0.00 O ATOM 513 CB GLU A 30 24.890 21.137 34.124 1.00 0.00 C ATOM 514 CG GLU A 30 26.390 21.413 34.153 1.00 0.00 C ATOM 515 CD GLU A 30 26.823 21.707 35.585 1.00 0.00 C ATOM 516 OE1 GLU A 30 26.034 21.459 36.484 1.00 0.00 O ATOM 517 OE2 GLU A 30 27.936 22.178 35.761 1.00 0.00 O ATOM 0 H GLU A 30 24.096 23.120 32.864 1.00 0.00 H new ATOM 0 HA GLU A 30 25.259 20.626 32.088 1.00 0.00 H new ATOM 0 HB2 GLU A 30 24.350 21.935 34.634 1.00 0.00 H new ATOM 0 HB3 GLU A 30 24.667 20.211 34.654 1.00 0.00 H new ATOM 0 HG2 GLU A 30 26.937 20.553 33.765 1.00 0.00 H new ATOM 0 HG3 GLU A 30 26.628 22.259 33.508 1.00 0.00 H new ATOM 524 N THR A 31 22.045 20.718 32.827 1.00 0.00 N ATOM 525 CA THR A 31 20.809 19.907 32.686 1.00 0.00 C ATOM 526 C THR A 31 20.664 19.575 31.199 1.00 0.00 C ATOM 527 O THR A 31 20.877 18.460 30.784 1.00 0.00 O ATOM 528 CB THR A 31 19.597 20.699 33.183 1.00 0.00 C ATOM 529 OG1 THR A 31 19.528 20.601 34.599 1.00 0.00 O ATOM 530 CG2 THR A 31 18.323 20.123 32.563 1.00 0.00 C ATOM 0 H THR A 31 21.910 21.686 33.121 1.00 0.00 H new ATOM 0 HA THR A 31 20.867 18.995 33.280 1.00 0.00 H new ATOM 0 HB THR A 31 19.695 21.745 32.894 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.755 21.107 34.925 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.459 20.686 32.916 1.00 0.00 H new ATOM 0 HG22 THR A 31 18.383 20.194 31.477 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.218 19.078 32.853 1.00 0.00 H new ATOM 538 N VAL A 32 20.330 20.551 30.392 1.00 0.00 N ATOM 539 CA VAL A 32 20.213 20.313 28.925 1.00 0.00 C ATOM 540 C VAL A 32 21.364 19.419 28.474 1.00 0.00 C ATOM 541 O VAL A 32 21.249 18.666 27.525 1.00 0.00 O ATOM 542 CB VAL A 32 20.291 21.645 28.170 1.00 0.00 C ATOM 543 CG1 VAL A 32 18.920 21.952 27.598 1.00 0.00 C ATOM 544 CG2 VAL A 32 20.692 22.772 29.101 1.00 0.00 C ATOM 0 H VAL A 32 20.133 21.506 30.690 1.00 0.00 H new ATOM 0 HA VAL A 32 19.257 19.834 28.713 1.00 0.00 H new ATOM 0 HB VAL A 32 21.038 21.562 27.380 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.955 22.897 27.056 1.00 0.00 H new ATOM 0 HG12 VAL A 32 18.623 21.154 26.917 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.195 22.025 28.409 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.740 23.706 28.542 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.955 22.864 29.899 1.00 0.00 H new ATOM 0 HG23 VAL A 32 21.669 22.557 29.533 1.00 0.00 H new ATOM 554 N ASP A 33 22.472 19.489 29.153 1.00 0.00 N ATOM 555 CA ASP A 33 23.623 18.636 28.776 1.00 0.00 C ATOM 556 C ASP A 33 23.305 17.188 29.177 1.00 0.00 C ATOM 557 O ASP A 33 23.622 16.248 28.470 1.00 0.00 O ATOM 558 CB ASP A 33 24.874 19.121 29.519 1.00 0.00 C ATOM 559 CG ASP A 33 25.907 17.994 29.598 1.00 0.00 C ATOM 560 OD1 ASP A 33 25.825 17.206 30.524 1.00 0.00 O ATOM 561 OD2 ASP A 33 26.756 17.934 28.728 1.00 0.00 O ATOM 0 H ASP A 33 22.628 20.102 29.953 1.00 0.00 H new ATOM 0 HA ASP A 33 23.804 18.691 27.702 1.00 0.00 H new ATOM 0 HB2 ASP A 33 25.302 19.982 29.005 1.00 0.00 H new ATOM 0 HB3 ASP A 33 24.606 19.450 30.523 1.00 0.00 H new ATOM 566 N ASP A 34 22.668 17.006 30.306 1.00 0.00 N ATOM 567 CA ASP A 34 22.321 15.633 30.755 1.00 0.00 C ATOM 568 C ASP A 34 21.071 15.159 30.015 1.00 0.00 C ATOM 569 O ASP A 34 21.105 14.158 29.328 1.00 0.00 O ATOM 570 CB ASP A 34 22.061 15.639 32.264 1.00 0.00 C ATOM 571 CG ASP A 34 21.901 14.202 32.758 1.00 0.00 C ATOM 572 OD1 ASP A 34 21.240 13.437 32.075 1.00 0.00 O ATOM 573 OD2 ASP A 34 22.439 13.892 33.807 1.00 0.00 O ATOM 0 H ASP A 34 22.375 17.754 30.934 1.00 0.00 H new ATOM 0 HA ASP A 34 23.147 14.956 30.537 1.00 0.00 H new ATOM 0 HB2 ASP A 34 22.887 16.124 32.784 1.00 0.00 H new ATOM 0 HB3 ASP A 34 21.162 16.214 32.487 1.00 0.00 H new ATOM 578 N ALA A 35 19.974 15.873 30.137 1.00 0.00 N ATOM 579 CA ALA A 35 18.725 15.464 29.421 1.00 0.00 C ATOM 580 C ALA A 35 19.098 14.894 28.056 1.00 0.00 C ATOM 581 O ALA A 35 18.539 13.918 27.599 1.00 0.00 O ATOM 582 CB ALA A 35 17.820 16.682 29.228 1.00 0.00 C ATOM 0 H ALA A 35 19.892 16.719 30.701 1.00 0.00 H new ATOM 0 HA ALA A 35 18.198 14.712 30.008 1.00 0.00 H new ATOM 0 HB1 ALA A 35 16.911 16.381 28.706 1.00 0.00 H new ATOM 0 HB2 ALA A 35 17.559 17.099 30.201 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.344 17.435 28.639 1.00 0.00 H new ATOM 588 N PHE A 36 20.059 15.493 27.413 1.00 0.00 N ATOM 589 CA PHE A 36 20.494 14.985 26.084 1.00 0.00 C ATOM 590 C PHE A 36 21.171 13.628 26.272 1.00 0.00 C ATOM 591 O PHE A 36 20.678 12.610 25.827 1.00 0.00 O ATOM 592 CB PHE A 36 21.475 15.972 25.444 1.00 0.00 C ATOM 593 CG PHE A 36 20.696 17.099 24.812 1.00 0.00 C ATOM 594 CD1 PHE A 36 19.639 17.699 25.510 1.00 0.00 C ATOM 595 CD2 PHE A 36 21.019 17.530 23.523 1.00 0.00 C ATOM 596 CE1 PHE A 36 18.907 18.733 24.917 1.00 0.00 C ATOM 597 CE2 PHE A 36 20.287 18.563 22.929 1.00 0.00 C ATOM 598 CZ PHE A 36 19.229 19.164 23.626 1.00 0.00 C ATOM 0 H PHE A 36 20.563 16.313 27.751 1.00 0.00 H new ATOM 0 HA PHE A 36 19.629 14.878 25.430 1.00 0.00 H new ATOM 0 HB2 PHE A 36 22.160 16.363 26.196 1.00 0.00 H new ATOM 0 HB3 PHE A 36 22.082 15.466 24.693 1.00 0.00 H new ATOM 0 HD1 PHE A 36 19.390 17.363 26.506 1.00 0.00 H new ATOM 0 HD2 PHE A 36 21.833 17.066 22.986 1.00 0.00 H new ATOM 0 HE1 PHE A 36 18.094 19.198 25.455 1.00 0.00 H new ATOM 0 HE2 PHE A 36 20.537 18.898 21.933 1.00 0.00 H new ATOM 0 HZ PHE A 36 18.663 19.960 23.166 1.00 0.00 H new ATOM 608 N ALA A 37 22.295 13.600 26.935 1.00 0.00 N ATOM 609 CA ALA A 37 22.995 12.302 27.156 1.00 0.00 C ATOM 610 C ALA A 37 21.981 11.231 27.581 1.00 0.00 C ATOM 611 O ALA A 37 21.935 10.148 27.024 1.00 0.00 O ATOM 612 CB ALA A 37 24.036 12.468 28.265 1.00 0.00 C ATOM 0 H ALA A 37 22.758 14.417 27.332 1.00 0.00 H new ATOM 0 HA ALA A 37 23.483 11.997 26.230 1.00 0.00 H new ATOM 0 HB1 ALA A 37 24.549 11.520 28.428 1.00 0.00 H new ATOM 0 HB2 ALA A 37 24.761 13.227 27.972 1.00 0.00 H new ATOM 0 HB3 ALA A 37 23.541 12.775 29.186 1.00 0.00 H new ATOM 618 N ARG A 38 21.176 11.519 28.571 1.00 0.00 N ATOM 619 CA ARG A 38 20.180 10.509 29.038 1.00 0.00 C ATOM 620 C ARG A 38 19.248 10.129 27.898 1.00 0.00 C ATOM 621 O ARG A 38 19.076 8.966 27.594 1.00 0.00 O ATOM 622 CB ARG A 38 19.357 11.073 30.193 1.00 0.00 C ATOM 623 CG ARG A 38 19.214 9.995 31.269 1.00 0.00 C ATOM 624 CD ARG A 38 17.912 10.206 32.044 1.00 0.00 C ATOM 625 NE ARG A 38 18.104 9.755 33.449 1.00 0.00 N ATOM 626 CZ ARG A 38 17.999 8.490 33.762 1.00 0.00 C ATOM 627 NH1 ARG A 38 17.688 7.603 32.850 1.00 0.00 N ATOM 628 NH2 ARG A 38 18.204 8.112 34.992 1.00 0.00 N ATOM 0 H ARG A 38 21.165 12.406 29.074 1.00 0.00 H new ATOM 0 HA ARG A 38 20.719 9.625 29.378 1.00 0.00 H new ATOM 0 HB2 ARG A 38 19.843 11.957 30.606 1.00 0.00 H new ATOM 0 HB3 ARG A 38 18.375 11.386 29.839 1.00 0.00 H new ATOM 0 HG2 ARG A 38 19.218 9.007 30.809 1.00 0.00 H new ATOM 0 HG3 ARG A 38 20.064 10.033 31.950 1.00 0.00 H new ATOM 0 HD2 ARG A 38 17.628 11.258 32.022 1.00 0.00 H new ATOM 0 HD3 ARG A 38 17.101 9.647 31.577 1.00 0.00 H new ATOM 0 HE ARG A 38 18.319 10.439 34.174 1.00 0.00 H new ATOM 0 HH11 ARG A 38 17.526 7.897 31.887 1.00 0.00 H new ATOM 0 HH12 ARG A 38 17.608 6.618 33.103 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.445 8.802 35.704 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.124 7.127 35.243 1.00 0.00 H new ATOM 642 N ALA A 39 18.646 11.095 27.257 1.00 0.00 N ATOM 643 CA ALA A 39 17.737 10.772 26.123 1.00 0.00 C ATOM 644 C ALA A 39 18.418 9.712 25.266 1.00 0.00 C ATOM 645 O ALA A 39 17.868 8.663 24.994 1.00 0.00 O ATOM 646 CB ALA A 39 17.496 12.025 25.281 1.00 0.00 C ATOM 0 H ALA A 39 18.744 12.088 27.469 1.00 0.00 H new ATOM 0 HA ALA A 39 16.780 10.409 26.497 1.00 0.00 H new ATOM 0 HB1 ALA A 39 16.830 11.784 24.452 1.00 0.00 H new ATOM 0 HB2 ALA A 39 17.040 12.797 25.900 1.00 0.00 H new ATOM 0 HB3 ALA A 39 18.446 12.388 24.889 1.00 0.00 H new ATOM 652 N PHE A 40 19.633 9.969 24.866 1.00 0.00 N ATOM 653 CA PHE A 40 20.369 8.969 24.057 1.00 0.00 C ATOM 654 C PHE A 40 20.191 7.600 24.726 1.00 0.00 C ATOM 655 O PHE A 40 19.992 6.601 24.066 1.00 0.00 O ATOM 656 CB PHE A 40 21.859 9.365 23.999 1.00 0.00 C ATOM 657 CG PHE A 40 22.735 8.140 23.832 1.00 0.00 C ATOM 658 CD1 PHE A 40 22.343 7.110 22.973 1.00 0.00 C ATOM 659 CD2 PHE A 40 23.942 8.040 24.535 1.00 0.00 C ATOM 660 CE1 PHE A 40 23.153 5.980 22.821 1.00 0.00 C ATOM 661 CE2 PHE A 40 24.751 6.906 24.380 1.00 0.00 C ATOM 662 CZ PHE A 40 24.354 5.876 23.523 1.00 0.00 C ATOM 0 H PHE A 40 20.144 10.829 25.066 1.00 0.00 H new ATOM 0 HA PHE A 40 19.988 8.927 23.037 1.00 0.00 H new ATOM 0 HB2 PHE A 40 22.025 10.052 23.170 1.00 0.00 H new ATOM 0 HB3 PHE A 40 22.135 9.894 24.911 1.00 0.00 H new ATOM 0 HD1 PHE A 40 21.415 7.186 22.426 1.00 0.00 H new ATOM 0 HD2 PHE A 40 24.249 8.836 25.196 1.00 0.00 H new ATOM 0 HE1 PHE A 40 22.847 5.185 22.157 1.00 0.00 H new ATOM 0 HE2 PHE A 40 25.681 6.828 24.923 1.00 0.00 H new ATOM 0 HZ PHE A 40 24.976 5.001 23.404 1.00 0.00 H new ATOM 672 N GLN A 41 20.255 7.556 26.034 1.00 0.00 N ATOM 673 CA GLN A 41 20.088 6.258 26.757 1.00 0.00 C ATOM 674 C GLN A 41 18.628 5.789 26.694 1.00 0.00 C ATOM 675 O GLN A 41 18.345 4.629 26.884 1.00 0.00 O ATOM 676 CB GLN A 41 20.489 6.432 28.226 1.00 0.00 C ATOM 677 CG GLN A 41 21.463 5.317 28.624 1.00 0.00 C ATOM 678 CD GLN A 41 21.122 4.795 30.024 1.00 0.00 C ATOM 679 OE1 GLN A 41 20.556 5.589 30.894 1.00 0.00 O flip ATOM 680 NE2 GLN A 41 21.380 3.648 30.331 1.00 0.00 N flip ATOM 0 H GLN A 41 20.416 8.365 26.633 1.00 0.00 H new ATOM 0 HA GLN A 41 20.725 5.513 26.279 1.00 0.00 H new ATOM 0 HB2 GLN A 41 20.954 7.406 28.374 1.00 0.00 H new ATOM 0 HB3 GLN A 41 19.604 6.401 28.862 1.00 0.00 H new ATOM 0 HG2 GLN A 41 21.411 4.503 27.901 1.00 0.00 H new ATOM 0 HG3 GLN A 41 22.486 5.694 28.607 1.00 0.00 H new ATOM 0 HE21 GLN A 41 21.822 3.026 29.654 1.00 0.00 H new ATOM 0 HE22 GLN A 41 21.155 3.307 31.266 1.00 0.00 H new ATOM 689 N VAL A 42 17.691 6.661 26.434 1.00 0.00 N ATOM 690 CA VAL A 42 16.269 6.202 26.376 1.00 0.00 C ATOM 691 C VAL A 42 15.960 5.698 24.964 1.00 0.00 C ATOM 692 O VAL A 42 15.178 4.789 24.767 1.00 0.00 O ATOM 693 CB VAL A 42 15.338 7.362 26.763 1.00 0.00 C ATOM 694 CG1 VAL A 42 14.907 8.158 25.530 1.00 0.00 C ATOM 695 CG2 VAL A 42 14.095 6.809 27.467 1.00 0.00 C ATOM 0 H VAL A 42 17.842 7.655 26.262 1.00 0.00 H new ATOM 0 HA VAL A 42 16.109 5.386 27.080 1.00 0.00 H new ATOM 0 HB VAL A 42 15.883 8.028 27.432 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.249 8.972 25.834 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.788 8.568 25.036 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.377 7.501 24.840 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.435 7.632 27.741 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.569 6.130 26.796 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.395 6.270 28.366 1.00 0.00 H new ATOM 705 N TRP A 43 16.581 6.288 23.988 1.00 0.00 N ATOM 706 CA TRP A 43 16.348 5.858 22.571 1.00 0.00 C ATOM 707 C TRP A 43 17.366 4.785 22.202 1.00 0.00 C ATOM 708 O TRP A 43 17.181 4.026 21.269 1.00 0.00 O ATOM 709 CB TRP A 43 16.513 7.050 21.627 1.00 0.00 C ATOM 710 CG TRP A 43 15.172 7.625 21.309 1.00 0.00 C ATOM 711 CD1 TRP A 43 14.392 8.305 22.179 1.00 0.00 C ATOM 712 CD2 TRP A 43 14.443 7.583 20.049 1.00 0.00 C ATOM 713 NE1 TRP A 43 13.231 8.689 21.532 1.00 0.00 N ATOM 714 CE2 TRP A 43 13.215 8.264 20.216 1.00 0.00 C ATOM 715 CE3 TRP A 43 14.726 7.024 18.789 1.00 0.00 C ATOM 716 CZ2 TRP A 43 12.300 8.390 19.170 1.00 0.00 C ATOM 717 CZ3 TRP A 43 13.809 7.150 17.733 1.00 0.00 C ATOM 718 CH2 TRP A 43 12.597 7.830 17.924 1.00 0.00 C ATOM 0 H TRP A 43 17.245 7.054 24.103 1.00 0.00 H new ATOM 0 HA TRP A 43 15.336 5.464 22.478 1.00 0.00 H new ATOM 0 HB2 TRP A 43 17.145 7.808 22.089 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.012 6.735 20.710 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.635 8.514 23.210 1.00 0.00 H new ATOM 0 HE1 TRP A 43 12.479 9.220 21.971 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.654 6.495 18.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.369 8.916 19.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 14.038 6.721 16.769 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.894 7.921 17.109 1.00 0.00 H new ATOM 729 N SER A 44 18.428 4.705 22.943 1.00 0.00 N ATOM 730 CA SER A 44 19.459 3.671 22.674 1.00 0.00 C ATOM 731 C SER A 44 19.113 2.443 23.503 1.00 0.00 C ATOM 732 O SER A 44 19.504 1.332 23.205 1.00 0.00 O ATOM 733 CB SER A 44 20.825 4.213 23.087 1.00 0.00 C ATOM 734 OG SER A 44 21.808 3.192 22.955 1.00 0.00 O ATOM 0 H SER A 44 18.629 5.318 23.733 1.00 0.00 H new ATOM 0 HA SER A 44 19.488 3.412 21.616 1.00 0.00 H new ATOM 0 HB2 SER A 44 21.090 5.068 22.466 1.00 0.00 H new ATOM 0 HB3 SER A 44 20.790 4.566 24.118 1.00 0.00 H new ATOM 0 HG SER A 44 22.700 3.580 23.074 1.00 0.00 H new ATOM 740 N ASP A 45 18.371 2.655 24.554 1.00 0.00 N ATOM 741 CA ASP A 45 17.973 1.530 25.443 1.00 0.00 C ATOM 742 C ASP A 45 17.060 0.558 24.691 1.00 0.00 C ATOM 743 O ASP A 45 16.700 -0.485 25.199 1.00 0.00 O ATOM 744 CB ASP A 45 17.247 2.096 26.661 1.00 0.00 C ATOM 745 CG ASP A 45 18.260 2.276 27.792 1.00 0.00 C ATOM 746 OD1 ASP A 45 19.296 1.634 27.735 1.00 0.00 O ATOM 747 OD2 ASP A 45 17.992 3.061 28.687 1.00 0.00 O ATOM 0 H ASP A 45 18.020 3.570 24.837 1.00 0.00 H new ATOM 0 HA ASP A 45 18.862 0.987 25.764 1.00 0.00 H new ATOM 0 HB2 ASP A 45 16.782 3.050 26.414 1.00 0.00 H new ATOM 0 HB3 ASP A 45 16.448 1.423 26.972 1.00 0.00 H new ATOM 752 N VAL A 46 16.684 0.887 23.488 1.00 0.00 N ATOM 753 CA VAL A 46 15.800 -0.023 22.715 1.00 0.00 C ATOM 754 C VAL A 46 16.487 -0.449 21.413 1.00 0.00 C ATOM 755 O VAL A 46 15.910 -1.130 20.587 1.00 0.00 O ATOM 756 CB VAL A 46 14.516 0.707 22.381 1.00 0.00 C ATOM 757 CG1 VAL A 46 14.833 1.914 21.504 1.00 0.00 C ATOM 758 CG2 VAL A 46 13.596 -0.242 21.635 1.00 0.00 C ATOM 0 H VAL A 46 16.951 1.746 23.008 1.00 0.00 H new ATOM 0 HA VAL A 46 15.588 -0.910 23.312 1.00 0.00 H new ATOM 0 HB VAL A 46 14.030 1.048 23.295 1.00 0.00 H new ATOM 0 HG11 VAL A 46 13.910 2.441 21.263 1.00 0.00 H new ATOM 0 HG12 VAL A 46 15.505 2.586 22.038 1.00 0.00 H new ATOM 0 HG13 VAL A 46 15.311 1.579 20.583 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.667 0.271 21.388 1.00 0.00 H new ATOM 0 HG22 VAL A 46 14.082 -0.574 20.718 1.00 0.00 H new ATOM 0 HG23 VAL A 46 13.378 -1.106 22.263 1.00 0.00 H new ATOM 768 N THR A 47 17.715 -0.058 21.227 1.00 0.00 N ATOM 769 CA THR A 47 18.445 -0.442 19.988 1.00 0.00 C ATOM 770 C THR A 47 19.943 -0.322 20.249 1.00 0.00 C ATOM 771 O THR A 47 20.369 0.502 21.036 1.00 0.00 O ATOM 772 CB THR A 47 18.046 0.479 18.834 1.00 0.00 C ATOM 773 OG1 THR A 47 18.760 0.118 17.660 1.00 0.00 O ATOM 774 CG2 THR A 47 18.376 1.917 19.202 1.00 0.00 C ATOM 0 H THR A 47 18.247 0.514 21.883 1.00 0.00 H new ATOM 0 HA THR A 47 18.193 -1.467 19.716 1.00 0.00 H new ATOM 0 HB THR A 47 16.976 0.381 18.648 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.499 0.710 16.924 1.00 0.00 H new ATOM 0 HG21 THR A 47 18.093 2.577 18.382 1.00 0.00 H new ATOM 0 HG22 THR A 47 17.826 2.198 20.100 1.00 0.00 H new ATOM 0 HG23 THR A 47 19.446 2.008 19.388 1.00 0.00 H new ATOM 782 N PRO A 48 20.700 -1.152 19.590 1.00 0.00 N ATOM 783 CA PRO A 48 22.158 -1.169 19.737 1.00 0.00 C ATOM 784 C PRO A 48 22.779 -0.027 18.916 1.00 0.00 C ATOM 785 O PRO A 48 23.700 -0.231 18.152 1.00 0.00 O ATOM 786 CB PRO A 48 22.554 -2.546 19.186 1.00 0.00 C ATOM 787 CG PRO A 48 21.403 -2.985 18.245 1.00 0.00 C ATOM 788 CD PRO A 48 20.173 -2.148 18.635 1.00 0.00 C ATOM 0 HA PRO A 48 22.501 -1.022 20.761 1.00 0.00 H new ATOM 0 HB2 PRO A 48 23.499 -2.491 18.645 1.00 0.00 H new ATOM 0 HB3 PRO A 48 22.690 -3.264 19.995 1.00 0.00 H new ATOM 0 HG2 PRO A 48 21.670 -2.818 17.202 1.00 0.00 H new ATOM 0 HG3 PRO A 48 21.198 -4.050 18.355 1.00 0.00 H new ATOM 0 HD2 PRO A 48 19.726 -1.668 17.765 1.00 0.00 H new ATOM 0 HD3 PRO A 48 19.399 -2.766 19.091 1.00 0.00 H new ATOM 796 N LEU A 49 22.271 1.175 19.067 1.00 0.00 N ATOM 797 CA LEU A 49 22.824 2.332 18.297 1.00 0.00 C ATOM 798 C LEU A 49 23.887 3.049 19.133 1.00 0.00 C ATOM 799 O LEU A 49 23.840 3.064 20.348 1.00 0.00 O ATOM 800 CB LEU A 49 21.700 3.322 17.965 1.00 0.00 C ATOM 801 CG LEU A 49 21.934 3.914 16.576 1.00 0.00 C ATOM 802 CD1 LEU A 49 21.687 2.835 15.521 1.00 0.00 C ATOM 803 CD2 LEU A 49 20.973 5.088 16.340 1.00 0.00 C ATOM 0 H LEU A 49 21.497 1.403 19.691 1.00 0.00 H new ATOM 0 HA LEU A 49 23.270 1.960 17.374 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.735 2.817 17.998 1.00 0.00 H new ATOM 0 HB3 LEU A 49 21.670 4.117 18.710 1.00 0.00 H new ATOM 0 HG LEU A 49 22.961 4.273 16.505 1.00 0.00 H new ATOM 0 HD11 LEU A 49 21.853 3.252 14.528 1.00 0.00 H new ATOM 0 HD12 LEU A 49 22.372 2.003 15.684 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.660 2.479 15.598 1.00 0.00 H new ATOM 0 HD21 LEU A 49 21.145 5.505 15.348 1.00 0.00 H new ATOM 0 HD22 LEU A 49 19.944 4.736 16.412 1.00 0.00 H new ATOM 0 HD23 LEU A 49 21.147 5.857 17.092 1.00 0.00 H new ATOM 815 N ARG A 50 24.844 3.647 18.482 1.00 0.00 N ATOM 816 CA ARG A 50 25.918 4.371 19.217 1.00 0.00 C ATOM 817 C ARG A 50 25.955 5.830 18.742 1.00 0.00 C ATOM 818 O ARG A 50 25.852 6.106 17.565 1.00 0.00 O ATOM 819 CB ARG A 50 27.258 3.691 18.926 1.00 0.00 C ATOM 820 CG ARG A 50 28.318 4.190 19.904 1.00 0.00 C ATOM 821 CD ARG A 50 28.244 3.383 21.202 1.00 0.00 C ATOM 822 NE ARG A 50 28.750 4.221 22.323 1.00 0.00 N ATOM 823 CZ ARG A 50 28.427 3.943 23.556 1.00 0.00 C ATOM 824 NH1 ARG A 50 27.675 2.910 23.826 1.00 0.00 N ATOM 825 NH2 ARG A 50 28.867 4.699 24.523 1.00 0.00 N ATOM 0 H ARG A 50 24.929 3.666 17.466 1.00 0.00 H new ATOM 0 HA ARG A 50 25.725 4.349 20.290 1.00 0.00 H new ATOM 0 HB2 ARG A 50 27.153 2.609 19.011 1.00 0.00 H new ATOM 0 HB3 ARG A 50 27.568 3.901 17.902 1.00 0.00 H new ATOM 0 HG2 ARG A 50 29.309 4.094 19.461 1.00 0.00 H new ATOM 0 HG3 ARG A 50 28.164 5.249 20.113 1.00 0.00 H new ATOM 0 HD2 ARG A 50 27.216 3.075 21.396 1.00 0.00 H new ATOM 0 HD3 ARG A 50 28.838 2.473 21.114 1.00 0.00 H new ATOM 0 HE ARG A 50 29.354 5.019 22.126 1.00 0.00 H new ATOM 0 HH11 ARG A 50 27.336 2.314 23.070 1.00 0.00 H new ATOM 0 HH12 ARG A 50 27.427 2.699 24.792 1.00 0.00 H new ATOM 0 HH21 ARG A 50 29.460 5.502 24.313 1.00 0.00 H new ATOM 0 HH22 ARG A 50 28.618 4.487 25.489 1.00 0.00 H new ATOM 839 N PHE A 51 26.087 6.771 19.646 1.00 0.00 N ATOM 840 CA PHE A 51 26.112 8.207 19.229 1.00 0.00 C ATOM 841 C PHE A 51 27.500 8.806 19.479 1.00 0.00 C ATOM 842 O PHE A 51 28.210 8.412 20.381 1.00 0.00 O ATOM 843 CB PHE A 51 25.074 8.994 20.031 1.00 0.00 C ATOM 844 CG PHE A 51 23.687 8.563 19.619 1.00 0.00 C ATOM 845 CD1 PHE A 51 23.285 7.238 19.816 1.00 0.00 C ATOM 846 CD2 PHE A 51 22.804 9.485 19.043 1.00 0.00 C ATOM 847 CE1 PHE A 51 22.002 6.833 19.438 1.00 0.00 C ATOM 848 CE2 PHE A 51 21.519 9.080 18.664 1.00 0.00 C ATOM 849 CZ PHE A 51 21.119 7.751 18.863 1.00 0.00 C ATOM 0 H PHE A 51 26.178 6.607 20.649 1.00 0.00 H new ATOM 0 HA PHE A 51 25.880 8.267 18.166 1.00 0.00 H new ATOM 0 HB2 PHE A 51 25.217 8.823 21.098 1.00 0.00 H new ATOM 0 HB3 PHE A 51 25.200 10.063 19.859 1.00 0.00 H new ATOM 0 HD1 PHE A 51 23.966 6.528 20.260 1.00 0.00 H new ATOM 0 HD2 PHE A 51 23.115 10.508 18.891 1.00 0.00 H new ATOM 0 HE1 PHE A 51 21.693 5.810 19.590 1.00 0.00 H new ATOM 0 HE2 PHE A 51 20.837 9.790 18.219 1.00 0.00 H new ATOM 0 HZ PHE A 51 20.128 7.436 18.572 1.00 0.00 H new ATOM 859 N SER A 52 27.888 9.763 18.677 1.00 0.00 N ATOM 860 CA SER A 52 29.229 10.398 18.855 1.00 0.00 C ATOM 861 C SER A 52 29.081 11.917 18.996 1.00 0.00 C ATOM 862 O SER A 52 28.490 12.572 18.164 1.00 0.00 O ATOM 863 CB SER A 52 30.100 10.096 17.636 1.00 0.00 C ATOM 864 OG SER A 52 31.452 9.941 18.050 1.00 0.00 O ATOM 0 H SER A 52 27.334 10.133 17.905 1.00 0.00 H new ATOM 0 HA SER A 52 29.692 9.995 19.756 1.00 0.00 H new ATOM 0 HB2 SER A 52 29.753 9.188 17.143 1.00 0.00 H new ATOM 0 HB3 SER A 52 30.021 10.904 16.909 1.00 0.00 H new ATOM 0 HG SER A 52 32.013 9.746 17.270 1.00 0.00 H new ATOM 870 N ARG A 53 29.632 12.484 20.039 1.00 0.00 N ATOM 871 CA ARG A 53 29.541 13.960 20.220 1.00 0.00 C ATOM 872 C ARG A 53 30.560 14.625 19.296 1.00 0.00 C ATOM 873 O ARG A 53 31.731 14.301 19.311 1.00 0.00 O ATOM 874 CB ARG A 53 29.862 14.327 21.671 1.00 0.00 C ATOM 875 CG ARG A 53 28.705 13.912 22.587 1.00 0.00 C ATOM 876 CD ARG A 53 29.030 14.283 24.043 1.00 0.00 C ATOM 877 NE ARG A 53 30.490 14.560 24.177 1.00 0.00 N ATOM 878 CZ ARG A 53 31.342 13.571 24.268 1.00 0.00 C ATOM 879 NH1 ARG A 53 30.918 12.335 24.278 1.00 0.00 N ATOM 880 NH2 ARG A 53 32.619 13.821 24.347 1.00 0.00 N ATOM 0 H ARG A 53 30.140 11.987 20.771 1.00 0.00 H new ATOM 0 HA ARG A 53 28.533 14.299 19.982 1.00 0.00 H new ATOM 0 HB2 ARG A 53 30.781 13.831 21.985 1.00 0.00 H new ATOM 0 HB3 ARG A 53 30.035 15.400 21.753 1.00 0.00 H new ATOM 0 HG2 ARG A 53 27.786 14.407 22.273 1.00 0.00 H new ATOM 0 HG3 ARG A 53 28.533 12.839 22.506 1.00 0.00 H new ATOM 0 HD2 ARG A 53 28.455 15.159 24.342 1.00 0.00 H new ATOM 0 HD3 ARG A 53 28.742 13.470 24.709 1.00 0.00 H new ATOM 0 HE ARG A 53 30.825 15.523 24.198 1.00 0.00 H new ATOM 0 HH11 ARG A 53 29.919 12.138 24.215 1.00 0.00 H new ATOM 0 HH12 ARG A 53 31.586 11.567 24.349 1.00 0.00 H new ATOM 0 HH21 ARG A 53 32.951 14.785 24.338 1.00 0.00 H new ATOM 0 HH22 ARG A 53 33.286 13.052 24.418 1.00 0.00 H new ATOM 894 N ILE A 54 30.128 15.549 18.491 1.00 0.00 N ATOM 895 CA ILE A 54 31.076 16.228 17.562 1.00 0.00 C ATOM 896 C ILE A 54 31.208 17.698 17.963 1.00 0.00 C ATOM 897 O ILE A 54 30.250 18.339 18.348 1.00 0.00 O ATOM 898 CB ILE A 54 30.548 16.109 16.131 1.00 0.00 C ATOM 899 CG1 ILE A 54 31.310 17.057 15.199 1.00 0.00 C ATOM 900 CG2 ILE A 54 29.071 16.468 16.106 1.00 0.00 C ATOM 901 CD1 ILE A 54 31.551 16.361 13.857 1.00 0.00 C ATOM 0 H ILE A 54 29.160 15.866 18.433 1.00 0.00 H new ATOM 0 HA ILE A 54 32.058 15.758 17.617 1.00 0.00 H new ATOM 0 HB ILE A 54 30.690 15.084 15.789 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.740 17.974 15.049 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.261 17.342 15.650 1.00 0.00 H new ATOM 0 HG21 ILE A 54 28.693 16.384 15.087 1.00 0.00 H new ATOM 0 HG22 ILE A 54 28.520 15.787 16.755 1.00 0.00 H new ATOM 0 HG23 ILE A 54 28.939 17.491 16.458 1.00 0.00 H new ATOM 0 HD11 ILE A 54 32.093 17.032 13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 54 32.138 15.456 14.016 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.594 16.098 13.407 1.00 0.00 H new ATOM 913 N HIS A 55 32.394 18.231 17.882 1.00 0.00 N ATOM 914 CA HIS A 55 32.602 19.650 18.264 1.00 0.00 C ATOM 915 C HIS A 55 31.984 20.546 17.190 1.00 0.00 C ATOM 916 O HIS A 55 30.977 20.214 16.595 1.00 0.00 O ATOM 917 CB HIS A 55 34.107 19.936 18.357 1.00 0.00 C ATOM 918 CG HIS A 55 34.788 18.943 19.263 1.00 0.00 C ATOM 919 ND1 HIS A 55 34.559 17.612 19.523 1.00 0.00 N flip ATOM 920 CD2 HIS A 55 35.892 19.290 20.026 1.00 0.00 C flip ATOM 921 CE1 HIS A 55 35.505 17.143 20.431 1.00 0.00 C flip ATOM 922 NE2 HIS A 55 36.283 18.193 20.701 1.00 0.00 N flip ATOM 0 H HIS A 55 33.231 17.741 17.566 1.00 0.00 H new ATOM 0 HA HIS A 55 32.134 19.847 19.228 1.00 0.00 H new ATOM 0 HB2 HIS A 55 34.552 19.892 17.363 1.00 0.00 H new ATOM 0 HB3 HIS A 55 34.267 20.947 18.733 1.00 0.00 H new ATOM 0 HD2 HIS A 55 36.355 20.265 20.071 1.00 0.00 H new ATOM 0 HE1 HIS A 55 35.591 16.143 20.831 1.00 0.00 H new ATOM 0 HE2 HIS A 55 37.077 18.167 21.341 1.00 0.00 H new ATOM 930 N ASP A 56 32.585 21.672 16.924 1.00 0.00 N ATOM 931 CA ASP A 56 32.043 22.573 15.873 1.00 0.00 C ATOM 932 C ASP A 56 32.472 22.038 14.499 1.00 0.00 C ATOM 933 O ASP A 56 33.057 20.978 14.396 1.00 0.00 O ATOM 934 CB ASP A 56 32.606 23.982 16.076 1.00 0.00 C ATOM 935 CG ASP A 56 32.441 24.401 17.537 1.00 0.00 C ATOM 936 OD1 ASP A 56 31.488 23.962 18.155 1.00 0.00 O ATOM 937 OD2 ASP A 56 33.268 25.157 18.010 1.00 0.00 O ATOM 0 H ASP A 56 33.429 22.006 17.390 1.00 0.00 H new ATOM 0 HA ASP A 56 30.955 22.610 15.932 1.00 0.00 H new ATOM 0 HB2 ASP A 56 33.660 24.006 15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 56 32.089 24.687 15.425 1.00 0.00 H new ATOM 942 N GLY A 57 32.192 22.758 13.446 1.00 0.00 N ATOM 943 CA GLY A 57 32.592 22.282 12.090 1.00 0.00 C ATOM 944 C GLY A 57 31.434 21.510 11.453 1.00 0.00 C ATOM 945 O GLY A 57 31.623 20.472 10.848 1.00 0.00 O ATOM 0 H GLY A 57 31.704 23.654 13.466 1.00 0.00 H new ATOM 0 HA2 GLY A 57 32.866 23.130 11.462 1.00 0.00 H new ATOM 0 HA3 GLY A 57 33.472 21.643 12.163 1.00 0.00 H new ATOM 949 N GLU A 58 30.237 22.011 11.587 1.00 0.00 N ATOM 950 CA GLU A 58 29.055 21.316 10.997 1.00 0.00 C ATOM 951 C GLU A 58 28.872 19.957 11.687 1.00 0.00 C ATOM 952 O GLU A 58 29.781 19.436 12.303 1.00 0.00 O ATOM 953 CB GLU A 58 29.246 21.171 9.469 1.00 0.00 C ATOM 954 CG GLU A 58 29.598 19.732 9.064 1.00 0.00 C ATOM 955 CD GLU A 58 30.475 19.764 7.808 1.00 0.00 C ATOM 956 OE1 GLU A 58 30.627 20.834 7.245 1.00 0.00 O ATOM 957 OE2 GLU A 58 30.979 18.722 7.435 1.00 0.00 O ATOM 0 H GLU A 58 30.024 22.877 12.082 1.00 0.00 H new ATOM 0 HA GLU A 58 28.149 21.900 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 58 28.332 21.477 8.959 1.00 0.00 H new ATOM 0 HB3 GLU A 58 30.037 21.844 9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 58 30.124 19.231 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 58 28.689 19.162 8.873 1.00 0.00 H new ATOM 964 N ALA A 59 27.697 19.392 11.601 1.00 0.00 N ATOM 965 CA ALA A 59 27.446 18.076 12.264 1.00 0.00 C ATOM 966 C ALA A 59 26.327 17.334 11.521 1.00 0.00 C ATOM 967 O ALA A 59 25.430 17.938 10.968 1.00 0.00 O ATOM 968 CB ALA A 59 27.002 18.308 13.711 1.00 0.00 C ATOM 0 H ALA A 59 26.899 19.784 11.101 1.00 0.00 H new ATOM 0 HA ALA A 59 28.362 17.486 12.245 1.00 0.00 H new ATOM 0 HB1 ALA A 59 26.819 17.348 14.194 1.00 0.00 H new ATOM 0 HB2 ALA A 59 27.784 18.842 14.250 1.00 0.00 H new ATOM 0 HB3 ALA A 59 26.086 18.899 13.720 1.00 0.00 H new ATOM 974 N ASP A 60 26.372 16.029 11.510 1.00 0.00 N ATOM 975 CA ASP A 60 25.313 15.242 10.812 1.00 0.00 C ATOM 976 C ASP A 60 23.942 15.684 11.337 1.00 0.00 C ATOM 977 O ASP A 60 23.115 16.184 10.599 1.00 0.00 O ATOM 978 CB ASP A 60 25.525 13.750 11.095 1.00 0.00 C ATOM 979 CG ASP A 60 27.012 13.396 10.960 1.00 0.00 C ATOM 980 OD1 ASP A 60 27.836 14.173 11.415 1.00 0.00 O ATOM 981 OD2 ASP A 60 27.301 12.344 10.416 1.00 0.00 O ATOM 0 H ASP A 60 27.100 15.471 11.956 1.00 0.00 H new ATOM 0 HA ASP A 60 25.363 15.412 9.737 1.00 0.00 H new ATOM 0 HB2 ASP A 60 25.175 13.509 12.099 1.00 0.00 H new ATOM 0 HB3 ASP A 60 24.936 13.152 10.400 1.00 0.00 H new ATOM 986 N ILE A 61 23.715 15.535 12.613 1.00 0.00 N ATOM 987 CA ILE A 61 22.416 15.982 13.208 1.00 0.00 C ATOM 988 C ILE A 61 22.696 17.282 13.965 1.00 0.00 C ATOM 989 O ILE A 61 23.569 17.332 14.809 1.00 0.00 O ATOM 990 CB ILE A 61 21.865 14.930 14.178 1.00 0.00 C ATOM 991 CG1 ILE A 61 22.971 13.946 14.550 1.00 0.00 C ATOM 992 CG2 ILE A 61 20.714 14.167 13.522 1.00 0.00 C ATOM 993 CD1 ILE A 61 22.391 12.752 15.307 1.00 0.00 C ATOM 0 H ILE A 61 24.373 15.122 13.274 1.00 0.00 H new ATOM 0 HA ILE A 61 21.673 16.127 12.424 1.00 0.00 H new ATOM 0 HB ILE A 61 21.502 15.432 15.075 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.478 13.602 13.649 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.719 14.446 15.165 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.328 13.422 14.218 1.00 0.00 H new ATOM 0 HG22 ILE A 61 19.918 14.864 13.259 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.074 13.670 12.621 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.193 12.060 15.565 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.905 13.100 16.219 1.00 0.00 H new ATOM 0 HD13 ILE A 61 21.660 12.243 14.678 1.00 0.00 H new ATOM 1005 N MET A 62 21.999 18.341 13.664 1.00 0.00 N ATOM 1006 CA MET A 62 22.296 19.625 14.363 1.00 0.00 C ATOM 1007 C MET A 62 21.142 20.028 15.282 1.00 0.00 C ATOM 1008 O MET A 62 20.060 20.345 14.834 1.00 0.00 O ATOM 1009 CB MET A 62 22.522 20.722 13.318 1.00 0.00 C ATOM 1010 CG MET A 62 23.701 20.342 12.414 1.00 0.00 C ATOM 1011 SD MET A 62 23.981 21.653 11.194 1.00 0.00 S ATOM 1012 CE MET A 62 25.074 22.697 12.192 1.00 0.00 C ATOM 0 H MET A 62 21.247 18.376 12.975 1.00 0.00 H new ATOM 0 HA MET A 62 23.190 19.493 14.973 1.00 0.00 H new ATOM 0 HB2 MET A 62 21.621 20.858 12.719 1.00 0.00 H new ATOM 0 HB3 MET A 62 22.722 21.673 13.812 1.00 0.00 H new ATOM 0 HG2 MET A 62 24.599 20.192 13.014 1.00 0.00 H new ATOM 0 HG3 MET A 62 23.495 19.399 11.908 1.00 0.00 H new ATOM 0 HE1 MET A 62 25.367 23.574 11.615 1.00 0.00 H new ATOM 0 HE2 MET A 62 24.550 23.015 13.094 1.00 0.00 H new ATOM 0 HE3 MET A 62 25.964 22.132 12.469 1.00 0.00 H new ATOM 1022 N ILE A 63 21.369 20.035 16.568 1.00 0.00 N ATOM 1023 CA ILE A 63 20.283 20.435 17.514 1.00 0.00 C ATOM 1024 C ILE A 63 20.534 21.867 17.999 1.00 0.00 C ATOM 1025 O ILE A 63 21.641 22.363 17.943 1.00 0.00 O ATOM 1026 CB ILE A 63 20.266 19.488 18.718 1.00 0.00 C ATOM 1027 CG1 ILE A 63 19.616 18.159 18.313 1.00 0.00 C ATOM 1028 CG2 ILE A 63 19.460 20.127 19.856 1.00 0.00 C ATOM 1029 CD1 ILE A 63 20.638 17.026 18.457 1.00 0.00 C ATOM 0 H ILE A 63 22.255 19.782 17.005 1.00 0.00 H new ATOM 0 HA ILE A 63 19.323 20.382 17.001 1.00 0.00 H new ATOM 0 HB ILE A 63 21.287 19.305 19.053 1.00 0.00 H new ATOM 0 HG12 ILE A 63 18.747 17.961 18.940 1.00 0.00 H new ATOM 0 HG13 ILE A 63 19.261 18.214 17.284 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.446 19.455 20.714 1.00 0.00 H new ATOM 0 HG22 ILE A 63 19.921 21.072 20.143 1.00 0.00 H new ATOM 0 HG23 ILE A 63 18.439 20.309 19.521 1.00 0.00 H new ATOM 0 HD11 ILE A 63 20.177 16.081 18.169 1.00 0.00 H new ATOM 0 HD12 ILE A 63 21.494 17.224 17.811 1.00 0.00 H new ATOM 0 HD13 ILE A 63 20.972 16.966 19.493 1.00 0.00 H new ATOM 1041 N ASN A 64 19.515 22.525 18.491 1.00 0.00 N ATOM 1042 CA ASN A 64 19.689 23.907 18.991 1.00 0.00 C ATOM 1043 C ASN A 64 18.330 24.477 19.389 1.00 0.00 C ATOM 1044 O ASN A 64 17.348 23.767 19.463 1.00 0.00 O ATOM 1045 CB ASN A 64 20.308 24.782 17.901 1.00 0.00 C ATOM 1046 CG ASN A 64 19.562 24.560 16.581 1.00 0.00 C ATOM 1047 OD1 ASN A 64 19.518 23.456 16.074 1.00 0.00 O ATOM 1048 ND2 ASN A 64 18.965 25.571 16.000 1.00 0.00 N ATOM 0 H ASN A 64 18.567 22.155 18.565 1.00 0.00 H new ATOM 0 HA ASN A 64 20.350 23.894 19.857 1.00 0.00 H new ATOM 0 HB2 ASN A 64 20.255 25.832 18.189 1.00 0.00 H new ATOM 0 HB3 ASN A 64 21.363 24.538 17.780 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.464 25.432 15.123 1.00 0.00 H new ATOM 0 HD22 ASN A 64 19.002 26.498 16.425 1.00 0.00 H new ATOM 1055 N PHE A 65 18.263 25.752 19.639 1.00 0.00 N ATOM 1056 CA PHE A 65 16.963 26.355 20.025 1.00 0.00 C ATOM 1057 C PHE A 65 16.529 27.347 18.945 1.00 0.00 C ATOM 1058 O PHE A 65 17.237 27.586 17.988 1.00 0.00 O ATOM 1059 CB PHE A 65 17.103 27.055 21.377 1.00 0.00 C ATOM 1060 CG PHE A 65 16.969 26.020 22.471 1.00 0.00 C ATOM 1061 CD1 PHE A 65 15.701 25.654 22.938 1.00 0.00 C ATOM 1062 CD2 PHE A 65 18.112 25.417 23.005 1.00 0.00 C ATOM 1063 CE1 PHE A 65 15.577 24.683 23.941 1.00 0.00 C ATOM 1064 CE2 PHE A 65 17.989 24.448 24.005 1.00 0.00 C ATOM 1065 CZ PHE A 65 16.723 24.078 24.472 1.00 0.00 C ATOM 0 H PHE A 65 19.049 26.400 19.593 1.00 0.00 H new ATOM 0 HA PHE A 65 16.204 25.578 20.116 1.00 0.00 H new ATOM 0 HB2 PHE A 65 18.069 27.556 21.446 1.00 0.00 H new ATOM 0 HB3 PHE A 65 16.337 27.823 21.487 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.818 26.120 22.525 1.00 0.00 H new ATOM 0 HD2 PHE A 65 19.090 25.700 22.645 1.00 0.00 H new ATOM 0 HE1 PHE A 65 14.599 24.402 24.304 1.00 0.00 H new ATOM 0 HE2 PHE A 65 18.873 23.984 24.418 1.00 0.00 H new ATOM 0 HZ PHE A 65 16.630 23.326 25.242 1.00 0.00 H new ATOM 1075 N GLY A 66 15.362 27.909 19.078 1.00 0.00 N ATOM 1076 CA GLY A 66 14.874 28.865 18.045 1.00 0.00 C ATOM 1077 C GLY A 66 14.327 30.120 18.717 1.00 0.00 C ATOM 1078 O GLY A 66 13.162 30.203 19.047 1.00 0.00 O ATOM 0 H GLY A 66 14.724 27.748 19.857 1.00 0.00 H new ATOM 0 HA2 GLY A 66 15.687 29.129 17.368 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.096 28.397 17.442 1.00 0.00 H new ATOM 1082 N ARG A 67 15.155 31.100 18.916 1.00 0.00 N ATOM 1083 CA ARG A 67 14.681 32.354 19.556 1.00 0.00 C ATOM 1084 C ARG A 67 13.797 33.100 18.545 1.00 0.00 C ATOM 1085 O ARG A 67 13.103 32.485 17.759 1.00 0.00 O ATOM 1086 CB ARG A 67 15.893 33.208 19.958 1.00 0.00 C ATOM 1087 CG ARG A 67 17.046 32.297 20.417 1.00 0.00 C ATOM 1088 CD ARG A 67 18.265 32.551 19.529 1.00 0.00 C ATOM 1089 NE ARG A 67 19.114 31.329 19.449 1.00 0.00 N ATOM 1090 CZ ARG A 67 20.323 31.418 18.965 1.00 0.00 C ATOM 1091 NH1 ARG A 67 20.792 32.579 18.594 1.00 0.00 N ATOM 1092 NH2 ARG A 67 21.072 30.352 18.863 1.00 0.00 N ATOM 0 H ARG A 67 16.143 31.088 18.663 1.00 0.00 H new ATOM 0 HA ARG A 67 14.102 32.140 20.455 1.00 0.00 H new ATOM 0 HB2 ARG A 67 16.214 33.819 19.114 1.00 0.00 H new ATOM 0 HB3 ARG A 67 15.617 33.892 20.760 1.00 0.00 H new ATOM 0 HG2 ARG A 67 17.292 32.497 21.460 1.00 0.00 H new ATOM 0 HG3 ARG A 67 16.747 31.251 20.355 1.00 0.00 H new ATOM 0 HD2 ARG A 67 17.941 32.842 18.530 1.00 0.00 H new ATOM 0 HD3 ARG A 67 18.848 33.381 19.929 1.00 0.00 H new ATOM 0 HE ARG A 67 18.753 30.430 19.770 1.00 0.00 H new ATOM 0 HH11 ARG A 67 20.214 33.415 18.683 1.00 0.00 H new ATOM 0 HH12 ARG A 67 21.737 32.650 18.216 1.00 0.00 H new ATOM 0 HH21 ARG A 67 20.712 29.446 19.162 1.00 0.00 H new ATOM 0 HH22 ARG A 67 22.016 30.426 18.484 1.00 0.00 H new ATOM 1106 N TRP A 68 13.807 34.406 18.539 1.00 0.00 N ATOM 1107 CA TRP A 68 12.955 35.140 17.552 1.00 0.00 C ATOM 1108 C TRP A 68 13.438 34.799 16.139 1.00 0.00 C ATOM 1109 O TRP A 68 13.911 33.710 15.883 1.00 0.00 O ATOM 1110 CB TRP A 68 13.076 36.653 17.763 1.00 0.00 C ATOM 1111 CG TRP A 68 13.252 36.957 19.214 1.00 0.00 C ATOM 1112 CD1 TRP A 68 14.227 37.742 19.729 1.00 0.00 C ATOM 1113 CD2 TRP A 68 12.450 36.506 20.341 1.00 0.00 C ATOM 1114 NE1 TRP A 68 14.072 37.802 21.102 1.00 0.00 N ATOM 1115 CE2 TRP A 68 12.990 37.057 21.528 1.00 0.00 C ATOM 1116 CE3 TRP A 68 11.318 35.681 20.448 1.00 0.00 C ATOM 1117 CZ2 TRP A 68 12.425 36.799 22.778 1.00 0.00 C ATOM 1118 CZ3 TRP A 68 10.747 35.418 21.704 1.00 0.00 C ATOM 1119 CH2 TRP A 68 11.300 35.977 22.867 1.00 0.00 C ATOM 0 H TRP A 68 14.359 34.992 19.165 1.00 0.00 H new ATOM 0 HA TRP A 68 11.915 34.844 17.687 1.00 0.00 H new ATOM 0 HB2 TRP A 68 13.923 37.040 17.197 1.00 0.00 H new ATOM 0 HB3 TRP A 68 12.185 37.153 17.384 1.00 0.00 H new ATOM 0 HD1 TRP A 68 14.999 38.240 19.161 1.00 0.00 H new ATOM 0 HE1 TRP A 68 14.682 38.332 21.724 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.884 35.247 19.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 12.855 37.232 23.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 9.877 34.782 21.776 1.00 0.00 H new ATOM 0 HH2 TRP A 68 10.856 35.771 23.830 1.00 0.00 H new ATOM 1130 N GLU A 69 13.341 35.724 15.221 1.00 0.00 N ATOM 1131 CA GLU A 69 13.820 35.441 13.842 1.00 0.00 C ATOM 1132 C GLU A 69 13.278 34.087 13.368 1.00 0.00 C ATOM 1133 O GLU A 69 12.165 33.711 13.674 1.00 0.00 O ATOM 1134 CB GLU A 69 15.346 35.405 13.864 1.00 0.00 C ATOM 1135 CG GLU A 69 15.878 36.698 14.488 1.00 0.00 C ATOM 1136 CD GLU A 69 16.569 37.538 13.412 1.00 0.00 C ATOM 1137 OE1 GLU A 69 17.429 37.001 12.732 1.00 0.00 O ATOM 1138 OE2 GLU A 69 16.228 38.703 13.286 1.00 0.00 O ATOM 0 H GLU A 69 12.953 36.656 15.367 1.00 0.00 H new ATOM 0 HA GLU A 69 13.470 36.215 13.159 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.692 34.544 14.435 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.732 35.292 12.851 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.059 37.262 14.935 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.580 36.466 15.289 1.00 0.00 H new ATOM 1145 N HIS A 70 14.064 33.352 12.623 1.00 0.00 N ATOM 1146 CA HIS A 70 13.606 32.025 12.125 1.00 0.00 C ATOM 1147 C HIS A 70 12.482 32.212 11.108 1.00 0.00 C ATOM 1148 O HIS A 70 11.788 33.211 11.102 1.00 0.00 O ATOM 1149 CB HIS A 70 13.093 31.180 13.292 1.00 0.00 C ATOM 1150 CG HIS A 70 13.864 29.889 13.370 1.00 0.00 C ATOM 1151 ND1 HIS A 70 15.153 29.750 12.870 1.00 0.00 N ATOM 1152 CD2 HIS A 70 13.530 28.661 13.883 1.00 0.00 C ATOM 1153 CE1 HIS A 70 15.538 28.477 13.087 1.00 0.00 C ATOM 1154 NE2 HIS A 70 14.586 27.772 13.703 1.00 0.00 N ATOM 0 H HIS A 70 15.007 33.617 12.338 1.00 0.00 H new ATOM 0 HA HIS A 70 14.446 31.518 11.650 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.198 31.733 14.226 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.031 30.972 13.162 1.00 0.00 H new ATOM 0 HD1 HIS A 70 15.707 30.479 12.420 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.589 28.420 14.355 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.498 28.076 12.798 1.00 0.00 H new ATOM 1162 N GLY A 71 12.295 31.248 10.250 1.00 0.00 N ATOM 1163 CA GLY A 71 11.217 31.350 9.230 1.00 0.00 C ATOM 1164 C GLY A 71 10.398 30.060 9.239 1.00 0.00 C ATOM 1165 O GLY A 71 9.772 29.704 8.261 1.00 0.00 O ATOM 0 H GLY A 71 12.846 30.390 10.212 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.575 32.205 9.445 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.648 31.515 8.242 1.00 0.00 H new ATOM 1169 N ASP A 72 10.406 29.354 10.337 1.00 0.00 N ATOM 1170 CA ASP A 72 9.641 28.092 10.422 1.00 0.00 C ATOM 1171 C ASP A 72 8.148 28.409 10.341 1.00 0.00 C ATOM 1172 O ASP A 72 7.444 28.383 11.331 1.00 0.00 O ATOM 1173 CB ASP A 72 9.952 27.391 11.747 1.00 0.00 C ATOM 1174 CG ASP A 72 10.833 26.168 11.483 1.00 0.00 C ATOM 1175 OD1 ASP A 72 10.361 25.252 10.830 1.00 0.00 O ATOM 1176 OD2 ASP A 72 11.965 26.169 11.941 1.00 0.00 O ATOM 0 H ASP A 72 10.917 29.606 11.183 1.00 0.00 H new ATOM 0 HA ASP A 72 9.920 27.434 9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.459 28.078 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.026 27.087 12.236 1.00 0.00 H new ATOM 1181 N GLY A 73 7.662 28.728 9.173 1.00 0.00 N ATOM 1182 CA GLY A 73 6.220 29.069 9.040 1.00 0.00 C ATOM 1183 C GLY A 73 5.940 30.331 9.858 1.00 0.00 C ATOM 1184 O GLY A 73 6.015 31.435 9.363 1.00 0.00 O ATOM 0 H GLY A 73 8.201 28.767 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.965 29.232 7.993 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.602 28.244 9.394 1.00 0.00 H new ATOM 1188 N TYR A 74 5.639 30.172 11.118 1.00 0.00 N ATOM 1189 CA TYR A 74 5.374 31.357 11.989 1.00 0.00 C ATOM 1190 C TYR A 74 6.548 31.523 12.966 1.00 0.00 C ATOM 1191 O TYR A 74 6.798 30.645 13.763 1.00 0.00 O ATOM 1192 CB TYR A 74 4.088 31.125 12.797 1.00 0.00 C ATOM 1193 CG TYR A 74 3.018 30.505 11.922 1.00 0.00 C ATOM 1194 CD1 TYR A 74 3.075 29.145 11.586 1.00 0.00 C ATOM 1195 CD2 TYR A 74 1.960 31.294 11.454 1.00 0.00 C ATOM 1196 CE1 TYR A 74 2.076 28.580 10.781 1.00 0.00 C ATOM 1197 CE2 TYR A 74 0.964 30.728 10.651 1.00 0.00 C ATOM 1198 CZ TYR A 74 1.021 29.373 10.315 1.00 0.00 C ATOM 1199 OH TYR A 74 0.037 28.818 9.522 1.00 0.00 O ATOM 0 H TYR A 74 5.564 29.269 11.586 1.00 0.00 H new ATOM 0 HA TYR A 74 5.263 32.248 11.372 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.297 30.472 13.645 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.731 32.071 13.204 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.888 28.533 11.947 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.913 32.341 11.713 1.00 0.00 H new ATOM 0 HE1 TYR A 74 2.120 27.533 10.520 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.150 31.339 10.290 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.620 29.506 9.287 1.00 0.00 H new ATOM 1209 N PRO A 75 7.245 32.636 12.887 1.00 0.00 N ATOM 1210 CA PRO A 75 8.392 32.896 13.776 1.00 0.00 C ATOM 1211 C PRO A 75 7.895 33.268 15.171 1.00 0.00 C ATOM 1212 O PRO A 75 6.771 33.688 15.350 1.00 0.00 O ATOM 1213 CB PRO A 75 9.117 34.073 13.120 1.00 0.00 C ATOM 1214 CG PRO A 75 8.072 34.775 12.221 1.00 0.00 C ATOM 1215 CD PRO A 75 6.966 33.732 11.935 1.00 0.00 C ATOM 0 HA PRO A 75 9.043 32.031 13.898 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.507 34.759 13.872 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.967 33.728 12.532 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.659 35.652 12.719 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.528 35.121 11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.973 34.152 12.092 1.00 0.00 H new ATOM 0 HD3 PRO A 75 7.005 33.383 10.903 1.00 0.00 H new ATOM 1223 N PHE A 76 8.723 33.109 16.160 1.00 0.00 N ATOM 1224 CA PHE A 76 8.296 33.444 17.544 1.00 0.00 C ATOM 1225 C PHE A 76 7.134 32.541 17.951 1.00 0.00 C ATOM 1226 O PHE A 76 7.328 31.499 18.544 1.00 0.00 O ATOM 1227 CB PHE A 76 7.844 34.905 17.618 1.00 0.00 C ATOM 1228 CG PHE A 76 7.302 35.176 18.999 1.00 0.00 C ATOM 1229 CD1 PHE A 76 8.030 34.758 20.116 1.00 0.00 C ATOM 1230 CD2 PHE A 76 6.076 35.834 19.169 1.00 0.00 C ATOM 1231 CE1 PHE A 76 7.538 34.991 21.404 1.00 0.00 C ATOM 1232 CE2 PHE A 76 5.583 36.070 20.461 1.00 0.00 C ATOM 1233 CZ PHE A 76 6.315 35.647 21.576 1.00 0.00 C ATOM 0 H PHE A 76 9.678 32.761 16.071 1.00 0.00 H new ATOM 0 HA PHE A 76 9.139 33.293 18.219 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.680 35.570 17.403 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.079 35.102 16.867 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.976 34.253 19.984 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.512 36.159 18.307 1.00 0.00 H new ATOM 0 HE1 PHE A 76 8.102 34.665 22.265 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.639 36.578 20.595 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.935 35.827 22.571 1.00 0.00 H new ATOM 1243 N ASP A 77 5.928 32.938 17.647 1.00 0.00 N ATOM 1244 CA ASP A 77 4.747 32.111 18.022 1.00 0.00 C ATOM 1245 C ASP A 77 4.405 32.376 19.499 1.00 0.00 C ATOM 1246 O ASP A 77 3.261 32.596 19.847 1.00 0.00 O ATOM 1247 CB ASP A 77 5.056 30.619 17.754 1.00 0.00 C ATOM 1248 CG ASP A 77 5.388 29.871 19.050 1.00 0.00 C ATOM 1249 OD1 ASP A 77 4.517 29.768 19.895 1.00 0.00 O ATOM 1250 OD2 ASP A 77 6.506 29.402 19.168 1.00 0.00 O ATOM 0 H ASP A 77 5.710 33.803 17.153 1.00 0.00 H new ATOM 0 HA ASP A 77 3.879 32.378 17.419 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.198 30.150 17.272 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.894 30.539 17.062 1.00 0.00 H new ATOM 1255 N GLY A 78 5.391 32.376 20.362 1.00 0.00 N ATOM 1256 CA GLY A 78 5.130 32.649 21.806 1.00 0.00 C ATOM 1257 C GLY A 78 4.915 31.338 22.558 1.00 0.00 C ATOM 1258 O GLY A 78 5.341 30.288 22.129 1.00 0.00 O ATOM 0 H GLY A 78 6.367 32.198 20.126 1.00 0.00 H new ATOM 0 HA2 GLY A 78 5.970 33.192 22.239 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.251 33.285 21.911 1.00 0.00 H new ATOM 1262 N LYS A 79 4.252 31.391 23.682 1.00 0.00 N ATOM 1263 CA LYS A 79 4.005 30.143 24.454 1.00 0.00 C ATOM 1264 C LYS A 79 3.261 29.145 23.557 1.00 0.00 C ATOM 1265 O LYS A 79 2.725 29.498 22.526 1.00 0.00 O ATOM 1266 CB LYS A 79 3.148 30.465 25.685 1.00 0.00 C ATOM 1267 CG LYS A 79 1.749 30.864 25.223 1.00 0.00 C ATOM 1268 CD LYS A 79 1.221 32.025 26.078 1.00 0.00 C ATOM 1269 CE LYS A 79 0.369 31.484 27.232 1.00 0.00 C ATOM 1270 NZ LYS A 79 -0.432 32.599 27.821 1.00 0.00 N ATOM 0 H LYS A 79 3.873 32.242 24.096 1.00 0.00 H new ATOM 0 HA LYS A 79 4.952 29.713 24.779 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.094 29.598 26.344 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.601 31.274 26.258 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.774 31.157 24.174 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.075 30.010 25.299 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.055 32.605 26.472 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.627 32.700 25.462 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.293 30.696 26.872 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.009 31.039 27.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.011 32.234 28.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.209 33.336 28.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.052 33.004 27.091 1.00 0.00 H new ATOM 1284 N ASP A 80 3.213 27.908 23.952 1.00 0.00 N ATOM 1285 CA ASP A 80 2.492 26.879 23.143 1.00 0.00 C ATOM 1286 C ASP A 80 2.807 27.030 21.647 1.00 0.00 C ATOM 1287 O ASP A 80 3.740 27.709 21.257 1.00 0.00 O ATOM 1288 CB ASP A 80 0.993 27.052 23.364 1.00 0.00 C ATOM 1289 CG ASP A 80 0.709 27.107 24.866 1.00 0.00 C ATOM 1290 OD1 ASP A 80 1.661 27.077 25.630 1.00 0.00 O ATOM 1291 OD2 ASP A 80 -0.455 27.180 25.228 1.00 0.00 O ATOM 0 H ASP A 80 3.644 27.557 24.807 1.00 0.00 H new ATOM 0 HA ASP A 80 2.817 25.888 23.460 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.645 27.966 22.882 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.448 26.225 22.909 1.00 0.00 H new ATOM 1296 N GLY A 81 2.029 26.384 20.809 1.00 0.00 N ATOM 1297 CA GLY A 81 2.262 26.462 19.333 1.00 0.00 C ATOM 1298 C GLY A 81 3.645 25.905 18.999 1.00 0.00 C ATOM 1299 O GLY A 81 4.099 24.948 19.594 1.00 0.00 O ATOM 0 H GLY A 81 1.238 25.803 21.088 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.495 25.897 18.804 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.185 27.496 18.997 1.00 0.00 H new ATOM 1303 N LEU A 82 4.317 26.507 18.056 1.00 0.00 N ATOM 1304 CA LEU A 82 5.682 26.033 17.679 1.00 0.00 C ATOM 1305 C LEU A 82 6.452 25.647 18.944 1.00 0.00 C ATOM 1306 O LEU A 82 6.868 26.495 19.707 1.00 0.00 O ATOM 1307 CB LEU A 82 6.419 27.164 16.957 1.00 0.00 C ATOM 1308 CG LEU A 82 7.892 26.788 16.776 1.00 0.00 C ATOM 1309 CD1 LEU A 82 8.298 26.980 15.312 1.00 0.00 C ATOM 1310 CD2 LEU A 82 8.752 27.690 17.663 1.00 0.00 C ATOM 0 H LEU A 82 3.979 27.311 17.527 1.00 0.00 H new ATOM 0 HA LEU A 82 5.606 25.165 17.024 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.959 27.349 15.986 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.337 28.088 17.530 1.00 0.00 H new ATOM 0 HG LEU A 82 8.038 25.745 17.056 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.347 26.711 15.187 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.682 26.343 14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.154 28.023 15.028 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.803 27.427 17.539 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.602 28.731 17.377 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.465 27.555 18.706 1.00 0.00 H new ATOM 1322 N LEU A 83 6.642 24.374 19.179 1.00 0.00 N ATOM 1323 CA LEU A 83 7.384 23.951 20.401 1.00 0.00 C ATOM 1324 C LEU A 83 8.728 23.354 20.002 1.00 0.00 C ATOM 1325 O LEU A 83 9.678 23.373 20.756 1.00 0.00 O ATOM 1326 CB LEU A 83 6.584 22.893 21.156 1.00 0.00 C ATOM 1327 CG LEU A 83 5.389 23.551 21.838 1.00 0.00 C ATOM 1328 CD1 LEU A 83 4.136 22.712 21.596 1.00 0.00 C ATOM 1329 CD2 LEU A 83 5.660 23.646 23.341 1.00 0.00 C ATOM 0 H LEU A 83 6.317 23.614 18.581 1.00 0.00 H new ATOM 0 HA LEU A 83 7.536 24.822 21.039 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.243 22.119 20.468 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.216 22.404 21.897 1.00 0.00 H new ATOM 0 HG LEU A 83 5.237 24.550 21.429 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.283 23.183 22.084 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.947 22.640 20.525 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.282 21.713 22.006 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.809 24.116 23.835 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.809 22.646 23.748 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.555 24.244 23.512 1.00 0.00 H new ATOM 1341 N ALA A 84 8.810 22.814 18.822 1.00 0.00 N ATOM 1342 CA ALA A 84 10.087 22.203 18.377 1.00 0.00 C ATOM 1343 C ALA A 84 9.830 21.327 17.146 1.00 0.00 C ATOM 1344 O ALA A 84 8.747 20.812 16.949 1.00 0.00 O ATOM 1345 CB ALA A 84 10.651 21.335 19.508 1.00 0.00 C ATOM 0 H ALA A 84 8.047 22.770 18.146 1.00 0.00 H new ATOM 0 HA ALA A 84 10.800 22.987 18.124 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.590 20.883 19.187 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.829 21.954 20.388 1.00 0.00 H new ATOM 0 HB3 ALA A 84 9.936 20.550 19.755 1.00 0.00 H new ATOM 1351 N HIS A 85 10.823 21.159 16.318 1.00 0.00 N ATOM 1352 CA HIS A 85 10.658 20.316 15.101 1.00 0.00 C ATOM 1353 C HIS A 85 12.015 19.729 14.716 1.00 0.00 C ATOM 1354 O HIS A 85 13.026 20.026 15.322 1.00 0.00 O ATOM 1355 CB HIS A 85 10.146 21.175 13.944 1.00 0.00 C ATOM 1356 CG HIS A 85 11.197 22.187 13.589 1.00 0.00 C ATOM 1357 ND1 HIS A 85 12.251 21.893 12.735 1.00 0.00 N ATOM 1358 CD2 HIS A 85 11.379 23.493 13.974 1.00 0.00 C ATOM 1359 CE1 HIS A 85 13.016 22.999 12.639 1.00 0.00 C ATOM 1360 NE2 HIS A 85 12.526 24.001 13.375 1.00 0.00 N ATOM 0 H HIS A 85 11.748 21.572 16.433 1.00 0.00 H new ATOM 0 HA HIS A 85 9.945 19.518 15.307 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.919 20.549 13.081 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.220 21.676 14.227 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.730 24.042 14.640 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.913 23.067 12.042 1.00 0.00 H new ATOM 0 HE2 HIS A 85 12.912 24.940 13.476 1.00 0.00 H new ATOM 1368 N ALA A 86 12.052 18.914 13.704 1.00 0.00 N ATOM 1369 CA ALA A 86 13.350 18.327 13.269 1.00 0.00 C ATOM 1370 C ALA A 86 13.389 18.297 11.741 1.00 0.00 C ATOM 1371 O ALA A 86 12.365 18.294 11.086 1.00 0.00 O ATOM 1372 CB ALA A 86 13.488 16.901 13.813 1.00 0.00 C ATOM 0 H ALA A 86 11.240 18.627 13.157 1.00 0.00 H new ATOM 0 HA ALA A 86 14.172 18.932 13.652 1.00 0.00 H new ATOM 0 HB1 ALA A 86 14.440 16.479 13.490 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.451 16.922 14.902 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.672 16.286 13.434 1.00 0.00 H new ATOM 1378 N PHE A 87 14.562 18.283 11.167 1.00 0.00 N ATOM 1379 CA PHE A 87 14.669 18.261 9.682 1.00 0.00 C ATOM 1380 C PHE A 87 14.888 16.830 9.193 1.00 0.00 C ATOM 1381 O PHE A 87 15.394 15.991 9.909 1.00 0.00 O ATOM 1382 CB PHE A 87 15.869 19.101 9.256 1.00 0.00 C ATOM 1383 CG PHE A 87 15.433 20.167 8.285 1.00 0.00 C ATOM 1384 CD1 PHE A 87 14.679 21.252 8.735 1.00 0.00 C ATOM 1385 CD2 PHE A 87 15.787 20.069 6.934 1.00 0.00 C ATOM 1386 CE1 PHE A 87 14.277 22.243 7.833 1.00 0.00 C ATOM 1387 CE2 PHE A 87 15.387 21.059 6.031 1.00 0.00 C ATOM 1388 CZ PHE A 87 14.632 22.146 6.480 1.00 0.00 C ATOM 0 H PHE A 87 15.452 18.286 11.665 1.00 0.00 H new ATOM 0 HA PHE A 87 13.748 18.659 9.255 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.330 19.560 10.130 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.624 18.464 8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 87 14.406 21.326 9.777 1.00 0.00 H new ATOM 0 HD2 PHE A 87 16.370 19.228 6.589 1.00 0.00 H new ATOM 0 HE1 PHE A 87 13.693 23.083 8.179 1.00 0.00 H new ATOM 0 HE2 PHE A 87 15.661 20.984 4.989 1.00 0.00 H new ATOM 0 HZ PHE A 87 14.322 22.912 5.784 1.00 0.00 H new ATOM 1398 N ALA A 88 14.536 16.556 7.964 1.00 0.00 N ATOM 1399 CA ALA A 88 14.747 15.188 7.418 1.00 0.00 C ATOM 1400 C ALA A 88 16.248 14.981 7.182 1.00 0.00 C ATOM 1401 O ALA A 88 16.997 15.934 7.121 1.00 0.00 O ATOM 1402 CB ALA A 88 14.000 15.039 6.091 1.00 0.00 C ATOM 0 H ALA A 88 14.112 17.221 7.317 1.00 0.00 H new ATOM 0 HA ALA A 88 14.371 14.447 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.158 14.036 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.934 15.202 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.375 15.773 5.378 1.00 0.00 H new ATOM 1408 N PRO A 89 16.640 13.739 7.047 1.00 0.00 N ATOM 1409 CA PRO A 89 18.049 13.366 6.809 1.00 0.00 C ATOM 1410 C PRO A 89 18.471 13.694 5.377 1.00 0.00 C ATOM 1411 O PRO A 89 17.751 13.441 4.431 1.00 0.00 O ATOM 1412 CB PRO A 89 18.072 11.858 7.046 1.00 0.00 C ATOM 1413 CG PRO A 89 16.618 11.366 6.876 1.00 0.00 C ATOM 1414 CD PRO A 89 15.712 12.591 7.108 1.00 0.00 C ATOM 0 HA PRO A 89 18.739 13.908 7.455 1.00 0.00 H new ATOM 0 HB2 PRO A 89 18.735 11.364 6.336 1.00 0.00 H new ATOM 0 HB3 PRO A 89 18.446 11.628 8.044 1.00 0.00 H new ATOM 0 HG2 PRO A 89 16.463 10.952 5.880 1.00 0.00 H new ATOM 0 HG3 PRO A 89 16.390 10.574 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 89 14.936 12.664 6.346 1.00 0.00 H new ATOM 0 HD3 PRO A 89 15.207 12.537 8.072 1.00 0.00 H new ATOM 1422 N GLY A 90 19.642 14.247 5.213 1.00 0.00 N ATOM 1423 CA GLY A 90 20.125 14.588 3.846 1.00 0.00 C ATOM 1424 C GLY A 90 21.600 15.003 3.904 1.00 0.00 C ATOM 1425 O GLY A 90 22.281 14.781 4.885 1.00 0.00 O ATOM 0 H GLY A 90 20.286 14.478 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.005 13.731 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.526 15.398 3.430 1.00 0.00 H new ATOM 1429 N THR A 91 22.097 15.601 2.851 1.00 0.00 N ATOM 1430 CA THR A 91 23.531 16.030 2.826 1.00 0.00 C ATOM 1431 C THR A 91 23.681 17.423 3.446 1.00 0.00 C ATOM 1432 O THR A 91 23.147 18.391 2.946 1.00 0.00 O ATOM 1433 CB THR A 91 24.018 16.091 1.375 1.00 0.00 C ATOM 1434 OG1 THR A 91 23.401 15.058 0.621 1.00 0.00 O ATOM 1435 CG2 THR A 91 25.539 15.925 1.328 1.00 0.00 C ATOM 0 H THR A 91 21.570 15.812 2.003 1.00 0.00 H new ATOM 0 HA THR A 91 24.119 15.311 3.397 1.00 0.00 H new ATOM 0 HB THR A 91 23.752 17.058 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 91 23.712 15.100 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 91 25.878 15.969 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 91 26.010 16.725 1.899 1.00 0.00 H new ATOM 0 HG23 THR A 91 25.813 14.962 1.759 1.00 0.00 H new ATOM 1443 N GLY A 92 24.417 17.540 4.520 1.00 0.00 N ATOM 1444 CA GLY A 92 24.602 18.881 5.149 1.00 0.00 C ATOM 1445 C GLY A 92 23.324 19.282 5.888 1.00 0.00 C ATOM 1446 O GLY A 92 23.156 18.989 7.055 1.00 0.00 O ATOM 0 H GLY A 92 24.896 16.770 4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 92 25.442 18.856 5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 92 24.841 19.622 4.386 1.00 0.00 H new ATOM 1450 N VAL A 93 22.417 19.943 5.222 1.00 0.00 N ATOM 1451 CA VAL A 93 21.153 20.351 5.892 1.00 0.00 C ATOM 1452 C VAL A 93 20.291 19.110 6.131 1.00 0.00 C ATOM 1453 O VAL A 93 19.907 18.426 5.206 1.00 0.00 O ATOM 1454 CB VAL A 93 20.398 21.332 4.994 1.00 0.00 C ATOM 1455 CG1 VAL A 93 21.266 22.564 4.732 1.00 0.00 C ATOM 1456 CG2 VAL A 93 20.061 20.650 3.665 1.00 0.00 C ATOM 0 H VAL A 93 22.498 20.217 4.243 1.00 0.00 H new ATOM 0 HA VAL A 93 21.377 20.831 6.845 1.00 0.00 H new ATOM 0 HB VAL A 93 19.477 21.640 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.725 23.261 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 93 21.503 23.050 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.189 22.260 4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 93 19.523 21.348 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 93 20.982 20.340 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 93 19.438 19.775 3.853 1.00 0.00 H new ATOM 1466 N GLY A 94 19.991 18.812 7.365 1.00 0.00 N ATOM 1467 CA GLY A 94 19.159 17.608 7.665 1.00 0.00 C ATOM 1468 C GLY A 94 19.572 17.028 9.018 1.00 0.00 C ATOM 1469 O GLY A 94 20.653 17.276 9.501 1.00 0.00 O ATOM 0 H GLY A 94 20.285 19.349 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.103 17.877 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 94 19.287 16.860 6.882 1.00 0.00 H new ATOM 1473 N GLY A 95 18.719 16.265 9.646 1.00 0.00 N ATOM 1474 CA GLY A 95 19.082 15.695 10.974 1.00 0.00 C ATOM 1475 C GLY A 95 19.186 16.830 12.002 1.00 0.00 C ATOM 1476 O GLY A 95 19.597 16.628 13.129 1.00 0.00 O ATOM 0 H GLY A 95 17.793 16.013 9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 95 18.331 14.971 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 95 20.030 15.162 10.907 1.00 0.00 H new ATOM 1480 N ASP A 96 18.821 18.028 11.618 1.00 0.00 N ATOM 1481 CA ASP A 96 18.894 19.181 12.560 1.00 0.00 C ATOM 1482 C ASP A 96 17.511 19.437 13.179 1.00 0.00 C ATOM 1483 O ASP A 96 16.496 19.334 12.518 1.00 0.00 O ATOM 1484 CB ASP A 96 19.361 20.419 11.794 1.00 0.00 C ATOM 1485 CG ASP A 96 20.429 20.019 10.768 1.00 0.00 C ATOM 1486 OD1 ASP A 96 21.408 19.414 11.172 1.00 0.00 O ATOM 1487 OD2 ASP A 96 20.247 20.318 9.598 1.00 0.00 O ATOM 0 H ASP A 96 18.474 18.255 10.686 1.00 0.00 H new ATOM 0 HA ASP A 96 19.600 18.959 13.361 1.00 0.00 H new ATOM 0 HB2 ASP A 96 18.516 20.887 11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 96 19.767 21.156 12.487 1.00 0.00 H new ATOM 1492 N SER A 97 17.462 19.766 14.448 1.00 0.00 N ATOM 1493 CA SER A 97 16.146 20.023 15.113 1.00 0.00 C ATOM 1494 C SER A 97 16.276 21.209 16.082 1.00 0.00 C ATOM 1495 O SER A 97 17.186 21.269 16.890 1.00 0.00 O ATOM 1496 CB SER A 97 15.736 18.779 15.898 1.00 0.00 C ATOM 1497 OG SER A 97 16.907 18.105 16.340 1.00 0.00 O ATOM 0 H SER A 97 18.278 19.868 15.052 1.00 0.00 H new ATOM 0 HA SER A 97 15.395 20.255 14.357 1.00 0.00 H new ATOM 0 HB2 SER A 97 15.118 19.059 16.751 1.00 0.00 H new ATOM 0 HB3 SER A 97 15.135 18.119 15.272 1.00 0.00 H new ATOM 0 HG SER A 97 16.653 17.306 16.847 1.00 0.00 H new ATOM 1503 N HIS A 98 15.373 22.156 16.010 1.00 0.00 N ATOM 1504 CA HIS A 98 15.454 23.330 16.927 1.00 0.00 C ATOM 1505 C HIS A 98 14.366 23.211 18.000 1.00 0.00 C ATOM 1506 O HIS A 98 13.230 22.878 17.715 1.00 0.00 O ATOM 1507 CB HIS A 98 15.248 24.632 16.137 1.00 0.00 C ATOM 1508 CG HIS A 98 15.925 24.550 14.790 1.00 0.00 C ATOM 1509 ND1 HIS A 98 15.694 25.487 13.793 1.00 0.00 N ATOM 1510 CD2 HIS A 98 16.819 23.655 14.254 1.00 0.00 C ATOM 1511 CE1 HIS A 98 16.433 25.135 12.723 1.00 0.00 C ATOM 1512 NE2 HIS A 98 17.136 24.026 12.952 1.00 0.00 N ATOM 0 H HIS A 98 14.588 22.165 15.359 1.00 0.00 H new ATOM 0 HA HIS A 98 16.438 23.349 17.396 1.00 0.00 H new ATOM 0 HB2 HIS A 98 14.182 24.818 16.004 1.00 0.00 H new ATOM 0 HB3 HIS A 98 15.650 25.473 16.701 1.00 0.00 H new ATOM 0 HD1 HIS A 98 15.076 26.296 13.858 1.00 0.00 H new ATOM 0 HD2 HIS A 98 17.216 22.792 14.767 1.00 0.00 H new ATOM 0 HE1 HIS A 98 16.453 25.684 11.793 1.00 0.00 H new ATOM 1520 N PHE A 99 14.711 23.469 19.237 1.00 0.00 N ATOM 1521 CA PHE A 99 13.702 23.358 20.335 1.00 0.00 C ATOM 1522 C PHE A 99 13.102 24.727 20.649 1.00 0.00 C ATOM 1523 O PHE A 99 13.677 25.758 20.358 1.00 0.00 O ATOM 1524 CB PHE A 99 14.380 22.820 21.597 1.00 0.00 C ATOM 1525 CG PHE A 99 14.649 21.347 21.433 1.00 0.00 C ATOM 1526 CD1 PHE A 99 13.600 20.429 21.549 1.00 0.00 C ATOM 1527 CD2 PHE A 99 15.947 20.897 21.163 1.00 0.00 C ATOM 1528 CE1 PHE A 99 13.849 19.062 21.392 1.00 0.00 C ATOM 1529 CE2 PHE A 99 16.196 19.530 21.008 1.00 0.00 C ATOM 1530 CZ PHE A 99 15.149 18.613 21.122 1.00 0.00 C ATOM 0 H PHE A 99 15.645 23.751 19.533 1.00 0.00 H new ATOM 0 HA PHE A 99 12.910 22.682 20.012 1.00 0.00 H new ATOM 0 HB2 PHE A 99 15.313 23.353 21.777 1.00 0.00 H new ATOM 0 HB3 PHE A 99 13.743 22.990 22.465 1.00 0.00 H new ATOM 0 HD1 PHE A 99 12.599 20.776 21.760 1.00 0.00 H new ATOM 0 HD2 PHE A 99 16.757 21.606 21.074 1.00 0.00 H new ATOM 0 HE1 PHE A 99 13.040 18.352 21.479 1.00 0.00 H new ATOM 0 HE2 PHE A 99 17.198 19.183 20.800 1.00 0.00 H new ATOM 0 HZ PHE A 99 15.341 17.557 21.002 1.00 0.00 H new ATOM 1540 N ASP A 100 11.946 24.734 21.253 1.00 0.00 N ATOM 1541 CA ASP A 100 11.284 26.019 21.611 1.00 0.00 C ATOM 1542 C ASP A 100 12.229 26.865 22.461 1.00 0.00 C ATOM 1543 O ASP A 100 12.776 26.407 23.447 1.00 0.00 O ATOM 1544 CB ASP A 100 10.028 25.723 22.424 1.00 0.00 C ATOM 1545 CG ASP A 100 8.843 26.500 21.850 1.00 0.00 C ATOM 1546 OD1 ASP A 100 9.011 27.144 20.830 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.778 26.427 22.439 1.00 0.00 O ATOM 0 H ASP A 100 11.427 23.896 21.516 1.00 0.00 H new ATOM 0 HA ASP A 100 11.027 26.559 20.700 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.816 24.654 22.406 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.185 26.000 23.467 1.00 0.00 H new ATOM 1552 N ASP A 101 12.420 28.099 22.096 1.00 0.00 N ATOM 1553 CA ASP A 101 13.323 28.971 22.894 1.00 0.00 C ATOM 1554 C ASP A 101 12.497 29.760 23.912 1.00 0.00 C ATOM 1555 O ASP A 101 12.574 29.523 25.102 1.00 0.00 O ATOM 1556 CB ASP A 101 14.060 29.942 21.967 1.00 0.00 C ATOM 1557 CG ASP A 101 15.240 30.556 22.714 1.00 0.00 C ATOM 1558 OD1 ASP A 101 15.032 31.544 23.396 1.00 0.00 O ATOM 1559 OD2 ASP A 101 16.328 30.022 22.597 1.00 0.00 O ATOM 0 H ASP A 101 11.992 28.541 21.283 1.00 0.00 H new ATOM 0 HA ASP A 101 14.053 28.353 23.417 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.411 29.418 21.078 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.382 30.725 21.629 1.00 0.00 H new ATOM 1564 N ASP A 102 11.712 30.703 23.457 1.00 0.00 N ATOM 1565 CA ASP A 102 10.887 31.518 24.398 1.00 0.00 C ATOM 1566 C ASP A 102 9.917 30.624 25.177 1.00 0.00 C ATOM 1567 O ASP A 102 8.777 30.447 24.799 1.00 0.00 O ATOM 1568 CB ASP A 102 10.087 32.563 23.615 1.00 0.00 C ATOM 1569 CG ASP A 102 9.268 31.876 22.518 1.00 0.00 C ATOM 1570 OD1 ASP A 102 9.643 30.784 22.122 1.00 0.00 O ATOM 1571 OD2 ASP A 102 8.283 32.457 22.091 1.00 0.00 O ATOM 0 H ASP A 102 11.607 30.944 22.471 1.00 0.00 H new ATOM 0 HA ASP A 102 11.557 32.014 25.101 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.425 33.107 24.289 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.763 33.295 23.172 1.00 0.00 H new ATOM 1576 N GLU A 103 10.362 30.078 26.271 1.00 0.00 N ATOM 1577 CA GLU A 103 9.474 29.212 27.094 1.00 0.00 C ATOM 1578 C GLU A 103 10.258 28.726 28.315 1.00 0.00 C ATOM 1579 O GLU A 103 11.419 29.038 28.474 1.00 0.00 O ATOM 1580 CB GLU A 103 9.017 28.011 26.269 1.00 0.00 C ATOM 1581 CG GLU A 103 7.557 28.201 25.859 1.00 0.00 C ATOM 1582 CD GLU A 103 7.440 28.092 24.337 1.00 0.00 C ATOM 1583 OE1 GLU A 103 8.394 28.444 23.661 1.00 0.00 O ATOM 1584 OE2 GLU A 103 6.399 27.657 23.873 1.00 0.00 O ATOM 0 H GLU A 103 11.308 30.194 26.634 1.00 0.00 H new ATOM 0 HA GLU A 103 8.598 29.777 27.413 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.644 27.905 25.384 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.127 27.095 26.849 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.932 27.447 26.338 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.197 29.174 26.194 1.00 0.00 H new ATOM 1591 N LEU A 104 9.646 27.962 29.176 1.00 0.00 N ATOM 1592 CA LEU A 104 10.390 27.467 30.366 1.00 0.00 C ATOM 1593 C LEU A 104 10.425 25.939 30.343 1.00 0.00 C ATOM 1594 O LEU A 104 9.469 25.280 30.696 1.00 0.00 O ATOM 1595 CB LEU A 104 9.707 27.938 31.647 1.00 0.00 C ATOM 1596 CG LEU A 104 10.416 27.320 32.851 1.00 0.00 C ATOM 1597 CD1 LEU A 104 11.872 27.798 32.901 1.00 0.00 C ATOM 1598 CD2 LEU A 104 9.699 27.747 34.133 1.00 0.00 C ATOM 0 H LEU A 104 8.674 27.662 29.109 1.00 0.00 H new ATOM 0 HA LEU A 104 11.406 27.861 30.339 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.738 29.026 31.711 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.656 27.648 31.641 1.00 0.00 H new ATOM 0 HG LEU A 104 10.398 26.234 32.761 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.372 27.354 33.762 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.385 27.497 31.988 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.896 28.884 32.989 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.202 27.308 34.995 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.719 28.834 34.216 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.665 27.404 34.103 1.00 0.00 H new ATOM 1610 N TRP A 105 11.519 25.372 29.926 1.00 0.00 N ATOM 1611 CA TRP A 105 11.617 23.885 29.883 1.00 0.00 C ATOM 1612 C TRP A 105 12.637 23.417 30.921 1.00 0.00 C ATOM 1613 O TRP A 105 13.310 24.215 31.541 1.00 0.00 O ATOM 1614 CB TRP A 105 12.080 23.450 28.496 1.00 0.00 C ATOM 1615 CG TRP A 105 10.916 23.407 27.562 1.00 0.00 C ATOM 1616 CD1 TRP A 105 9.668 23.842 27.843 1.00 0.00 C ATOM 1617 CD2 TRP A 105 10.879 22.912 26.198 1.00 0.00 C ATOM 1618 NE1 TRP A 105 8.864 23.634 26.733 1.00 0.00 N ATOM 1619 CE2 TRP A 105 9.568 23.063 25.693 1.00 0.00 C ATOM 1620 CE3 TRP A 105 11.852 22.349 25.362 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 9.234 22.667 24.397 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 11.525 21.949 24.059 1.00 0.00 C ATOM 1623 CH2 TRP A 105 10.216 22.107 23.576 1.00 0.00 C ATOM 0 H TRP A 105 12.351 25.872 29.612 1.00 0.00 H new ATOM 0 HA TRP A 105 10.642 23.448 30.100 1.00 0.00 H new ATOM 0 HB2 TRP A 105 12.833 24.143 28.121 1.00 0.00 H new ATOM 0 HB3 TRP A 105 12.550 22.468 28.551 1.00 0.00 H new ATOM 0 HD1 TRP A 105 9.350 24.279 28.778 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.873 23.874 26.690 1.00 0.00 H new ATOM 0 HE3 TRP A 105 12.862 22.222 25.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 8.225 22.792 24.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 12.284 21.517 23.423 1.00 0.00 H new ATOM 0 HH2 TRP A 105 9.969 21.796 22.572 1.00 0.00 H new ATOM 1634 N THR A 106 12.770 22.133 31.114 1.00 0.00 N ATOM 1635 CA THR A 106 13.766 21.644 32.110 1.00 0.00 C ATOM 1636 C THR A 106 13.741 20.121 32.174 1.00 0.00 C ATOM 1637 O THR A 106 12.812 19.499 31.722 1.00 0.00 O ATOM 1638 CB THR A 106 13.463 22.229 33.499 1.00 0.00 C ATOM 1639 OG1 THR A 106 13.648 21.223 34.492 1.00 0.00 O ATOM 1640 CG2 THR A 106 12.025 22.751 33.560 1.00 0.00 C ATOM 0 H THR A 106 12.239 21.408 30.631 1.00 0.00 H new ATOM 0 HA THR A 106 14.758 21.971 31.798 1.00 0.00 H new ATOM 0 HB THR A 106 14.145 23.059 33.685 1.00 0.00 H new ATOM 0 HG1 THR A 106 12.775 20.920 34.818 1.00 0.00 H new ATOM 0 HG21 THR A 106 11.829 23.161 34.551 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.889 23.531 32.811 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.332 21.933 33.362 1.00 0.00 H new ATOM 1648 N ASN A 107 14.765 19.515 32.722 1.00 0.00 N ATOM 1649 CA ASN A 107 14.790 18.025 32.800 1.00 0.00 C ATOM 1650 C ASN A 107 14.497 17.575 34.230 1.00 0.00 C ATOM 1651 O ASN A 107 14.834 16.478 34.626 1.00 0.00 O ATOM 1652 CB ASN A 107 16.167 17.502 32.382 1.00 0.00 C ATOM 1653 CG ASN A 107 16.171 15.965 32.423 1.00 0.00 C ATOM 1654 OD1 ASN A 107 15.045 15.307 32.306 1.00 0.00 O flip ATOM 1655 ND2 ASN A 107 17.211 15.356 32.568 1.00 0.00 N flip ATOM 0 H ASN A 107 15.579 19.986 33.116 1.00 0.00 H new ATOM 0 HA ASN A 107 14.030 17.626 32.128 1.00 0.00 H new ATOM 0 HB2 ASN A 107 16.409 17.849 31.378 1.00 0.00 H new ATOM 0 HB3 ASN A 107 16.934 17.895 33.049 1.00 0.00 H new ATOM 0 HD21 ASN A 107 18.091 15.864 32.660 1.00 0.00 H new ATOM 0 HD22 ASN A 107 17.205 14.336 32.598 1.00 0.00 H new ATOM 1662 N THR A 108 13.871 18.404 35.013 1.00 0.00 N ATOM 1663 CA THR A 108 13.570 17.995 36.409 1.00 0.00 C ATOM 1664 C THR A 108 12.064 18.115 36.664 1.00 0.00 C ATOM 1665 O THR A 108 11.305 18.484 35.789 1.00 0.00 O ATOM 1666 CB THR A 108 14.362 18.871 37.386 1.00 0.00 C ATOM 1667 OG1 THR A 108 13.730 18.863 38.655 1.00 0.00 O ATOM 1668 CG2 THR A 108 14.437 20.299 36.855 1.00 0.00 C ATOM 0 H THR A 108 13.557 19.338 34.750 1.00 0.00 H new ATOM 0 HA THR A 108 13.866 16.957 36.561 1.00 0.00 H new ATOM 0 HB THR A 108 15.372 18.474 37.486 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.240 19.422 39.278 1.00 0.00 H new ATOM 0 HG21 THR A 108 15.001 20.918 37.553 1.00 0.00 H new ATOM 0 HG22 THR A 108 14.934 20.301 35.885 1.00 0.00 H new ATOM 0 HG23 THR A 108 13.429 20.700 36.747 1.00 0.00 H new ATOM 1676 N SER A 109 11.622 17.798 37.853 1.00 0.00 N ATOM 1677 CA SER A 109 10.165 17.885 38.155 1.00 0.00 C ATOM 1678 C SER A 109 9.727 19.345 38.118 1.00 0.00 C ATOM 1679 O SER A 109 9.397 19.932 39.129 1.00 0.00 O ATOM 1680 CB SER A 109 9.903 17.310 39.546 1.00 0.00 C ATOM 1681 OG SER A 109 8.511 17.068 39.700 1.00 0.00 O ATOM 0 H SER A 109 12.207 17.483 38.627 1.00 0.00 H new ATOM 0 HA SER A 109 9.602 17.318 37.413 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.462 16.384 39.680 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.250 18.005 40.311 1.00 0.00 H new ATOM 0 HG SER A 109 8.340 16.698 40.591 1.00 0.00 H new ATOM 1687 N ALA A 110 9.719 19.935 36.957 1.00 0.00 N ATOM 1688 CA ALA A 110 9.305 21.358 36.850 1.00 0.00 C ATOM 1689 C ALA A 110 8.916 21.658 35.404 1.00 0.00 C ATOM 1690 O ALA A 110 9.725 21.582 34.502 1.00 0.00 O ATOM 1691 CB ALA A 110 10.469 22.250 37.272 1.00 0.00 C ATOM 0 H ALA A 110 9.982 19.492 36.077 1.00 0.00 H new ATOM 0 HA ALA A 110 8.451 21.550 37.500 1.00 0.00 H new ATOM 0 HB1 ALA A 110 10.172 23.296 37.196 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.745 22.025 38.302 1.00 0.00 H new ATOM 0 HB3 ALA A 110 11.323 22.067 36.620 1.00 0.00 H new ATOM 1697 N ASN A 111 7.674 21.984 35.178 1.00 0.00 N ATOM 1698 CA ASN A 111 7.217 22.271 33.790 1.00 0.00 C ATOM 1699 C ASN A 111 7.327 20.994 32.956 1.00 0.00 C ATOM 1700 O ASN A 111 7.212 19.898 33.472 1.00 0.00 O ATOM 1701 CB ASN A 111 8.082 23.368 33.176 1.00 0.00 C ATOM 1702 CG ASN A 111 7.180 24.360 32.439 1.00 0.00 C ATOM 1703 OD1 ASN A 111 7.610 25.568 32.206 1.00 0.00 O flip ATOM 1704 ND2 ASN A 111 6.068 24.031 32.079 1.00 0.00 N flip ATOM 0 H ASN A 111 6.954 22.064 35.896 1.00 0.00 H new ATOM 0 HA ASN A 111 6.181 22.609 33.807 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.648 23.880 33.954 1.00 0.00 H new ATOM 0 HB3 ASN A 111 8.807 22.934 32.487 1.00 0.00 H new ATOM 0 HD21 ASN A 111 5.732 23.085 32.262 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.470 24.700 31.594 1.00 0.00 H new ATOM 1711 N TYR A 112 7.555 21.113 31.675 1.00 0.00 N ATOM 1712 CA TYR A 112 7.676 19.888 30.839 1.00 0.00 C ATOM 1713 C TYR A 112 8.955 19.152 31.243 1.00 0.00 C ATOM 1714 O TYR A 112 9.363 19.190 32.386 1.00 0.00 O ATOM 1715 CB TYR A 112 7.745 20.263 29.354 1.00 0.00 C ATOM 1716 CG TYR A 112 6.544 21.098 28.968 1.00 0.00 C ATOM 1717 CD1 TYR A 112 5.254 20.581 29.118 1.00 0.00 C ATOM 1718 CD2 TYR A 112 6.724 22.385 28.448 1.00 0.00 C ATOM 1719 CE1 TYR A 112 4.143 21.349 28.748 1.00 0.00 C ATOM 1720 CE2 TYR A 112 5.617 23.155 28.077 1.00 0.00 C ATOM 1721 CZ TYR A 112 4.326 22.636 28.227 1.00 0.00 C ATOM 1722 OH TYR A 112 3.233 23.394 27.863 1.00 0.00 O ATOM 0 H TYR A 112 7.661 21.997 31.177 1.00 0.00 H new ATOM 0 HA TYR A 112 6.806 19.250 30.994 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.662 20.818 29.154 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.780 19.360 28.745 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.114 19.588 29.520 1.00 0.00 H new ATOM 0 HD2 TYR A 112 7.721 22.785 28.333 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.146 20.949 28.864 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.758 24.148 27.676 1.00 0.00 H new ATOM 0 HH TYR A 112 3.535 24.261 27.522 1.00 0.00 H new ATOM 1732 N SER A 113 9.595 18.487 30.322 1.00 0.00 N ATOM 1733 CA SER A 113 10.848 17.762 30.674 1.00 0.00 C ATOM 1734 C SER A 113 11.792 17.740 29.462 1.00 0.00 C ATOM 1735 O SER A 113 11.642 16.934 28.565 1.00 0.00 O ATOM 1736 CB SER A 113 10.514 16.334 31.107 1.00 0.00 C ATOM 1737 OG SER A 113 11.689 15.713 31.612 1.00 0.00 O ATOM 0 H SER A 113 9.307 18.414 29.346 1.00 0.00 H new ATOM 0 HA SER A 113 11.343 18.275 31.499 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.737 16.345 31.871 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.123 15.767 30.262 1.00 0.00 H new ATOM 0 HG SER A 113 11.480 14.797 31.892 1.00 0.00 H new ATOM 1743 N LEU A 114 12.757 18.631 29.427 1.00 0.00 N ATOM 1744 CA LEU A 114 13.711 18.685 28.270 1.00 0.00 C ATOM 1745 C LEU A 114 14.019 17.280 27.736 1.00 0.00 C ATOM 1746 O LEU A 114 13.821 16.985 26.574 1.00 0.00 O ATOM 1747 CB LEU A 114 15.025 19.326 28.727 1.00 0.00 C ATOM 1748 CG LEU A 114 15.618 20.158 27.589 1.00 0.00 C ATOM 1749 CD1 LEU A 114 15.632 19.331 26.300 1.00 0.00 C ATOM 1750 CD2 LEU A 114 14.770 21.416 27.384 1.00 0.00 C ATOM 0 H LEU A 114 12.926 19.327 30.154 1.00 0.00 H new ATOM 0 HA LEU A 114 13.246 19.271 27.477 1.00 0.00 H new ATOM 0 HB2 LEU A 114 14.849 19.957 29.598 1.00 0.00 H new ATOM 0 HB3 LEU A 114 15.731 18.553 29.031 1.00 0.00 H new ATOM 0 HG LEU A 114 16.639 20.445 27.842 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.055 19.926 25.491 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.238 18.437 26.448 1.00 0.00 H new ATOM 0 HD13 LEU A 114 14.613 19.041 26.043 1.00 0.00 H new ATOM 0 HD21 LEU A 114 15.191 22.010 26.573 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.749 21.129 27.132 1.00 0.00 H new ATOM 0 HD23 LEU A 114 14.765 22.005 28.301 1.00 0.00 H new ATOM 1762 N PHE A 115 14.523 16.423 28.570 1.00 0.00 N ATOM 1763 CA PHE A 115 14.869 15.047 28.117 1.00 0.00 C ATOM 1764 C PHE A 115 13.685 14.437 27.360 1.00 0.00 C ATOM 1765 O PHE A 115 13.850 13.752 26.368 1.00 0.00 O ATOM 1766 CB PHE A 115 15.202 14.204 29.357 1.00 0.00 C ATOM 1767 CG PHE A 115 14.795 12.761 29.154 1.00 0.00 C ATOM 1768 CD1 PHE A 115 13.459 12.383 29.324 1.00 0.00 C ATOM 1769 CD2 PHE A 115 15.754 11.807 28.808 1.00 0.00 C ATOM 1770 CE1 PHE A 115 13.080 11.050 29.147 1.00 0.00 C ATOM 1771 CE2 PHE A 115 15.376 10.470 28.635 1.00 0.00 C ATOM 1772 CZ PHE A 115 14.039 10.092 28.804 1.00 0.00 C ATOM 0 H PHE A 115 14.713 16.614 29.554 1.00 0.00 H new ATOM 0 HA PHE A 115 15.727 15.072 27.445 1.00 0.00 H new ATOM 0 HB2 PHE A 115 16.271 14.259 29.563 1.00 0.00 H new ATOM 0 HB3 PHE A 115 14.688 14.612 30.228 1.00 0.00 H new ATOM 0 HD1 PHE A 115 12.719 13.123 29.592 1.00 0.00 H new ATOM 0 HD2 PHE A 115 16.785 12.100 28.674 1.00 0.00 H new ATOM 0 HE1 PHE A 115 12.048 10.760 29.275 1.00 0.00 H new ATOM 0 HE2 PHE A 115 16.117 9.730 28.371 1.00 0.00 H new ATOM 0 HZ PHE A 115 13.748 9.061 28.670 1.00 0.00 H new ATOM 1782 N LEU A 116 12.501 14.660 27.842 1.00 0.00 N ATOM 1783 CA LEU A 116 11.299 14.080 27.191 1.00 0.00 C ATOM 1784 C LEU A 116 11.035 14.763 25.844 1.00 0.00 C ATOM 1785 O LEU A 116 10.963 14.106 24.821 1.00 0.00 O ATOM 1786 CB LEU A 116 10.120 14.257 28.153 1.00 0.00 C ATOM 1787 CG LEU A 116 8.868 13.549 27.638 1.00 0.00 C ATOM 1788 CD1 LEU A 116 8.162 14.467 26.646 1.00 0.00 C ATOM 1789 CD2 LEU A 116 9.244 12.226 26.959 1.00 0.00 C ATOM 0 H LEU A 116 12.311 15.226 28.669 1.00 0.00 H new ATOM 0 HA LEU A 116 11.446 13.020 26.982 1.00 0.00 H new ATOM 0 HB2 LEU A 116 10.386 13.862 29.133 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.911 15.319 28.284 1.00 0.00 H new ATOM 0 HG LEU A 116 8.204 13.325 28.473 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.265 13.975 26.269 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.884 15.396 27.144 1.00 0.00 H new ATOM 0 HD13 LEU A 116 8.831 14.688 25.814 1.00 0.00 H new ATOM 0 HD21 LEU A 116 8.341 11.733 26.597 1.00 0.00 H new ATOM 0 HD22 LEU A 116 9.910 12.424 26.120 1.00 0.00 H new ATOM 0 HD23 LEU A 116 9.748 11.579 27.677 1.00 0.00 H new ATOM 1801 N VAL A 117 10.909 16.064 25.806 1.00 0.00 N ATOM 1802 CA VAL A 117 10.677 16.713 24.493 1.00 0.00 C ATOM 1803 C VAL A 117 11.844 16.352 23.573 1.00 0.00 C ATOM 1804 O VAL A 117 11.653 15.930 22.451 1.00 0.00 O ATOM 1805 CB VAL A 117 10.591 18.233 24.644 1.00 0.00 C ATOM 1806 CG1 VAL A 117 9.405 18.609 25.532 1.00 0.00 C ATOM 1807 CG2 VAL A 117 11.888 18.765 25.250 1.00 0.00 C ATOM 0 H VAL A 117 10.956 16.689 26.611 1.00 0.00 H new ATOM 0 HA VAL A 117 9.733 16.363 24.075 1.00 0.00 H new ATOM 0 HB VAL A 117 10.446 18.680 23.660 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.355 19.693 25.632 1.00 0.00 H new ATOM 0 HG12 VAL A 117 8.483 18.243 25.081 1.00 0.00 H new ATOM 0 HG13 VAL A 117 9.531 18.159 26.517 1.00 0.00 H new ATOM 0 HG21 VAL A 117 11.823 19.848 25.356 1.00 0.00 H new ATOM 0 HG22 VAL A 117 12.044 18.313 26.230 1.00 0.00 H new ATOM 0 HG23 VAL A 117 12.724 18.514 24.597 1.00 0.00 H new ATOM 1817 N ALA A 118 13.059 16.500 24.039 1.00 0.00 N ATOM 1818 CA ALA A 118 14.220 16.147 23.175 1.00 0.00 C ATOM 1819 C ALA A 118 13.965 14.789 22.528 1.00 0.00 C ATOM 1820 O ALA A 118 14.052 14.643 21.324 1.00 0.00 O ATOM 1821 CB ALA A 118 15.512 16.080 23.997 1.00 0.00 C ATOM 0 H ALA A 118 13.293 16.846 24.970 1.00 0.00 H new ATOM 0 HA ALA A 118 14.334 16.916 22.411 1.00 0.00 H new ATOM 0 HB1 ALA A 118 16.346 15.821 23.344 1.00 0.00 H new ATOM 0 HB2 ALA A 118 15.700 17.049 24.458 1.00 0.00 H new ATOM 0 HB3 ALA A 118 15.410 15.322 24.774 1.00 0.00 H new ATOM 1827 N ALA A 119 13.642 13.789 23.313 1.00 0.00 N ATOM 1828 CA ALA A 119 13.377 12.447 22.721 1.00 0.00 C ATOM 1829 C ALA A 119 12.489 12.623 21.496 1.00 0.00 C ATOM 1830 O ALA A 119 12.811 12.177 20.412 1.00 0.00 O ATOM 1831 CB ALA A 119 12.655 11.556 23.732 1.00 0.00 C ATOM 0 H ALA A 119 13.552 13.846 24.327 1.00 0.00 H new ATOM 0 HA ALA A 119 14.323 11.980 22.447 1.00 0.00 H new ATOM 0 HB1 ALA A 119 12.467 10.579 23.287 1.00 0.00 H new ATOM 0 HB2 ALA A 119 13.275 11.437 24.620 1.00 0.00 H new ATOM 0 HB3 ALA A 119 11.707 12.016 24.010 1.00 0.00 H new ATOM 1837 N HIS A 120 11.370 13.268 21.659 1.00 0.00 N ATOM 1838 CA HIS A 120 10.471 13.462 20.496 1.00 0.00 C ATOM 1839 C HIS A 120 11.295 13.935 19.301 1.00 0.00 C ATOM 1840 O HIS A 120 11.406 13.249 18.302 1.00 0.00 O ATOM 1841 CB HIS A 120 9.398 14.503 20.819 1.00 0.00 C ATOM 1842 CG HIS A 120 8.363 14.469 19.730 1.00 0.00 C ATOM 1843 ND1 HIS A 120 7.295 13.583 19.748 1.00 0.00 N ATOM 1844 CD2 HIS A 120 8.245 15.176 18.561 1.00 0.00 C ATOM 1845 CE1 HIS A 120 6.590 13.777 18.618 1.00 0.00 C ATOM 1846 NE2 HIS A 120 7.126 14.736 17.859 1.00 0.00 N ATOM 0 H HIS A 120 11.043 13.665 22.540 1.00 0.00 H new ATOM 0 HA HIS A 120 9.982 12.516 20.262 1.00 0.00 H new ATOM 0 HB2 HIS A 120 8.940 14.289 21.785 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.842 15.496 20.890 1.00 0.00 H new ATOM 0 HD1 HIS A 120 7.083 12.908 20.483 1.00 0.00 H new ATOM 0 HD2 HIS A 120 8.918 15.955 18.235 1.00 0.00 H new ATOM 0 HE1 HIS A 120 5.699 13.224 18.357 1.00 0.00 H new ATOM 1854 N GLU A 121 11.877 15.097 19.386 1.00 0.00 N ATOM 1855 CA GLU A 121 12.688 15.591 18.239 1.00 0.00 C ATOM 1856 C GLU A 121 13.882 14.659 18.009 1.00 0.00 C ATOM 1857 O GLU A 121 14.491 14.678 16.957 1.00 0.00 O ATOM 1858 CB GLU A 121 13.163 17.022 18.506 1.00 0.00 C ATOM 1859 CG GLU A 121 11.947 17.953 18.545 1.00 0.00 C ATOM 1860 CD GLU A 121 11.108 17.756 17.277 1.00 0.00 C ATOM 1861 OE1 GLU A 121 11.662 17.306 16.288 1.00 0.00 O ATOM 1862 OE2 GLU A 121 9.928 18.060 17.317 1.00 0.00 O ATOM 0 H GLU A 121 11.828 15.721 20.191 1.00 0.00 H new ATOM 0 HA GLU A 121 12.071 15.597 17.340 1.00 0.00 H new ATOM 0 HB2 GLU A 121 13.703 17.069 19.451 1.00 0.00 H new ATOM 0 HB3 GLU A 121 13.856 17.340 17.727 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.344 17.743 19.428 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.273 18.990 18.620 1.00 0.00 H new ATOM 1869 N PHE A 122 14.204 13.813 18.956 1.00 0.00 N ATOM 1870 CA PHE A 122 15.334 12.866 18.733 1.00 0.00 C ATOM 1871 C PHE A 122 14.795 11.683 17.931 1.00 0.00 C ATOM 1872 O PHE A 122 15.536 10.869 17.423 1.00 0.00 O ATOM 1873 CB PHE A 122 15.874 12.354 20.070 1.00 0.00 C ATOM 1874 CG PHE A 122 17.123 13.112 20.459 1.00 0.00 C ATOM 1875 CD1 PHE A 122 18.247 13.108 19.620 1.00 0.00 C ATOM 1876 CD2 PHE A 122 17.161 13.808 21.672 1.00 0.00 C ATOM 1877 CE1 PHE A 122 19.405 13.802 19.997 1.00 0.00 C ATOM 1878 CE2 PHE A 122 18.315 14.498 22.049 1.00 0.00 C ATOM 1879 CZ PHE A 122 19.439 14.498 21.212 1.00 0.00 C ATOM 0 H PHE A 122 13.739 13.739 19.861 1.00 0.00 H new ATOM 0 HA PHE A 122 16.141 13.371 18.202 1.00 0.00 H new ATOM 0 HB2 PHE A 122 15.115 12.469 20.844 1.00 0.00 H new ATOM 0 HB3 PHE A 122 16.095 11.289 19.996 1.00 0.00 H new ATOM 0 HD1 PHE A 122 18.220 12.570 18.684 1.00 0.00 H new ATOM 0 HD2 PHE A 122 16.296 13.812 22.318 1.00 0.00 H new ATOM 0 HE1 PHE A 122 20.271 13.800 19.351 1.00 0.00 H new ATOM 0 HE2 PHE A 122 18.341 15.032 22.987 1.00 0.00 H new ATOM 0 HZ PHE A 122 20.330 15.034 21.503 1.00 0.00 H new ATOM 1889 N GLY A 123 13.497 11.604 17.791 1.00 0.00 N ATOM 1890 CA GLY A 123 12.893 10.504 16.997 1.00 0.00 C ATOM 1891 C GLY A 123 12.571 11.059 15.618 1.00 0.00 C ATOM 1892 O GLY A 123 12.913 10.483 14.606 1.00 0.00 O ATOM 0 H GLY A 123 12.830 12.260 18.197 1.00 0.00 H new ATOM 0 HA2 GLY A 123 13.582 9.663 16.920 1.00 0.00 H new ATOM 0 HA3 GLY A 123 11.990 10.133 17.481 1.00 0.00 H new ATOM 1896 N HIS A 124 11.934 12.196 15.570 1.00 0.00 N ATOM 1897 CA HIS A 124 11.611 12.808 14.253 1.00 0.00 C ATOM 1898 C HIS A 124 12.904 12.974 13.455 1.00 0.00 C ATOM 1899 O HIS A 124 12.946 12.731 12.264 1.00 0.00 O ATOM 1900 CB HIS A 124 10.969 14.175 14.462 1.00 0.00 C ATOM 1901 CG HIS A 124 9.478 14.018 14.466 1.00 0.00 C ATOM 1902 ND1 HIS A 124 8.751 13.805 13.306 1.00 0.00 N ATOM 1903 CD2 HIS A 124 8.561 14.043 15.485 1.00 0.00 C ATOM 1904 CE1 HIS A 124 7.452 13.709 13.653 1.00 0.00 C ATOM 1905 NE2 HIS A 124 7.280 13.850 14.972 1.00 0.00 N ATOM 0 H HIS A 124 11.624 12.726 16.384 1.00 0.00 H new ATOM 0 HA HIS A 124 10.916 12.166 13.712 1.00 0.00 H new ATOM 0 HB2 HIS A 124 11.305 14.609 15.404 1.00 0.00 H new ATOM 0 HB3 HIS A 124 11.274 14.859 13.670 1.00 0.00 H new ATOM 0 HD1 HIS A 124 9.130 13.734 12.362 1.00 0.00 H new ATOM 0 HD2 HIS A 124 8.796 14.190 16.529 1.00 0.00 H new ATOM 0 HE1 HIS A 124 6.648 13.539 12.952 1.00 0.00 H new ATOM 1913 N ALA A 125 13.963 13.376 14.107 1.00 0.00 N ATOM 1914 CA ALA A 125 15.260 13.549 13.390 1.00 0.00 C ATOM 1915 C ALA A 125 15.806 12.176 12.978 1.00 0.00 C ATOM 1916 O ALA A 125 16.829 12.072 12.328 1.00 0.00 O ATOM 1917 CB ALA A 125 16.268 14.228 14.320 1.00 0.00 C ATOM 0 H ALA A 125 13.986 13.592 15.104 1.00 0.00 H new ATOM 0 HA ALA A 125 15.103 14.163 12.503 1.00 0.00 H new ATOM 0 HB1 ALA A 125 17.216 14.355 13.798 1.00 0.00 H new ATOM 0 HB2 ALA A 125 15.886 15.203 14.621 1.00 0.00 H new ATOM 0 HB3 ALA A 125 16.421 13.610 15.204 1.00 0.00 H new ATOM 1923 N MET A 126 15.147 11.123 13.377 1.00 0.00 N ATOM 1924 CA MET A 126 15.632 9.759 13.046 1.00 0.00 C ATOM 1925 C MET A 126 14.809 9.147 11.898 1.00 0.00 C ATOM 1926 O MET A 126 15.213 8.174 11.293 1.00 0.00 O ATOM 1927 CB MET A 126 15.499 8.898 14.303 1.00 0.00 C ATOM 1928 CG MET A 126 16.753 9.064 15.164 1.00 0.00 C ATOM 1929 SD MET A 126 16.672 7.939 16.579 1.00 0.00 S ATOM 1930 CE MET A 126 18.425 8.000 17.035 1.00 0.00 C ATOM 0 H MET A 126 14.286 11.153 13.923 1.00 0.00 H new ATOM 0 HA MET A 126 16.671 9.805 12.718 1.00 0.00 H new ATOM 0 HB2 MET A 126 14.614 9.193 14.868 1.00 0.00 H new ATOM 0 HB3 MET A 126 15.368 7.851 14.029 1.00 0.00 H new ATOM 0 HG2 MET A 126 17.644 8.855 14.571 1.00 0.00 H new ATOM 0 HG3 MET A 126 16.835 10.094 15.510 1.00 0.00 H new ATOM 0 HE1 MET A 126 18.793 6.988 17.201 1.00 0.00 H new ATOM 0 HE2 MET A 126 18.994 8.466 16.231 1.00 0.00 H new ATOM 0 HE3 MET A 126 18.543 8.583 17.948 1.00 0.00 H new ATOM 1940 N GLY A 127 13.670 9.709 11.576 1.00 0.00 N ATOM 1941 CA GLY A 127 12.853 9.149 10.451 1.00 0.00 C ATOM 1942 C GLY A 127 11.487 8.672 10.959 1.00 0.00 C ATOM 1943 O GLY A 127 10.598 8.375 10.184 1.00 0.00 O ATOM 0 H GLY A 127 13.271 10.526 12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 127 12.715 9.909 9.681 1.00 0.00 H new ATOM 0 HA3 GLY A 127 13.385 8.318 9.987 1.00 0.00 H new ATOM 1947 N LEU A 128 11.308 8.588 12.245 1.00 0.00 N ATOM 1948 CA LEU A 128 9.994 8.124 12.781 1.00 0.00 C ATOM 1949 C LEU A 128 8.999 9.286 12.780 1.00 0.00 C ATOM 1950 O LEU A 128 9.333 10.401 13.124 1.00 0.00 O ATOM 1951 CB LEU A 128 10.180 7.618 14.212 1.00 0.00 C ATOM 1952 CG LEU A 128 11.095 6.392 14.214 1.00 0.00 C ATOM 1953 CD1 LEU A 128 11.065 5.741 15.595 1.00 0.00 C ATOM 1954 CD2 LEU A 128 10.606 5.380 13.175 1.00 0.00 C ATOM 0 H LEU A 128 12.009 8.819 12.949 1.00 0.00 H new ATOM 0 HA LEU A 128 9.611 7.319 12.154 1.00 0.00 H new ATOM 0 HB2 LEU A 128 10.609 8.405 14.833 1.00 0.00 H new ATOM 0 HB3 LEU A 128 9.213 7.362 14.645 1.00 0.00 H new ATOM 0 HG LEU A 128 12.111 6.702 13.971 1.00 0.00 H new ATOM 0 HD11 LEU A 128 11.716 4.867 15.599 1.00 0.00 H new ATOM 0 HD12 LEU A 128 11.412 6.455 16.342 1.00 0.00 H new ATOM 0 HD13 LEU A 128 10.046 5.435 15.831 1.00 0.00 H new ATOM 0 HD21 LEU A 128 11.261 4.508 13.180 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.589 5.072 13.418 1.00 0.00 H new ATOM 0 HD23 LEU A 128 10.620 5.838 12.186 1.00 0.00 H new ATOM 1966 N GLU A 129 7.775 9.034 12.402 1.00 0.00 N ATOM 1967 CA GLU A 129 6.761 10.130 12.389 1.00 0.00 C ATOM 1968 C GLU A 129 5.660 9.829 13.412 1.00 0.00 C ATOM 1969 O GLU A 129 5.673 8.812 14.080 1.00 0.00 O ATOM 1970 CB GLU A 129 6.147 10.253 10.991 1.00 0.00 C ATOM 1971 CG GLU A 129 7.218 9.984 9.931 1.00 0.00 C ATOM 1972 CD GLU A 129 7.113 8.537 9.458 1.00 0.00 C ATOM 1973 OE1 GLU A 129 6.363 8.291 8.525 1.00 0.00 O ATOM 1974 OE2 GLU A 129 7.782 7.698 10.035 1.00 0.00 O ATOM 0 H GLU A 129 7.433 8.121 12.103 1.00 0.00 H new ATOM 0 HA GLU A 129 7.247 11.070 12.650 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.326 9.544 10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 129 5.728 11.250 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 129 7.090 10.664 9.088 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.209 10.172 10.344 1.00 0.00 H new ATOM 1981 N HIS A 130 4.715 10.715 13.544 1.00 0.00 N ATOM 1982 CA HIS A 130 3.611 10.503 14.530 1.00 0.00 C ATOM 1983 C HIS A 130 2.915 9.163 14.267 1.00 0.00 C ATOM 1984 O HIS A 130 2.810 8.716 13.142 1.00 0.00 O ATOM 1985 CB HIS A 130 2.574 11.625 14.400 1.00 0.00 C ATOM 1986 CG HIS A 130 3.139 12.933 14.890 1.00 0.00 C ATOM 1987 ND1 HIS A 130 4.352 13.275 15.438 1.00 0.00 N flip ATOM 1988 CD2 HIS A 130 2.400 14.107 14.849 1.00 0.00 C flip ATOM 1989 CE1 HIS A 130 4.366 14.636 15.735 1.00 0.00 C flip ATOM 1990 NE2 HIS A 130 3.167 15.090 15.360 1.00 0.00 N flip ATOM 0 H HIS A 130 4.656 11.582 13.011 1.00 0.00 H new ATOM 0 HA HIS A 130 4.040 10.504 15.532 1.00 0.00 H new ATOM 0 HB2 HIS A 130 2.266 11.723 13.359 1.00 0.00 H new ATOM 0 HB3 HIS A 130 1.682 11.371 14.973 1.00 0.00 H new ATOM 0 HD2 HIS A 130 1.392 14.213 14.475 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.173 15.203 16.174 1.00 0.00 H new ATOM 0 HE2 HIS A 130 2.869 16.061 15.449 1.00 0.00 H new ATOM 1998 N SER A 131 2.422 8.531 15.299 1.00 0.00 N ATOM 1999 CA SER A 131 1.711 7.233 15.121 1.00 0.00 C ATOM 2000 C SER A 131 0.230 7.434 15.455 1.00 0.00 C ATOM 2001 O SER A 131 -0.217 8.540 15.676 1.00 0.00 O ATOM 2002 CB SER A 131 2.310 6.189 16.063 1.00 0.00 C ATOM 2003 OG SER A 131 2.300 6.691 17.395 1.00 0.00 O ATOM 0 H SER A 131 2.482 8.861 16.262 1.00 0.00 H new ATOM 0 HA SER A 131 1.817 6.889 14.092 1.00 0.00 H new ATOM 0 HB2 SER A 131 1.738 5.263 16.008 1.00 0.00 H new ATOM 0 HB3 SER A 131 3.330 5.952 15.760 1.00 0.00 H new ATOM 0 HG SER A 131 1.428 6.514 17.805 1.00 0.00 H new ATOM 2009 N GLN A 132 -0.537 6.380 15.491 1.00 0.00 N ATOM 2010 CA GLN A 132 -1.988 6.529 15.808 1.00 0.00 C ATOM 2011 C GLN A 132 -2.269 5.984 17.213 1.00 0.00 C ATOM 2012 O GLN A 132 -3.312 6.226 17.786 1.00 0.00 O ATOM 2013 CB GLN A 132 -2.812 5.744 14.785 1.00 0.00 C ATOM 2014 CG GLN A 132 -4.154 6.443 14.554 1.00 0.00 C ATOM 2015 CD GLN A 132 -3.948 7.684 13.681 1.00 0.00 C ATOM 2016 OE1 GLN A 132 -2.842 7.985 13.280 1.00 0.00 O ATOM 2017 NE2 GLN A 132 -4.976 8.419 13.362 1.00 0.00 N ATOM 0 H GLN A 132 -0.225 5.425 15.316 1.00 0.00 H new ATOM 0 HA GLN A 132 -2.261 7.584 15.769 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -2.265 5.668 13.845 1.00 0.00 H new ATOM 0 HB3 GLN A 132 -2.978 4.727 15.141 1.00 0.00 H new ATOM 0 HG2 GLN A 132 -4.852 5.759 14.071 1.00 0.00 H new ATOM 0 HG3 GLN A 132 -4.595 6.728 15.509 1.00 0.00 H new ATOM 0 HE21 GLN A 132 -5.906 8.168 13.698 1.00 0.00 H new ATOM 0 HE22 GLN A 132 -4.850 9.245 12.777 1.00 0.00 H new ATOM 2026 N ASP A 133 -1.349 5.249 17.766 1.00 0.00 N ATOM 2027 CA ASP A 133 -1.564 4.682 19.126 1.00 0.00 C ATOM 2028 C ASP A 133 -1.527 5.813 20.172 1.00 0.00 C ATOM 2029 O ASP A 133 -0.660 6.665 20.128 1.00 0.00 O ATOM 2030 CB ASP A 133 -0.458 3.657 19.410 1.00 0.00 C ATOM 2031 CG ASP A 133 -1.076 2.262 19.566 1.00 0.00 C ATOM 2032 OD1 ASP A 133 -1.287 1.609 18.555 1.00 0.00 O ATOM 2033 OD2 ASP A 133 -1.323 1.869 20.695 1.00 0.00 O ATOM 0 H ASP A 133 -0.455 5.015 17.335 1.00 0.00 H new ATOM 0 HA ASP A 133 -2.537 4.193 19.180 1.00 0.00 H new ATOM 0 HB2 ASP A 133 0.268 3.655 18.597 1.00 0.00 H new ATOM 0 HB3 ASP A 133 0.081 3.930 20.317 1.00 0.00 H new ATOM 2038 N PRO A 134 -2.480 5.785 21.082 1.00 0.00 N ATOM 2039 CA PRO A 134 -2.602 6.788 22.142 1.00 0.00 C ATOM 2040 C PRO A 134 -1.623 6.490 23.255 1.00 0.00 C ATOM 2041 O PRO A 134 -1.740 5.533 23.994 1.00 0.00 O ATOM 2042 CB PRO A 134 -4.029 6.654 22.627 1.00 0.00 C ATOM 2043 CG PRO A 134 -4.491 5.236 22.225 1.00 0.00 C ATOM 2044 CD PRO A 134 -3.511 4.746 21.140 1.00 0.00 C ATOM 0 HA PRO A 134 -2.381 7.798 21.796 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -4.087 6.791 23.707 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -4.667 7.414 22.175 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -4.483 4.567 23.086 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -5.513 5.254 21.845 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -3.084 3.777 21.399 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -4.010 4.628 20.178 1.00 0.00 H new ATOM 2052 N GLY A 135 -0.659 7.316 23.345 1.00 0.00 N ATOM 2053 CA GLY A 135 0.404 7.153 24.373 1.00 0.00 C ATOM 2054 C GLY A 135 1.743 6.948 23.667 1.00 0.00 C ATOM 2055 O GLY A 135 2.778 6.841 24.296 1.00 0.00 O ATOM 0 H GLY A 135 -0.543 8.128 22.739 1.00 0.00 H new ATOM 0 HA2 GLY A 135 0.446 8.033 25.015 1.00 0.00 H new ATOM 0 HA3 GLY A 135 0.181 6.301 25.015 1.00 0.00 H new ATOM 2059 N ALA A 136 1.732 6.893 22.359 1.00 0.00 N ATOM 2060 CA ALA A 136 3.003 6.695 21.613 1.00 0.00 C ATOM 2061 C ALA A 136 3.947 7.854 21.905 1.00 0.00 C ATOM 2062 O ALA A 136 3.574 8.839 22.511 1.00 0.00 O ATOM 2063 CB ALA A 136 2.724 6.647 20.109 1.00 0.00 C ATOM 0 H ALA A 136 0.897 6.977 21.780 1.00 0.00 H new ATOM 0 HA ALA A 136 3.457 5.756 21.928 1.00 0.00 H new ATOM 0 HB1 ALA A 136 3.660 6.502 19.570 1.00 0.00 H new ATOM 0 HB2 ALA A 136 2.047 5.821 19.891 1.00 0.00 H new ATOM 0 HB3 ALA A 136 2.265 7.584 19.794 1.00 0.00 H new ATOM 2069 N LEU A 137 5.166 7.742 21.480 1.00 0.00 N ATOM 2070 CA LEU A 137 6.133 8.834 21.733 1.00 0.00 C ATOM 2071 C LEU A 137 6.001 9.909 20.642 1.00 0.00 C ATOM 2072 O LEU A 137 6.316 11.061 20.858 1.00 0.00 O ATOM 2073 CB LEU A 137 7.549 8.255 21.740 1.00 0.00 C ATOM 2074 CG LEU A 137 8.581 9.385 21.673 1.00 0.00 C ATOM 2075 CD1 LEU A 137 8.232 10.484 22.686 1.00 0.00 C ATOM 2076 CD2 LEU A 137 9.967 8.824 22.004 1.00 0.00 C ATOM 0 H LEU A 137 5.536 6.941 20.968 1.00 0.00 H new ATOM 0 HA LEU A 137 5.927 9.294 22.700 1.00 0.00 H new ATOM 0 HB2 LEU A 137 7.704 7.664 22.643 1.00 0.00 H new ATOM 0 HB3 LEU A 137 7.679 7.582 20.892 1.00 0.00 H new ATOM 0 HG LEU A 137 8.577 9.809 20.669 1.00 0.00 H new ATOM 0 HD11 LEU A 137 8.973 11.281 22.628 1.00 0.00 H new ATOM 0 HD12 LEU A 137 7.246 10.889 22.459 1.00 0.00 H new ATOM 0 HD13 LEU A 137 8.229 10.064 23.692 1.00 0.00 H new ATOM 0 HD21 LEU A 137 10.704 9.625 21.957 1.00 0.00 H new ATOM 0 HD22 LEU A 137 9.957 8.398 23.007 1.00 0.00 H new ATOM 0 HD23 LEU A 137 10.227 8.049 21.283 1.00 0.00 H new ATOM 2088 N MET A 138 5.538 9.544 19.471 1.00 0.00 N ATOM 2089 CA MET A 138 5.396 10.561 18.376 1.00 0.00 C ATOM 2090 C MET A 138 3.953 11.077 18.293 1.00 0.00 C ATOM 2091 O MET A 138 3.621 11.859 17.427 1.00 0.00 O ATOM 2092 CB MET A 138 5.772 9.933 17.034 1.00 0.00 C ATOM 2093 CG MET A 138 7.190 9.371 17.108 1.00 0.00 C ATOM 2094 SD MET A 138 8.308 10.443 16.171 1.00 0.00 S ATOM 2095 CE MET A 138 8.812 11.496 17.552 1.00 0.00 C ATOM 0 H MET A 138 5.254 8.596 19.225 1.00 0.00 H new ATOM 0 HA MET A 138 6.061 11.395 18.601 1.00 0.00 H new ATOM 0 HB2 MET A 138 5.068 9.139 16.783 1.00 0.00 H new ATOM 0 HB3 MET A 138 5.707 10.679 16.242 1.00 0.00 H new ATOM 0 HG2 MET A 138 7.514 9.307 18.147 1.00 0.00 H new ATOM 0 HG3 MET A 138 7.214 8.359 16.704 1.00 0.00 H new ATOM 0 HE1 MET A 138 8.508 12.524 17.355 1.00 0.00 H new ATOM 0 HE2 MET A 138 8.337 11.146 18.469 1.00 0.00 H new ATOM 0 HE3 MET A 138 9.895 11.453 17.666 1.00 0.00 H new ATOM 2105 N ALA A 139 3.099 10.662 19.185 1.00 0.00 N ATOM 2106 CA ALA A 139 1.687 11.148 19.151 1.00 0.00 C ATOM 2107 C ALA A 139 1.675 12.653 18.842 1.00 0.00 C ATOM 2108 O ALA A 139 2.660 13.330 19.063 1.00 0.00 O ATOM 2109 CB ALA A 139 1.052 10.897 20.517 1.00 0.00 C ATOM 0 H ALA A 139 3.315 10.008 19.937 1.00 0.00 H new ATOM 0 HA ALA A 139 1.125 10.621 18.380 1.00 0.00 H new ATOM 0 HB1 ALA A 139 0.020 11.247 20.508 1.00 0.00 H new ATOM 0 HB2 ALA A 139 1.071 9.830 20.737 1.00 0.00 H new ATOM 0 HB3 ALA A 139 1.611 11.435 21.283 1.00 0.00 H new ATOM 2115 N PRO A 140 0.571 13.133 18.321 1.00 0.00 N ATOM 2116 CA PRO A 140 0.423 14.555 17.951 1.00 0.00 C ATOM 2117 C PRO A 140 0.184 15.437 19.184 1.00 0.00 C ATOM 2118 O PRO A 140 0.012 16.634 19.076 1.00 0.00 O ATOM 2119 CB PRO A 140 -0.796 14.562 17.027 1.00 0.00 C ATOM 2120 CG PRO A 140 -1.607 13.289 17.365 1.00 0.00 C ATOM 2121 CD PRO A 140 -0.629 12.311 18.050 1.00 0.00 C ATOM 0 HA PRO A 140 1.319 14.958 17.478 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -1.397 15.458 17.183 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -0.490 14.561 15.981 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -2.443 13.526 18.024 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -2.028 12.847 16.462 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -1.050 11.905 18.970 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -0.395 11.464 17.405 1.00 0.00 H new ATOM 2129 N ILE A 141 0.189 14.865 20.353 1.00 0.00 N ATOM 2130 CA ILE A 141 -0.019 15.685 21.584 1.00 0.00 C ATOM 2131 C ILE A 141 1.098 15.354 22.572 1.00 0.00 C ATOM 2132 O ILE A 141 1.753 14.339 22.457 1.00 0.00 O ATOM 2133 CB ILE A 141 -1.387 15.388 22.224 1.00 0.00 C ATOM 2134 CG1 ILE A 141 -2.040 14.185 21.539 1.00 0.00 C ATOM 2135 CG2 ILE A 141 -2.296 16.615 22.092 1.00 0.00 C ATOM 2136 CD1 ILE A 141 -1.403 12.901 22.073 1.00 0.00 C ATOM 0 H ILE A 141 0.328 13.867 20.513 1.00 0.00 H new ATOM 0 HA ILE A 141 0.001 16.743 21.321 1.00 0.00 H new ATOM 0 HB ILE A 141 -1.241 15.157 23.279 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -3.113 14.180 21.730 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -1.908 14.250 20.459 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.264 16.401 22.546 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -1.837 17.464 22.598 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -2.435 16.853 21.037 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -1.863 12.039 21.590 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -0.334 12.909 21.860 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -1.558 12.839 23.150 1.00 0.00 H new ATOM 2148 N TYR A 142 1.333 16.201 23.530 1.00 0.00 N ATOM 2149 CA TYR A 142 2.423 15.929 24.506 1.00 0.00 C ATOM 2150 C TYR A 142 2.186 14.564 25.176 1.00 0.00 C ATOM 2151 O TYR A 142 2.744 13.569 24.761 1.00 0.00 O ATOM 2152 CB TYR A 142 2.446 17.055 25.538 1.00 0.00 C ATOM 2153 CG TYR A 142 3.619 16.884 26.472 1.00 0.00 C ATOM 2154 CD1 TYR A 142 4.904 17.278 26.073 1.00 0.00 C ATOM 2155 CD2 TYR A 142 3.418 16.345 27.745 1.00 0.00 C ATOM 2156 CE1 TYR A 142 5.981 17.133 26.952 1.00 0.00 C ATOM 2157 CE2 TYR A 142 4.495 16.197 28.620 1.00 0.00 C ATOM 2158 CZ TYR A 142 5.777 16.591 28.224 1.00 0.00 C ATOM 2159 OH TYR A 142 6.839 16.455 29.094 1.00 0.00 O ATOM 0 H TYR A 142 0.819 17.069 23.681 1.00 0.00 H new ATOM 0 HA TYR A 142 3.389 15.893 24.002 1.00 0.00 H new ATOM 0 HB2 TYR A 142 2.511 18.019 25.033 1.00 0.00 H new ATOM 0 HB3 TYR A 142 1.516 17.055 26.107 1.00 0.00 H new ATOM 0 HD1 TYR A 142 5.061 17.693 25.088 1.00 0.00 H new ATOM 0 HD2 TYR A 142 2.428 16.042 28.052 1.00 0.00 H new ATOM 0 HE1 TYR A 142 6.971 17.440 26.648 1.00 0.00 H new ATOM 0 HE2 TYR A 142 4.338 15.778 29.603 1.00 0.00 H new ATOM 0 HH TYR A 142 6.511 16.153 29.966 1.00 0.00 H new ATOM 2169 N THR A 143 1.352 14.500 26.186 1.00 0.00 N ATOM 2170 CA THR A 143 1.064 13.186 26.850 1.00 0.00 C ATOM 2171 C THR A 143 2.155 12.809 27.868 1.00 0.00 C ATOM 2172 O THR A 143 1.869 12.192 28.875 1.00 0.00 O ATOM 2173 CB THR A 143 0.950 12.089 25.783 1.00 0.00 C ATOM 2174 OG1 THR A 143 0.242 12.595 24.655 1.00 0.00 O ATOM 2175 CG2 THR A 143 0.200 10.886 26.359 1.00 0.00 C ATOM 0 H THR A 143 0.857 15.300 26.580 1.00 0.00 H new ATOM 0 HA THR A 143 0.123 13.281 27.392 1.00 0.00 H new ATOM 0 HB THR A 143 1.949 11.778 25.477 1.00 0.00 H new ATOM 0 HG1 THR A 143 0.437 12.041 23.871 1.00 0.00 H new ATOM 0 HG21 THR A 143 0.121 10.109 25.599 1.00 0.00 H new ATOM 0 HG22 THR A 143 0.743 10.497 27.220 1.00 0.00 H new ATOM 0 HG23 THR A 143 -0.799 11.194 26.669 1.00 0.00 H new ATOM 2183 N TYR A 144 3.392 13.160 27.629 1.00 0.00 N ATOM 2184 CA TYR A 144 4.471 12.794 28.612 1.00 0.00 C ATOM 2185 C TYR A 144 4.732 11.286 28.544 1.00 0.00 C ATOM 2186 O TYR A 144 4.038 10.561 27.857 1.00 0.00 O ATOM 2187 CB TYR A 144 4.002 13.147 30.031 1.00 0.00 C ATOM 2188 CG TYR A 144 5.185 13.358 30.959 1.00 0.00 C ATOM 2189 CD1 TYR A 144 6.256 14.156 30.550 1.00 0.00 C ATOM 2190 CD2 TYR A 144 5.193 12.786 32.241 1.00 0.00 C ATOM 2191 CE1 TYR A 144 7.335 14.385 31.414 1.00 0.00 C ATOM 2192 CE2 TYR A 144 6.278 13.010 33.104 1.00 0.00 C ATOM 2193 CZ TYR A 144 7.346 13.813 32.691 1.00 0.00 C ATOM 2194 OH TYR A 144 8.410 14.045 33.543 1.00 0.00 O ATOM 0 H TYR A 144 3.705 13.678 26.808 1.00 0.00 H new ATOM 0 HA TYR A 144 5.382 13.341 28.370 1.00 0.00 H new ATOM 0 HB2 TYR A 144 3.392 14.050 30.002 1.00 0.00 H new ATOM 0 HB3 TYR A 144 3.370 12.348 30.418 1.00 0.00 H new ATOM 0 HD1 TYR A 144 6.252 14.598 29.565 1.00 0.00 H new ATOM 0 HD2 TYR A 144 4.364 12.173 32.564 1.00 0.00 H new ATOM 0 HE1 TYR A 144 8.160 15.004 31.094 1.00 0.00 H new ATOM 0 HE2 TYR A 144 6.288 12.562 34.087 1.00 0.00 H new ATOM 0 HH TYR A 144 8.259 13.575 34.390 1.00 0.00 H new ATOM 2204 N THR A 145 5.711 10.800 29.266 1.00 0.00 N ATOM 2205 CA THR A 145 5.976 9.335 29.244 1.00 0.00 C ATOM 2206 C THR A 145 5.074 8.649 30.264 1.00 0.00 C ATOM 2207 O THR A 145 5.160 7.456 30.474 1.00 0.00 O ATOM 2208 CB THR A 145 7.430 9.034 29.610 1.00 0.00 C ATOM 2209 OG1 THR A 145 7.568 9.065 31.016 1.00 0.00 O ATOM 2210 CG2 THR A 145 8.378 10.058 29.006 1.00 0.00 C ATOM 0 H THR A 145 6.330 11.350 29.862 1.00 0.00 H new ATOM 0 HA THR A 145 5.778 8.967 28.237 1.00 0.00 H new ATOM 0 HB THR A 145 7.683 8.050 29.215 1.00 0.00 H new ATOM 0 HG1 THR A 145 8.518 9.111 31.250 1.00 0.00 H new ATOM 0 HG21 THR A 145 9.403 9.814 29.286 1.00 0.00 H new ATOM 0 HG22 THR A 145 8.285 10.044 27.920 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.126 11.051 29.379 1.00 0.00 H new ATOM 2218 N LYS A 146 4.202 9.385 30.894 1.00 0.00 N ATOM 2219 CA LYS A 146 3.292 8.759 31.888 1.00 0.00 C ATOM 2220 C LYS A 146 4.081 7.843 32.835 1.00 0.00 C ATOM 2221 O LYS A 146 3.692 6.715 33.062 1.00 0.00 O ATOM 2222 CB LYS A 146 2.253 7.916 31.154 1.00 0.00 C ATOM 2223 CG LYS A 146 1.040 7.736 32.061 1.00 0.00 C ATOM 2224 CD LYS A 146 0.521 6.304 31.959 1.00 0.00 C ATOM 2225 CE LYS A 146 -0.978 6.333 31.655 1.00 0.00 C ATOM 2226 NZ LYS A 146 -1.259 5.491 30.461 1.00 0.00 N ATOM 0 H LYS A 146 4.081 10.389 30.763 1.00 0.00 H new ATOM 0 HA LYS A 146 2.809 9.547 32.466 1.00 0.00 H new ATOM 0 HB2 LYS A 146 1.960 8.403 30.224 1.00 0.00 H new ATOM 0 HB3 LYS A 146 2.673 6.946 30.888 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.310 7.961 33.093 1.00 0.00 H new ATOM 0 HG3 LYS A 146 0.255 8.437 31.777 1.00 0.00 H new ATOM 0 HD2 LYS A 146 1.053 5.767 31.174 1.00 0.00 H new ATOM 0 HD3 LYS A 146 0.705 5.770 32.892 1.00 0.00 H new ATOM 0 HE2 LYS A 146 -1.541 5.965 32.513 1.00 0.00 H new ATOM 0 HE3 LYS A 146 -1.304 7.358 31.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 -2.278 5.511 30.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 -0.733 5.861 29.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 -0.963 4.512 30.649 1.00 0.00 H new ATOM 2240 N ASN A 147 5.181 8.309 33.370 1.00 0.00 N ATOM 2241 CA ASN A 147 6.008 7.462 34.295 1.00 0.00 C ATOM 2242 C ASN A 147 7.022 6.676 33.471 1.00 0.00 C ATOM 2243 O ASN A 147 7.544 5.667 33.901 1.00 0.00 O ATOM 2244 CB ASN A 147 5.131 6.475 35.074 1.00 0.00 C ATOM 2245 CG ASN A 147 5.809 6.126 36.399 1.00 0.00 C ATOM 2246 OD1 ASN A 147 5.561 6.758 37.407 1.00 0.00 O ATOM 2247 ND2 ASN A 147 6.658 5.134 36.445 1.00 0.00 N ATOM 0 H ASN A 147 5.548 9.247 33.207 1.00 0.00 H new ATOM 0 HA ASN A 147 6.511 8.116 35.007 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.150 6.912 35.259 1.00 0.00 H new ATOM 0 HB3 ASN A 147 4.971 5.571 34.486 1.00 0.00 H new ATOM 0 HD21 ASN A 147 7.111 4.891 37.326 1.00 0.00 H new ATOM 0 HD22 ASN A 147 6.867 4.602 35.600 1.00 0.00 H new ATOM 2254 N PHE A 148 7.299 7.143 32.290 1.00 0.00 N ATOM 2255 CA PHE A 148 8.277 6.458 31.402 1.00 0.00 C ATOM 2256 C PHE A 148 7.908 4.978 31.262 1.00 0.00 C ATOM 2257 O PHE A 148 7.108 4.449 32.006 1.00 0.00 O ATOM 2258 CB PHE A 148 9.684 6.613 31.978 1.00 0.00 C ATOM 2259 CG PHE A 148 10.623 5.655 31.290 1.00 0.00 C ATOM 2260 CD1 PHE A 148 11.138 5.970 30.030 1.00 0.00 C ATOM 2261 CD2 PHE A 148 10.982 4.454 31.913 1.00 0.00 C ATOM 2262 CE1 PHE A 148 12.010 5.086 29.391 1.00 0.00 C ATOM 2263 CE2 PHE A 148 11.856 3.567 31.274 1.00 0.00 C ATOM 2264 CZ PHE A 148 12.371 3.884 30.012 1.00 0.00 C ATOM 0 H PHE A 148 6.882 7.986 31.894 1.00 0.00 H new ATOM 0 HA PHE A 148 8.252 6.912 30.411 1.00 0.00 H new ATOM 0 HB2 PHE A 148 10.032 7.637 31.844 1.00 0.00 H new ATOM 0 HB3 PHE A 148 9.672 6.418 33.050 1.00 0.00 H new ATOM 0 HD1 PHE A 148 10.862 6.897 29.550 1.00 0.00 H new ATOM 0 HD2 PHE A 148 10.584 4.212 32.887 1.00 0.00 H new ATOM 0 HE1 PHE A 148 12.407 5.330 28.416 1.00 0.00 H new ATOM 0 HE2 PHE A 148 12.132 2.640 31.754 1.00 0.00 H new ATOM 0 HZ PHE A 148 13.047 3.202 29.517 1.00 0.00 H new ATOM 2274 N ARG A 149 8.471 4.311 30.294 1.00 0.00 N ATOM 2275 CA ARG A 149 8.134 2.873 30.093 1.00 0.00 C ATOM 2276 C ARG A 149 8.616 2.421 28.715 1.00 0.00 C ATOM 2277 O ARG A 149 8.827 1.248 28.479 1.00 0.00 O ATOM 2278 CB ARG A 149 6.617 2.700 30.190 1.00 0.00 C ATOM 2279 CG ARG A 149 6.263 2.006 31.508 1.00 0.00 C ATOM 2280 CD ARG A 149 5.115 2.759 32.186 1.00 0.00 C ATOM 2281 NE ARG A 149 4.056 1.790 32.593 1.00 0.00 N ATOM 2282 CZ ARG A 149 4.169 1.124 33.713 1.00 0.00 C ATOM 2283 NH1 ARG A 149 5.212 1.295 34.481 1.00 0.00 N ATOM 2284 NH2 ARG A 149 3.237 0.280 34.062 1.00 0.00 N ATOM 0 H ARG A 149 9.147 4.697 29.635 1.00 0.00 H new ATOM 0 HA ARG A 149 8.623 2.269 30.857 1.00 0.00 H new ATOM 0 HB2 ARG A 149 6.126 3.671 30.135 1.00 0.00 H new ATOM 0 HB3 ARG A 149 6.253 2.111 29.348 1.00 0.00 H new ATOM 0 HG2 ARG A 149 5.974 0.972 31.321 1.00 0.00 H new ATOM 0 HG3 ARG A 149 7.133 1.980 32.164 1.00 0.00 H new ATOM 0 HD2 ARG A 149 5.485 3.298 33.058 1.00 0.00 H new ATOM 0 HD3 ARG A 149 4.701 3.502 31.504 1.00 0.00 H new ATOM 0 HE ARG A 149 3.241 1.647 31.996 1.00 0.00 H new ATOM 0 HH11 ARG A 149 5.944 1.951 34.208 1.00 0.00 H new ATOM 0 HH12 ARG A 149 5.294 0.773 35.353 1.00 0.00 H new ATOM 0 HH21 ARG A 149 2.424 0.141 33.462 1.00 0.00 H new ATOM 0 HH22 ARG A 149 3.322 -0.241 34.935 1.00 0.00 H new ATOM 2298 N LEU A 150 8.789 3.338 27.800 1.00 0.00 N ATOM 2299 CA LEU A 150 9.256 2.954 26.439 1.00 0.00 C ATOM 2300 C LEU A 150 8.146 2.177 25.737 1.00 0.00 C ATOM 2301 O LEU A 150 7.660 1.188 26.242 1.00 0.00 O ATOM 2302 CB LEU A 150 10.509 2.084 26.553 1.00 0.00 C ATOM 2303 CG LEU A 150 11.636 2.726 25.743 1.00 0.00 C ATOM 2304 CD1 LEU A 150 11.128 3.061 24.339 1.00 0.00 C ATOM 2305 CD2 LEU A 150 12.070 4.014 26.438 1.00 0.00 C ATOM 0 H LEU A 150 8.627 4.336 27.938 1.00 0.00 H new ATOM 0 HA LEU A 150 9.498 3.847 25.863 1.00 0.00 H new ATOM 0 HB2 LEU A 150 10.805 1.985 27.597 1.00 0.00 H new ATOM 0 HB3 LEU A 150 10.305 1.079 26.183 1.00 0.00 H new ATOM 0 HG LEU A 150 12.477 2.037 25.671 1.00 0.00 H new ATOM 0 HD11 LEU A 150 11.931 3.519 23.761 1.00 0.00 H new ATOM 0 HD12 LEU A 150 10.799 2.147 23.843 1.00 0.00 H new ATOM 0 HD13 LEU A 150 10.291 3.756 24.411 1.00 0.00 H new ATOM 0 HD21 LEU A 150 12.874 4.481 25.869 1.00 0.00 H new ATOM 0 HD22 LEU A 150 11.223 4.698 26.499 1.00 0.00 H new ATOM 0 HD23 LEU A 150 12.423 3.784 27.443 1.00 0.00 H new ATOM 2317 N SER A 151 7.721 2.623 24.586 1.00 0.00 N ATOM 2318 CA SER A 151 6.623 1.904 23.885 1.00 0.00 C ATOM 2319 C SER A 151 7.159 1.156 22.672 1.00 0.00 C ATOM 2320 O SER A 151 7.909 1.689 21.883 1.00 0.00 O ATOM 2321 CB SER A 151 5.567 2.903 23.420 1.00 0.00 C ATOM 2322 OG SER A 151 5.944 4.212 23.830 1.00 0.00 O ATOM 0 H SER A 151 8.084 3.447 24.106 1.00 0.00 H new ATOM 0 HA SER A 151 6.183 1.190 24.581 1.00 0.00 H new ATOM 0 HB2 SER A 151 5.466 2.864 22.335 1.00 0.00 H new ATOM 0 HB3 SER A 151 4.595 2.644 23.840 1.00 0.00 H new ATOM 0 HG SER A 151 5.268 4.856 23.531 1.00 0.00 H new ATOM 2328 N GLN A 152 6.738 -0.070 22.511 1.00 0.00 N ATOM 2329 CA GLN A 152 7.174 -0.884 21.345 1.00 0.00 C ATOM 2330 C GLN A 152 6.959 -0.085 20.062 1.00 0.00 C ATOM 2331 O GLN A 152 7.543 -0.369 19.042 1.00 0.00 O ATOM 2332 CB GLN A 152 6.324 -2.152 21.287 1.00 0.00 C ATOM 2333 CG GLN A 152 6.729 -3.003 20.082 1.00 0.00 C ATOM 2334 CD GLN A 152 7.225 -4.362 20.575 1.00 0.00 C ATOM 2335 OE1 GLN A 152 8.076 -4.406 21.566 1.00 0.00 O flip ATOM 2336 NE2 GLN A 152 6.828 -5.389 20.063 1.00 0.00 N flip ATOM 0 H GLN A 152 6.101 -0.547 23.149 1.00 0.00 H new ATOM 0 HA GLN A 152 8.229 -1.140 21.446 1.00 0.00 H new ATOM 0 HB2 GLN A 152 6.450 -2.725 22.205 1.00 0.00 H new ATOM 0 HB3 GLN A 152 5.269 -1.889 21.218 1.00 0.00 H new ATOM 0 HG2 GLN A 152 5.880 -3.133 19.411 1.00 0.00 H new ATOM 0 HG3 GLN A 152 7.511 -2.501 19.513 1.00 0.00 H new ATOM 0 HE21 GLN A 152 6.164 -5.350 19.290 1.00 0.00 H new ATOM 0 HE22 GLN A 152 7.159 -6.291 20.406 1.00 0.00 H new ATOM 2345 N ASP A 153 6.121 0.913 20.093 1.00 0.00 N ATOM 2346 CA ASP A 153 5.898 1.704 18.855 1.00 0.00 C ATOM 2347 C ASP A 153 7.241 2.253 18.398 1.00 0.00 C ATOM 2348 O ASP A 153 7.676 2.023 17.288 1.00 0.00 O ATOM 2349 CB ASP A 153 4.945 2.866 19.128 1.00 0.00 C ATOM 2350 CG ASP A 153 4.554 3.511 17.798 1.00 0.00 C ATOM 2351 OD1 ASP A 153 4.095 2.790 16.927 1.00 0.00 O ATOM 2352 OD2 ASP A 153 4.727 4.711 17.669 1.00 0.00 O ATOM 0 H ASP A 153 5.588 1.211 20.910 1.00 0.00 H new ATOM 0 HA ASP A 153 5.457 1.068 18.087 1.00 0.00 H new ATOM 0 HB2 ASP A 153 4.057 2.510 19.649 1.00 0.00 H new ATOM 0 HB3 ASP A 153 5.423 3.600 19.777 1.00 0.00 H new ATOM 2357 N ASP A 154 7.905 2.969 19.258 1.00 0.00 N ATOM 2358 CA ASP A 154 9.223 3.530 18.892 1.00 0.00 C ATOM 2359 C ASP A 154 10.235 2.390 18.747 1.00 0.00 C ATOM 2360 O ASP A 154 11.143 2.456 17.941 1.00 0.00 O ATOM 2361 CB ASP A 154 9.674 4.497 19.985 1.00 0.00 C ATOM 2362 CG ASP A 154 10.344 5.702 19.341 1.00 0.00 C ATOM 2363 OD1 ASP A 154 10.504 5.687 18.132 1.00 0.00 O ATOM 2364 OD2 ASP A 154 10.682 6.620 20.066 1.00 0.00 O ATOM 0 H ASP A 154 7.587 3.188 20.202 1.00 0.00 H new ATOM 0 HA ASP A 154 9.152 4.065 17.945 1.00 0.00 H new ATOM 0 HB2 ASP A 154 8.819 4.816 20.580 1.00 0.00 H new ATOM 0 HB3 ASP A 154 10.367 4.000 20.664 1.00 0.00 H new ATOM 2369 N ILE A 155 10.081 1.339 19.511 1.00 0.00 N ATOM 2370 CA ILE A 155 11.032 0.194 19.402 1.00 0.00 C ATOM 2371 C ILE A 155 10.807 -0.503 18.052 1.00 0.00 C ATOM 2372 O ILE A 155 11.732 -0.951 17.399 1.00 0.00 O ATOM 2373 CB ILE A 155 10.820 -0.795 20.576 1.00 0.00 C ATOM 2374 CG1 ILE A 155 9.913 -1.954 20.168 1.00 0.00 C ATOM 2375 CG2 ILE A 155 10.238 -0.069 21.789 1.00 0.00 C ATOM 2376 CD1 ILE A 155 10.749 -2.976 19.400 1.00 0.00 C ATOM 0 H ILE A 155 9.340 1.225 20.203 1.00 0.00 H new ATOM 0 HA ILE A 155 12.059 0.556 19.456 1.00 0.00 H new ATOM 0 HB ILE A 155 11.793 -1.206 20.845 1.00 0.00 H new ATOM 0 HG12 ILE A 155 9.467 -2.415 21.050 1.00 0.00 H new ATOM 0 HG13 ILE A 155 9.093 -1.593 19.548 1.00 0.00 H new ATOM 0 HG21 ILE A 155 10.096 -0.779 22.604 1.00 0.00 H new ATOM 0 HG22 ILE A 155 10.924 0.716 22.107 1.00 0.00 H new ATOM 0 HG23 ILE A 155 9.279 0.374 21.522 1.00 0.00 H new ATOM 0 HD11 ILE A 155 10.117 -3.812 19.100 1.00 0.00 H new ATOM 0 HD12 ILE A 155 11.174 -2.506 18.513 1.00 0.00 H new ATOM 0 HD13 ILE A 155 11.554 -3.341 20.038 1.00 0.00 H new ATOM 2388 N LYS A 156 9.577 -0.589 17.631 1.00 0.00 N ATOM 2389 CA LYS A 156 9.268 -1.244 16.326 1.00 0.00 C ATOM 2390 C LYS A 156 9.951 -0.474 15.198 1.00 0.00 C ATOM 2391 O LYS A 156 10.612 -1.044 14.353 1.00 0.00 O ATOM 2392 CB LYS A 156 7.754 -1.228 16.096 1.00 0.00 C ATOM 2393 CG LYS A 156 7.419 -2.061 14.860 1.00 0.00 C ATOM 2394 CD LYS A 156 7.056 -1.136 13.695 1.00 0.00 C ATOM 2395 CE LYS A 156 6.491 -1.979 12.551 1.00 0.00 C ATOM 2396 NZ LYS A 156 6.746 -1.297 11.256 1.00 0.00 N ATOM 0 H LYS A 156 8.766 -0.232 18.136 1.00 0.00 H new ATOM 0 HA LYS A 156 9.629 -2.273 16.342 1.00 0.00 H new ATOM 0 HB2 LYS A 156 7.238 -1.629 16.969 1.00 0.00 H new ATOM 0 HB3 LYS A 156 7.406 -0.204 15.963 1.00 0.00 H new ATOM 0 HG2 LYS A 156 8.270 -2.685 14.589 1.00 0.00 H new ATOM 0 HG3 LYS A 156 6.588 -2.732 15.077 1.00 0.00 H new ATOM 0 HD2 LYS A 156 6.323 -0.396 14.016 1.00 0.00 H new ATOM 0 HD3 LYS A 156 7.937 -0.588 13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 156 6.953 -2.966 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 156 5.420 -2.128 12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 6.361 -1.872 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 6.285 -0.365 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 7.770 -1.177 11.123 1.00 0.00 H new ATOM 2410 N GLY A 157 9.789 0.817 15.177 1.00 0.00 N ATOM 2411 CA GLY A 157 10.417 1.632 14.104 1.00 0.00 C ATOM 2412 C GLY A 157 11.941 1.628 14.264 1.00 0.00 C ATOM 2413 O GLY A 157 12.669 1.566 13.296 1.00 0.00 O ATOM 0 H GLY A 157 9.246 1.345 15.860 1.00 0.00 H new ATOM 0 HA2 GLY A 157 10.145 1.233 13.127 1.00 0.00 H new ATOM 0 HA3 GLY A 157 10.042 2.654 14.146 1.00 0.00 H new ATOM 2417 N ILE A 158 12.438 1.708 15.475 1.00 0.00 N ATOM 2418 CA ILE A 158 13.921 1.728 15.658 1.00 0.00 C ATOM 2419 C ILE A 158 14.529 0.387 15.232 1.00 0.00 C ATOM 2420 O ILE A 158 15.717 0.286 14.993 1.00 0.00 O ATOM 2421 CB ILE A 158 14.269 2.022 17.127 1.00 0.00 C ATOM 2422 CG1 ILE A 158 15.674 2.634 17.183 1.00 0.00 C ATOM 2423 CG2 ILE A 158 14.238 0.732 17.960 1.00 0.00 C ATOM 2424 CD1 ILE A 158 15.581 4.145 16.975 1.00 0.00 C ATOM 0 H ILE A 158 11.889 1.760 16.333 1.00 0.00 H new ATOM 0 HA ILE A 158 14.339 2.516 15.031 1.00 0.00 H new ATOM 0 HB ILE A 158 13.535 2.714 17.539 1.00 0.00 H new ATOM 0 HG12 ILE A 158 16.139 2.417 18.145 1.00 0.00 H new ATOM 0 HG13 ILE A 158 16.307 2.189 16.415 1.00 0.00 H new ATOM 0 HG21 ILE A 158 14.487 0.962 18.996 1.00 0.00 H new ATOM 0 HG22 ILE A 158 13.241 0.294 17.915 1.00 0.00 H new ATOM 0 HG23 ILE A 158 14.964 0.024 17.561 1.00 0.00 H new ATOM 0 HD11 ILE A 158 16.580 4.580 17.015 1.00 0.00 H new ATOM 0 HD12 ILE A 158 15.134 4.352 16.003 1.00 0.00 H new ATOM 0 HD13 ILE A 158 14.963 4.583 17.759 1.00 0.00 H new ATOM 2436 N GLN A 159 13.733 -0.644 15.130 1.00 0.00 N ATOM 2437 CA GLN A 159 14.291 -1.962 14.711 1.00 0.00 C ATOM 2438 C GLN A 159 14.277 -2.054 13.186 1.00 0.00 C ATOM 2439 O GLN A 159 15.260 -2.407 12.566 1.00 0.00 O ATOM 2440 CB GLN A 159 13.442 -3.101 15.278 1.00 0.00 C ATOM 2441 CG GLN A 159 13.798 -3.328 16.747 1.00 0.00 C ATOM 2442 CD GLN A 159 13.112 -4.603 17.252 1.00 0.00 C ATOM 2443 OE1 GLN A 159 12.283 -5.176 16.574 1.00 0.00 O ATOM 2444 NE2 GLN A 159 13.424 -5.070 18.426 1.00 0.00 N ATOM 0 H GLN A 159 12.730 -0.632 15.317 1.00 0.00 H new ATOM 0 HA GLN A 159 15.310 -2.048 15.087 1.00 0.00 H new ATOM 0 HB2 GLN A 159 12.383 -2.860 15.184 1.00 0.00 H new ATOM 0 HB3 GLN A 159 13.613 -4.014 14.707 1.00 0.00 H new ATOM 0 HG2 GLN A 159 14.879 -3.415 16.860 1.00 0.00 H new ATOM 0 HG3 GLN A 159 13.483 -2.472 17.344 1.00 0.00 H new ATOM 0 HE21 GLN A 159 14.120 -4.591 18.997 1.00 0.00 H new ATOM 0 HE22 GLN A 159 12.973 -5.916 18.775 1.00 0.00 H new ATOM 2453 N GLU A 160 13.163 -1.742 12.578 1.00 0.00 N ATOM 2454 CA GLU A 160 13.076 -1.812 11.093 1.00 0.00 C ATOM 2455 C GLU A 160 13.904 -0.674 10.483 1.00 0.00 C ATOM 2456 O GLU A 160 14.191 -0.669 9.303 1.00 0.00 O ATOM 2457 CB GLU A 160 11.609 -1.683 10.661 1.00 0.00 C ATOM 2458 CG GLU A 160 11.043 -3.065 10.308 1.00 0.00 C ATOM 2459 CD GLU A 160 10.430 -3.032 8.905 1.00 0.00 C ATOM 2460 OE1 GLU A 160 9.320 -2.542 8.779 1.00 0.00 O ATOM 2461 OE2 GLU A 160 11.079 -3.504 7.982 1.00 0.00 O ATOM 0 H GLU A 160 12.309 -1.441 13.048 1.00 0.00 H new ATOM 0 HA GLU A 160 13.468 -2.768 10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 160 11.023 -1.235 11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 160 11.532 -1.018 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 160 11.834 -3.814 10.352 1.00 0.00 H new ATOM 0 HG3 GLU A 160 10.288 -3.356 11.038 1.00 0.00 H new ATOM 2468 N LEU A 161 14.294 0.287 11.282 1.00 0.00 N ATOM 2469 CA LEU A 161 15.106 1.424 10.747 1.00 0.00 C ATOM 2470 C LEU A 161 16.583 1.225 11.110 1.00 0.00 C ATOM 2471 O LEU A 161 17.464 1.457 10.307 1.00 0.00 O ATOM 2472 CB LEU A 161 14.625 2.739 11.372 1.00 0.00 C ATOM 2473 CG LEU A 161 14.599 3.841 10.310 1.00 0.00 C ATOM 2474 CD1 LEU A 161 15.950 3.919 9.589 1.00 0.00 C ATOM 2475 CD2 LEU A 161 13.504 3.531 9.294 1.00 0.00 C ATOM 0 H LEU A 161 14.086 0.334 12.279 1.00 0.00 H new ATOM 0 HA LEU A 161 14.991 1.459 9.664 1.00 0.00 H new ATOM 0 HB2 LEU A 161 13.630 2.607 11.797 1.00 0.00 H new ATOM 0 HB3 LEU A 161 15.285 3.026 12.190 1.00 0.00 H new ATOM 0 HG LEU A 161 14.401 4.797 10.795 1.00 0.00 H new ATOM 0 HD11 LEU A 161 15.916 4.707 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 161 16.736 4.140 10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 161 16.160 2.965 9.106 1.00 0.00 H new ATOM 0 HD21 LEU A 161 13.480 4.313 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 161 13.708 2.571 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 161 12.540 3.488 9.800 1.00 0.00 H new ATOM 2487 N TYR A 162 16.869 0.806 12.315 1.00 0.00 N ATOM 2488 CA TYR A 162 18.300 0.611 12.706 1.00 0.00 C ATOM 2489 C TYR A 162 18.629 -0.884 12.793 1.00 0.00 C ATOM 2490 O TYR A 162 19.779 -1.267 12.876 1.00 0.00 O ATOM 2491 CB TYR A 162 18.569 1.239 14.075 1.00 0.00 C ATOM 2492 CG TYR A 162 18.402 2.741 14.024 1.00 0.00 C ATOM 2493 CD1 TYR A 162 18.410 3.422 12.799 1.00 0.00 C ATOM 2494 CD2 TYR A 162 18.234 3.455 15.218 1.00 0.00 C ATOM 2495 CE1 TYR A 162 18.248 4.811 12.775 1.00 0.00 C ATOM 2496 CE2 TYR A 162 18.073 4.842 15.190 1.00 0.00 C ATOM 2497 CZ TYR A 162 18.078 5.519 13.969 1.00 0.00 C ATOM 2498 OH TYR A 162 17.926 6.884 13.944 1.00 0.00 O ATOM 0 H TYR A 162 16.184 0.592 13.039 1.00 0.00 H new ATOM 0 HA TYR A 162 18.922 1.088 11.948 1.00 0.00 H new ATOM 0 HB2 TYR A 162 17.886 0.818 14.813 1.00 0.00 H new ATOM 0 HB3 TYR A 162 19.580 0.993 14.400 1.00 0.00 H new ATOM 0 HD1 TYR A 162 18.541 2.876 11.876 1.00 0.00 H new ATOM 0 HD2 TYR A 162 18.229 2.931 16.162 1.00 0.00 H new ATOM 0 HE1 TYR A 162 18.254 5.338 11.832 1.00 0.00 H new ATOM 0 HE2 TYR A 162 17.945 5.390 16.112 1.00 0.00 H new ATOM 0 HH TYR A 162 18.804 7.309 13.847 1.00 0.00 H new ATOM 2508 N GLY A 163 17.640 -1.732 12.793 1.00 0.00 N ATOM 2509 CA GLY A 163 17.928 -3.192 12.893 1.00 0.00 C ATOM 2510 C GLY A 163 19.043 -3.564 11.913 1.00 0.00 C ATOM 2511 O GLY A 163 18.775 -3.597 10.723 1.00 0.00 O ATOM 2512 OXT GLY A 163 20.148 -3.811 12.371 1.00 0.00 O ATOM 0 H GLY A 163 16.653 -1.483 12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 163 18.225 -3.445 13.911 1.00 0.00 H new ATOM 0 HA3 GLY A 163 17.029 -3.766 12.671 1.00 0.00 H new