USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1004 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 GLN : amide:sc= 1.49 K(o=2.9,f=-7.5!) USER MOD Set 1.2: A 120 THR OG1 : rot 79:sc= 1.39 USER MOD Set 2.1: A 66 LYS NZ :NH3+ 173:sc= 1.42 (180deg=1.38) USER MOD Set 2.2: A 101 TYR OH : rot 150:sc= 0.0375 USER MOD Set 2.3: A 114 ASN : amide:sc= 0.264 K(o=1.7,f=0.23!) USER MOD Set 3.1: A 51 SER OG : rot -140:sc= -0.5 USER MOD Set 3.2: A 88 MET CE :methyl -179:sc= -1.15 (180deg=-1.15) USER MOD Set 4.1: A 36 CYS SG : rot -140:sc= -0.0282 USER MOD Set 4.2: A 80 SER OG : rot -12:sc= 1.31 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 80:sc= 1.38 USER MOD Single : A 15 MET CE :methyl -164:sc= -2.52 (180deg=-4.08) USER MOD Single : A 20 THR OG1 : rot -1:sc= 0.836 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 89:sc= 1.21 USER MOD Single : A 42 SER OG : rot 90:sc= 1.23 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.458 F(o=-0.98,f=-0.46) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -97:sc= 1.3 (180deg=-0.312) USER MOD Single : A 60 ASN :FLIP amide:sc= -2.21 F(o=-3.9!,f=-2.2) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 120:sc= 0.112 USER MOD Single : A 68 LYS NZ :NH3+ 155:sc= 0.0133 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 30:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.03) USER MOD Single : A 82 SER OG : rot 180:sc= 0.00175 USER MOD Single : A 89 GLN : amide:sc= -0.498 K(o=-0.5,f=-1.6!) USER MOD Single : A 91 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.19) USER MOD Single : A 92 SER OG : rot -78:sc= 1.11 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.27) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.27) USER MOD Single : A 124 THR OG1 : rot 72:sc= 1.2 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -30:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 10 9.680 15.140 3.289 1.00 0.00 N ATOM 93 CA TYR A 10 8.247 15.328 3.140 1.00 0.00 C ATOM 94 C TYR A 10 7.785 14.971 1.726 1.00 0.00 C ATOM 95 O TYR A 10 6.795 14.256 1.562 1.00 0.00 O ATOM 96 CB TYR A 10 7.924 16.790 3.448 1.00 0.00 C ATOM 97 CG TYR A 10 6.474 17.157 3.253 1.00 0.00 C ATOM 98 CD1 TYR A 10 5.560 16.955 4.298 1.00 0.00 C ATOM 99 CD2 TYR A 10 6.046 17.695 2.027 1.00 0.00 C ATOM 100 CE1 TYR A 10 4.212 17.305 4.132 1.00 0.00 C ATOM 101 CE2 TYR A 10 4.696 18.047 1.852 1.00 0.00 C ATOM 102 CZ TYR A 10 3.772 17.841 2.903 1.00 0.00 C ATOM 103 OH TYR A 10 2.475 18.227 2.781 1.00 0.00 O ATOM 0 HA TYR A 10 7.721 14.668 3.830 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.206 17.003 4.479 1.00 0.00 H new ATOM 0 HB3 TYR A 10 8.537 17.428 2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.895 16.529 5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.752 17.838 1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.512 17.165 4.943 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.365 18.474 0.917 1.00 0.00 H new ATOM 0 HH TYR A 10 2.321 18.577 1.879 1.00 0.00 H new ATOM 113 N TRP A 11 8.481 15.465 0.691 1.00 0.00 N ATOM 114 CA TRP A 11 8.023 15.352 -0.688 1.00 0.00 C ATOM 115 C TRP A 11 7.797 13.898 -1.102 1.00 0.00 C ATOM 116 O TRP A 11 6.833 13.594 -1.799 1.00 0.00 O ATOM 117 CB TRP A 11 8.992 16.059 -1.637 1.00 0.00 C ATOM 118 CG TRP A 11 8.325 16.541 -2.878 1.00 0.00 C ATOM 119 CD1 TRP A 11 7.832 17.787 -3.042 1.00 0.00 C ATOM 120 CD2 TRP A 11 7.980 15.798 -4.082 1.00 0.00 C ATOM 121 NE1 TRP A 11 7.243 17.881 -4.288 1.00 0.00 N ATOM 122 CE2 TRP A 11 7.297 16.681 -4.963 1.00 0.00 C ATOM 123 CE3 TRP A 11 8.141 14.465 -4.509 1.00 0.00 C ATOM 124 CZ2 TRP A 11 6.795 16.260 -6.202 1.00 0.00 C ATOM 125 CZ3 TRP A 11 7.644 14.032 -5.752 1.00 0.00 C ATOM 126 CH2 TRP A 11 6.963 14.923 -6.595 1.00 0.00 C ATOM 0 H TRP A 11 9.372 15.951 0.793 1.00 0.00 H new ATOM 0 HA TRP A 11 7.055 15.850 -0.754 1.00 0.00 H new ATOM 0 HB2 TRP A 11 9.448 16.904 -1.122 1.00 0.00 H new ATOM 0 HB3 TRP A 11 9.798 15.375 -1.904 1.00 0.00 H new ATOM 0 HD1 TRP A 11 7.889 18.583 -2.315 1.00 0.00 H new ATOM 0 HE1 TRP A 11 6.821 18.731 -4.661 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.656 13.762 -3.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.284 16.958 -6.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 7.788 13.007 -6.059 1.00 0.00 H new ATOM 0 HH2 TRP A 11 6.570 14.582 -7.541 1.00 0.00 H new ATOM 137 N ARG A 12 8.621 12.981 -0.596 1.00 0.00 N ATOM 138 CA ARG A 12 8.495 11.545 -0.806 1.00 0.00 C ATOM 139 C ARG A 12 7.095 11.022 -0.464 1.00 0.00 C ATOM 140 O ARG A 12 6.622 10.102 -1.133 1.00 0.00 O ATOM 141 CB ARG A 12 9.592 10.860 0.026 1.00 0.00 C ATOM 142 CG ARG A 12 10.219 9.636 -0.665 1.00 0.00 C ATOM 143 CD ARG A 12 11.711 9.839 -0.931 1.00 0.00 C ATOM 144 NE ARG A 12 12.437 10.067 0.325 1.00 0.00 N ATOM 145 CZ ARG A 12 13.532 10.813 0.487 1.00 0.00 C ATOM 146 NH1 ARG A 12 14.116 11.407 -0.549 1.00 0.00 N ATOM 147 NH2 ARG A 12 14.027 10.960 1.704 1.00 0.00 N ATOM 0 H ARG A 12 9.419 13.228 -0.011 1.00 0.00 H new ATOM 0 HA ARG A 12 8.627 11.313 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 12 10.376 11.585 0.244 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.170 10.550 0.982 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.077 8.754 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.704 9.446 -1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.117 8.964 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.854 10.689 -1.599 1.00 0.00 H new ATOM 0 HE ARG A 12 12.067 9.609 1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.728 11.296 -1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.952 11.974 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.573 10.507 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.863 11.526 1.850 1.00 0.00 H new ATOM 161 N SER A 13 6.418 11.594 0.537 1.00 0.00 N ATOM 162 CA SER A 13 5.077 11.175 0.916 1.00 0.00 C ATOM 163 C SER A 13 4.078 11.516 -0.180 1.00 0.00 C ATOM 164 O SER A 13 3.138 10.764 -0.424 1.00 0.00 O ATOM 165 CB SER A 13 4.674 11.824 2.246 1.00 0.00 C ATOM 166 OG SER A 13 3.585 11.104 2.779 1.00 0.00 O ATOM 0 H SER A 13 6.788 12.358 1.102 1.00 0.00 H new ATOM 0 HA SER A 13 5.074 10.093 1.047 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.513 11.815 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.400 12.868 2.091 1.00 0.00 H new ATOM 0 HG SER A 13 3.914 10.293 3.220 1.00 0.00 H new ATOM 172 N ARG A 14 4.274 12.642 -0.866 1.00 0.00 N ATOM 173 CA ARG A 14 3.331 13.166 -1.846 1.00 0.00 C ATOM 174 C ARG A 14 3.078 12.194 -2.981 1.00 0.00 C ATOM 175 O ARG A 14 1.989 12.235 -3.555 1.00 0.00 O ATOM 176 CB ARG A 14 3.843 14.497 -2.409 1.00 0.00 C ATOM 177 CG ARG A 14 4.158 15.545 -1.330 1.00 0.00 C ATOM 178 CD ARG A 14 2.944 15.883 -0.457 1.00 0.00 C ATOM 179 NE ARG A 14 1.827 16.424 -1.253 1.00 0.00 N ATOM 180 CZ ARG A 14 1.725 17.635 -1.811 1.00 0.00 C ATOM 181 NH1 ARG A 14 2.683 18.540 -1.652 1.00 0.00 N ATOM 182 NH2 ARG A 14 0.662 17.943 -2.539 1.00 0.00 N ATOM 0 H ARG A 14 5.105 13.222 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 14 2.384 13.320 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.743 14.311 -2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.096 14.904 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 14 4.964 15.176 -0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 14 4.520 16.455 -1.809 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.614 14.987 0.069 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.234 16.609 0.302 1.00 0.00 H new ATOM 0 HE ARG A 14 1.035 15.798 -1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.510 18.316 -1.099 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.592 19.460 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.080 17.256 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.585 18.867 -2.964 1.00 0.00 H new ATOM 196 N MET A 15 4.060 11.346 -3.297 1.00 0.00 N ATOM 197 CA MET A 15 3.926 10.343 -4.341 1.00 0.00 C ATOM 198 C MET A 15 2.857 9.340 -3.932 1.00 0.00 C ATOM 199 O MET A 15 1.971 9.046 -4.734 1.00 0.00 O ATOM 200 CB MET A 15 5.262 9.640 -4.615 1.00 0.00 C ATOM 201 CG MET A 15 6.457 10.601 -4.724 1.00 0.00 C ATOM 202 SD MET A 15 7.724 10.165 -5.940 1.00 0.00 S ATOM 203 CE MET A 15 7.873 8.386 -5.659 1.00 0.00 C ATOM 0 H MET A 15 4.968 11.340 -2.833 1.00 0.00 H new ATOM 0 HA MET A 15 3.627 10.833 -5.268 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.455 8.923 -3.817 1.00 0.00 H new ATOM 0 HB3 MET A 15 5.179 9.071 -5.541 1.00 0.00 H new ATOM 0 HG2 MET A 15 6.077 11.594 -4.966 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.931 10.671 -3.745 1.00 0.00 H new ATOM 0 HE1 MET A 15 8.793 8.021 -6.115 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.896 8.188 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 15 7.020 7.875 -6.105 1.00 0.00 H new ATOM 213 N ILE A 16 2.943 8.840 -2.694 1.00 0.00 N ATOM 214 CA ILE A 16 1.959 7.956 -2.095 1.00 0.00 C ATOM 215 C ILE A 16 0.626 8.707 -2.064 1.00 0.00 C ATOM 216 O ILE A 16 -0.359 8.241 -2.632 1.00 0.00 O ATOM 217 CB ILE A 16 2.391 7.498 -0.672 1.00 0.00 C ATOM 218 CG1 ILE A 16 3.854 7.003 -0.527 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.420 6.405 -0.186 1.00 0.00 C ATOM 220 CD1 ILE A 16 4.334 6.091 -1.644 1.00 0.00 C ATOM 0 H ILE A 16 3.723 9.050 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 16 1.864 7.045 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 16 2.348 8.395 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.512 7.870 -0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.951 6.474 0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.713 6.076 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.407 6.807 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.452 5.558 -0.872 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.367 5.797 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.705 5.202 -1.683 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.275 6.619 -2.596 1.00 0.00 H new ATOM 232 N ASP A 17 0.613 9.876 -1.417 1.00 0.00 N ATOM 233 CA ASP A 17 -0.582 10.649 -1.098 1.00 0.00 C ATOM 234 C ASP A 17 -1.425 10.843 -2.351 1.00 0.00 C ATOM 235 O ASP A 17 -2.610 10.508 -2.356 1.00 0.00 O ATOM 236 CB ASP A 17 -0.211 11.999 -0.447 1.00 0.00 C ATOM 237 CG ASP A 17 -0.793 12.082 0.959 1.00 0.00 C ATOM 238 OD1 ASP A 17 -2.000 12.360 1.132 1.00 0.00 O ATOM 239 OD2 ASP A 17 -0.082 11.740 1.928 1.00 0.00 O ATOM 0 H ASP A 17 1.469 10.324 -1.090 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.176 10.095 -0.371 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.873 12.106 -0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.590 12.821 -1.055 1.00 0.00 H new ATOM 244 N ALA A 18 -0.784 11.322 -3.422 1.00 0.00 N ATOM 245 CA ALA A 18 -1.385 11.596 -4.714 1.00 0.00 C ATOM 246 C ALA A 18 -2.156 10.387 -5.237 1.00 0.00 C ATOM 247 O ALA A 18 -3.346 10.511 -5.536 1.00 0.00 O ATOM 248 CB ALA A 18 -0.297 12.037 -5.701 1.00 0.00 C ATOM 0 H ALA A 18 0.213 11.536 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.107 12.405 -4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.748 12.243 -6.672 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.189 12.939 -5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.443 11.243 -5.806 1.00 0.00 H new ATOM 254 N VAL A 19 -1.507 9.229 -5.391 1.00 0.00 N ATOM 255 CA VAL A 19 -2.167 8.046 -5.947 1.00 0.00 C ATOM 256 C VAL A 19 -3.197 7.444 -4.983 1.00 0.00 C ATOM 257 O VAL A 19 -3.976 6.579 -5.388 1.00 0.00 O ATOM 258 CB VAL A 19 -1.134 7.002 -6.425 1.00 0.00 C ATOM 259 CG1 VAL A 19 -0.251 7.584 -7.531 1.00 0.00 C ATOM 260 CG2 VAL A 19 -0.241 6.433 -5.311 1.00 0.00 C ATOM 0 H VAL A 19 -0.529 9.087 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.728 8.372 -6.822 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.728 6.170 -6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.470 6.833 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -0.873 7.877 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.280 8.457 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.454 5.708 -5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.320 7.243 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.862 5.943 -4.561 1.00 0.00 H new ATOM 270 N THR A 20 -3.231 7.870 -3.720 1.00 0.00 N ATOM 271 CA THR A 20 -4.200 7.407 -2.732 1.00 0.00 C ATOM 272 C THR A 20 -5.355 8.400 -2.539 1.00 0.00 C ATOM 273 O THR A 20 -6.169 8.207 -1.639 1.00 0.00 O ATOM 274 CB THR A 20 -3.482 7.013 -1.434 1.00 0.00 C ATOM 275 OG1 THR A 20 -2.741 8.077 -0.870 1.00 0.00 O ATOM 276 CG2 THR A 20 -2.535 5.825 -1.669 1.00 0.00 C ATOM 0 H THR A 20 -2.574 8.558 -3.351 1.00 0.00 H new ATOM 0 HA THR A 20 -4.684 6.505 -3.107 1.00 0.00 H new ATOM 0 HB THR A 20 -4.269 6.736 -0.732 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.822 8.870 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.038 5.565 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.107 4.969 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 20 -1.787 6.098 -2.414 1.00 0.00 H new ATOM 284 N SER A 21 -5.426 9.443 -3.372 1.00 0.00 N ATOM 285 CA SER A 21 -6.427 10.500 -3.324 1.00 0.00 C ATOM 286 C SER A 21 -7.813 9.864 -3.397 1.00 0.00 C ATOM 287 O SER A 21 -8.122 9.202 -4.389 1.00 0.00 O ATOM 288 CB SER A 21 -6.174 11.455 -4.499 1.00 0.00 C ATOM 289 OG SER A 21 -7.102 12.518 -4.547 1.00 0.00 O ATOM 0 H SER A 21 -4.755 9.574 -4.129 1.00 0.00 H new ATOM 0 HA SER A 21 -6.366 11.070 -2.397 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.166 11.862 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.220 10.895 -5.433 1.00 0.00 H new ATOM 0 HG SER A 21 -6.897 13.097 -5.310 1.00 0.00 H new ATOM 295 N ASP A 22 -8.608 10.007 -2.338 1.00 0.00 N ATOM 296 CA ASP A 22 -9.928 9.410 -2.235 1.00 0.00 C ATOM 297 C ASP A 22 -10.847 10.061 -3.274 1.00 0.00 C ATOM 298 O ASP A 22 -11.221 11.231 -3.158 1.00 0.00 O ATOM 299 CB ASP A 22 -10.482 9.483 -0.798 1.00 0.00 C ATOM 300 CG ASP A 22 -11.056 10.840 -0.404 1.00 0.00 C ATOM 301 OD1 ASP A 22 -10.256 11.780 -0.164 1.00 0.00 O ATOM 302 OD2 ASP A 22 -12.304 10.954 -0.358 1.00 0.00 O ATOM 0 H ASP A 22 -8.344 10.551 -1.517 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.867 8.344 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.260 8.728 -0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.684 9.226 -0.102 1.00 0.00 H new ATOM 307 N GLU A 23 -11.149 9.328 -4.343 1.00 0.00 N ATOM 308 CA GLU A 23 -12.041 9.738 -5.415 1.00 0.00 C ATOM 309 C GLU A 23 -12.656 8.483 -6.017 1.00 0.00 C ATOM 310 O GLU A 23 -12.000 7.439 -6.053 1.00 0.00 O ATOM 311 CB GLU A 23 -11.269 10.437 -6.543 1.00 0.00 C ATOM 312 CG GLU A 23 -10.609 11.757 -6.143 1.00 0.00 C ATOM 313 CD GLU A 23 -10.339 12.583 -7.389 1.00 0.00 C ATOM 314 OE1 GLU A 23 -11.324 13.135 -7.939 1.00 0.00 O ATOM 315 OE2 GLU A 23 -9.196 12.598 -7.899 1.00 0.00 O ATOM 0 H GLU A 23 -10.761 8.396 -4.488 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.786 10.419 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.500 9.759 -6.913 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.953 10.625 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.256 12.308 -5.461 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.677 11.564 -5.612 1.00 0.00 H new ATOM 322 N ASP A 24 -13.835 8.595 -6.624 1.00 0.00 N ATOM 323 CA ASP A 24 -14.420 7.556 -7.477 1.00 0.00 C ATOM 324 C ASP A 24 -13.697 7.541 -8.837 1.00 0.00 C ATOM 325 O ASP A 24 -14.318 7.598 -9.903 1.00 0.00 O ATOM 326 CB ASP A 24 -15.932 7.762 -7.649 1.00 0.00 C ATOM 327 CG ASP A 24 -16.739 7.481 -6.389 1.00 0.00 C ATOM 328 OD1 ASP A 24 -16.792 8.382 -5.516 1.00 0.00 O ATOM 329 OD2 ASP A 24 -17.379 6.406 -6.335 1.00 0.00 O ATOM 0 H ASP A 24 -14.423 9.424 -6.537 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.285 6.587 -6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.115 8.789 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.289 7.114 -8.449 1.00 0.00 H new ATOM 334 N LYS A 25 -12.364 7.484 -8.821 1.00 0.00 N ATOM 335 CA LYS A 25 -11.482 7.358 -9.974 1.00 0.00 C ATOM 336 C LYS A 25 -10.303 6.470 -9.604 1.00 0.00 C ATOM 337 O LYS A 25 -10.138 6.096 -8.440 1.00 0.00 O ATOM 338 CB LYS A 25 -11.015 8.751 -10.452 1.00 0.00 C ATOM 339 CG LYS A 25 -11.703 9.156 -11.760 1.00 0.00 C ATOM 340 CD LYS A 25 -11.207 8.351 -12.977 1.00 0.00 C ATOM 341 CE LYS A 25 -9.978 8.986 -13.634 1.00 0.00 C ATOM 342 NZ LYS A 25 -10.359 10.114 -14.512 1.00 0.00 N ATOM 0 H LYS A 25 -11.843 7.528 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 25 -12.020 6.896 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.230 9.492 -9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.934 8.744 -10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.779 9.019 -11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.533 10.217 -11.940 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.964 7.336 -12.663 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.010 8.275 -13.711 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.292 9.338 -12.863 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.445 8.234 -14.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.505 10.523 -14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.994 9.772 -15.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.846 10.842 -13.951 1.00 0.00 H new ATOM 356 N VAL A 26 -9.493 6.112 -10.596 1.00 0.00 N ATOM 357 CA VAL A 26 -8.385 5.186 -10.456 1.00 0.00 C ATOM 358 C VAL A 26 -7.155 5.881 -11.038 1.00 0.00 C ATOM 359 O VAL A 26 -7.207 6.430 -12.144 1.00 0.00 O ATOM 360 CB VAL A 26 -8.733 3.826 -11.107 1.00 0.00 C ATOM 361 CG1 VAL A 26 -9.991 3.224 -10.457 1.00 0.00 C ATOM 362 CG2 VAL A 26 -8.977 3.899 -12.622 1.00 0.00 C ATOM 0 H VAL A 26 -9.596 6.471 -11.545 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.172 4.938 -9.416 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.856 3.201 -10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.221 2.268 -10.927 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.813 3.072 -9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.831 3.906 -10.590 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.215 2.905 -13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.809 4.573 -12.824 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.080 4.271 -13.117 1.00 0.00 H new ATOM 372 N ALA A 27 -6.072 5.925 -10.263 1.00 0.00 N ATOM 373 CA ALA A 27 -4.788 6.456 -10.694 1.00 0.00 C ATOM 374 C ALA A 27 -4.197 5.586 -11.819 1.00 0.00 C ATOM 375 O ALA A 27 -4.517 4.390 -11.898 1.00 0.00 O ATOM 376 CB ALA A 27 -3.854 6.485 -9.482 1.00 0.00 C ATOM 0 H ALA A 27 -6.067 5.585 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.911 7.464 -11.090 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.883 6.880 -9.780 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.282 7.121 -8.708 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.731 5.474 -9.094 1.00 0.00 H new ATOM 382 N PRO A 28 -3.319 6.139 -12.673 1.00 0.00 N ATOM 383 CA PRO A 28 -2.628 5.368 -13.696 1.00 0.00 C ATOM 384 C PRO A 28 -1.543 4.497 -13.071 1.00 0.00 C ATOM 385 O PRO A 28 -1.045 4.797 -11.985 1.00 0.00 O ATOM 386 CB PRO A 28 -1.986 6.405 -14.613 1.00 0.00 C ATOM 387 CG PRO A 28 -1.684 7.551 -13.657 1.00 0.00 C ATOM 388 CD PRO A 28 -2.858 7.519 -12.687 1.00 0.00 C ATOM 0 HA PRO A 28 -3.311 4.705 -14.227 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.082 6.023 -15.087 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.660 6.711 -15.413 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.734 7.406 -13.143 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.621 8.505 -14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.552 7.840 -11.691 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.651 8.194 -13.010 1.00 0.00 H new ATOM 396 N VAL A 29 -1.117 3.461 -13.794 1.00 0.00 N ATOM 397 CA VAL A 29 -0.064 2.575 -13.325 1.00 0.00 C ATOM 398 C VAL A 29 1.263 3.330 -13.198 1.00 0.00 C ATOM 399 O VAL A 29 1.978 3.092 -12.226 1.00 0.00 O ATOM 400 CB VAL A 29 0.053 1.333 -14.233 1.00 0.00 C ATOM 401 CG1 VAL A 29 1.114 0.366 -13.696 1.00 0.00 C ATOM 402 CG2 VAL A 29 -1.288 0.578 -14.318 1.00 0.00 C ATOM 0 H VAL A 29 -1.491 3.218 -14.711 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.326 2.218 -12.329 1.00 0.00 H new ATOM 0 HB VAL A 29 0.337 1.687 -15.224 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.180 -0.502 -14.351 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.080 0.869 -13.662 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.837 0.043 -12.692 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.175 -0.292 -14.964 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.587 0.253 -13.321 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.052 1.238 -14.729 1.00 0.00 H new ATOM 412 N TYR A 30 1.584 4.255 -14.114 1.00 0.00 N ATOM 413 CA TYR A 30 2.910 4.881 -14.097 1.00 0.00 C ATOM 414 C TYR A 30 3.147 5.685 -12.815 1.00 0.00 C ATOM 415 O TYR A 30 4.279 5.795 -12.350 1.00 0.00 O ATOM 416 CB TYR A 30 3.151 5.751 -15.334 1.00 0.00 C ATOM 417 CG TYR A 30 2.326 7.025 -15.418 1.00 0.00 C ATOM 418 CD1 TYR A 30 2.772 8.215 -14.806 1.00 0.00 C ATOM 419 CD2 TYR A 30 1.136 7.032 -16.163 1.00 0.00 C ATOM 420 CE1 TYR A 30 2.027 9.404 -14.940 1.00 0.00 C ATOM 421 CE2 TYR A 30 0.381 8.208 -16.288 1.00 0.00 C ATOM 422 CZ TYR A 30 0.815 9.399 -15.667 1.00 0.00 C ATOM 423 OH TYR A 30 0.059 10.529 -15.766 1.00 0.00 O ATOM 0 H TYR A 30 0.962 4.578 -14.855 1.00 0.00 H new ATOM 0 HA TYR A 30 3.634 4.066 -14.119 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.206 6.021 -15.365 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.950 5.151 -16.222 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.687 8.215 -14.233 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.799 6.125 -16.644 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.382 10.318 -14.488 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.535 8.202 -16.861 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.739 10.343 -16.303 1.00 0.00 H new ATOM 433 N LYS A 31 2.089 6.254 -12.226 1.00 0.00 N ATOM 434 CA LYS A 31 2.230 6.983 -10.974 1.00 0.00 C ATOM 435 C LYS A 31 2.415 6.042 -9.786 1.00 0.00 C ATOM 436 O LYS A 31 2.781 6.529 -8.725 1.00 0.00 O ATOM 437 CB LYS A 31 1.039 7.918 -10.733 1.00 0.00 C ATOM 438 CG LYS A 31 0.987 9.085 -11.726 1.00 0.00 C ATOM 439 CD LYS A 31 0.053 10.178 -11.207 1.00 0.00 C ATOM 440 CE LYS A 31 0.140 11.413 -12.106 1.00 0.00 C ATOM 441 NZ LYS A 31 -0.363 12.616 -11.411 1.00 0.00 N ATOM 0 H LYS A 31 1.139 6.221 -12.596 1.00 0.00 H new ATOM 0 HA LYS A 31 3.131 7.590 -11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.114 7.346 -10.804 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.093 8.313 -9.718 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.988 9.491 -11.874 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.640 8.731 -12.697 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.972 9.809 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.323 10.443 -10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.174 11.572 -12.411 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.438 11.246 -13.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.292 13.438 -12.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.357 12.471 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.206 12.787 -10.557 1.00 0.00 H new ATOM 455 N LEU A 32 2.121 4.743 -9.910 1.00 0.00 N ATOM 456 CA LEU A 32 2.346 3.762 -8.858 1.00 0.00 C ATOM 457 C LEU A 32 3.766 3.215 -8.953 1.00 0.00 C ATOM 458 O LEU A 32 4.400 3.025 -7.914 1.00 0.00 O ATOM 459 CB LEU A 32 1.368 2.578 -8.968 1.00 0.00 C ATOM 460 CG LEU A 32 -0.125 2.924 -9.030 1.00 0.00 C ATOM 461 CD1 LEU A 32 -0.929 1.648 -9.272 1.00 0.00 C ATOM 462 CD2 LEU A 32 -0.625 3.587 -7.748 1.00 0.00 C ATOM 0 H LEU A 32 1.715 4.345 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 32 2.188 4.267 -7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.623 2.007 -9.861 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.530 1.921 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.260 3.633 -9.846 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.991 1.890 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.620 1.196 -10.215 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.751 0.946 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.687 3.811 -7.845 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.472 2.912 -6.906 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.073 4.511 -7.577 1.00 0.00 H new ATOM 474 N GLU A 33 4.253 2.897 -10.160 1.00 0.00 N ATOM 475 CA GLU A 33 5.556 2.245 -10.316 1.00 0.00 C ATOM 476 C GLU A 33 6.694 3.140 -9.835 1.00 0.00 C ATOM 477 O GLU A 33 7.668 2.639 -9.284 1.00 0.00 O ATOM 478 CB GLU A 33 5.807 1.756 -11.748 1.00 0.00 C ATOM 479 CG GLU A 33 6.070 2.885 -12.752 1.00 0.00 C ATOM 480 CD GLU A 33 6.408 2.361 -14.139 1.00 0.00 C ATOM 481 OE1 GLU A 33 5.733 1.429 -14.622 1.00 0.00 O ATOM 482 OE2 GLU A 33 7.353 2.887 -14.772 1.00 0.00 O ATOM 0 H GLU A 33 3.766 3.080 -11.037 1.00 0.00 H new ATOM 0 HA GLU A 33 5.531 1.360 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.661 1.078 -11.746 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.944 1.180 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.190 3.525 -12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.891 3.505 -12.391 1.00 0.00 H new ATOM 489 N GLU A 34 6.520 4.453 -9.980 1.00 0.00 N ATOM 490 CA GLU A 34 7.474 5.483 -9.592 1.00 0.00 C ATOM 491 C GLU A 34 7.942 5.303 -8.140 1.00 0.00 C ATOM 492 O GLU A 34 9.109 5.505 -7.811 1.00 0.00 O ATOM 493 CB GLU A 34 6.779 6.836 -9.836 1.00 0.00 C ATOM 494 CG GLU A 34 7.560 7.994 -9.216 1.00 0.00 C ATOM 495 CD GLU A 34 7.096 9.384 -9.651 1.00 0.00 C ATOM 496 OE1 GLU A 34 5.892 9.578 -9.945 1.00 0.00 O ATOM 497 OE2 GLU A 34 7.907 10.336 -9.619 1.00 0.00 O ATOM 0 H GLU A 34 5.671 4.842 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 34 8.387 5.422 -10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.672 7.002 -10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.774 6.809 -9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.486 7.924 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.614 7.881 -9.471 1.00 0.00 H new ATOM 504 N ILE A 35 7.029 4.910 -7.255 1.00 0.00 N ATOM 505 CA ILE A 35 7.319 4.723 -5.845 1.00 0.00 C ATOM 506 C ILE A 35 8.289 3.547 -5.676 1.00 0.00 C ATOM 507 O ILE A 35 9.207 3.626 -4.859 1.00 0.00 O ATOM 508 CB ILE A 35 5.980 4.535 -5.097 1.00 0.00 C ATOM 509 CG1 ILE A 35 5.155 5.845 -5.050 1.00 0.00 C ATOM 510 CG2 ILE A 35 6.199 4.040 -3.659 1.00 0.00 C ATOM 511 CD1 ILE A 35 4.412 6.248 -6.318 1.00 0.00 C ATOM 0 H ILE A 35 6.060 4.712 -7.504 1.00 0.00 H new ATOM 0 HA ILE A 35 7.815 5.592 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 35 5.425 3.783 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.425 5.756 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.829 6.659 -4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.235 3.920 -3.165 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.719 3.082 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.799 4.767 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.877 7.182 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 35 5.126 6.384 -7.130 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.701 5.467 -6.587 1.00 0.00 H new ATOM 523 N CYS A 36 8.069 2.447 -6.405 1.00 0.00 N ATOM 524 CA CYS A 36 8.975 1.309 -6.400 1.00 0.00 C ATOM 525 C CYS A 36 10.348 1.749 -6.894 1.00 0.00 C ATOM 526 O CYS A 36 11.353 1.342 -6.311 1.00 0.00 O ATOM 527 CB CYS A 36 8.431 0.181 -7.281 1.00 0.00 C ATOM 528 SG CYS A 36 9.547 -1.243 -7.244 1.00 0.00 S ATOM 0 H CYS A 36 7.258 2.328 -7.012 1.00 0.00 H new ATOM 0 HA CYS A 36 9.062 0.932 -5.381 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.441 -0.115 -6.933 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.316 0.535 -8.306 1.00 0.00 H new ATOM 0 HG CYS A 36 9.635 -1.757 -8.435 1.00 0.00 H new ATOM 534 N ASP A 37 10.372 2.566 -7.948 1.00 0.00 N ATOM 535 CA ASP A 37 11.608 3.049 -8.541 1.00 0.00 C ATOM 536 C ASP A 37 12.415 3.801 -7.501 1.00 0.00 C ATOM 537 O ASP A 37 13.604 3.519 -7.332 1.00 0.00 O ATOM 538 CB ASP A 37 11.347 3.939 -9.763 1.00 0.00 C ATOM 539 CG ASP A 37 12.492 3.785 -10.765 1.00 0.00 C ATOM 540 OD1 ASP A 37 12.726 2.634 -11.204 1.00 0.00 O ATOM 541 OD2 ASP A 37 13.136 4.789 -11.140 1.00 0.00 O ATOM 0 H ASP A 37 9.530 2.909 -8.411 1.00 0.00 H new ATOM 0 HA ASP A 37 12.175 2.185 -8.887 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.402 3.663 -10.231 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.258 4.981 -9.454 1.00 0.00 H new ATOM 546 N LEU A 38 11.776 4.689 -6.727 1.00 0.00 N ATOM 547 CA LEU A 38 12.465 5.344 -5.633 1.00 0.00 C ATOM 548 C LEU A 38 12.930 4.337 -4.596 1.00 0.00 C ATOM 549 O LEU A 38 14.085 4.405 -4.202 1.00 0.00 O ATOM 550 CB LEU A 38 11.680 6.460 -4.968 1.00 0.00 C ATOM 551 CG LEU A 38 11.613 7.725 -5.831 1.00 0.00 C ATOM 552 CD1 LEU A 38 11.206 8.945 -4.998 1.00 0.00 C ATOM 553 CD2 LEU A 38 12.871 8.123 -6.623 1.00 0.00 C ATOM 0 H LEU A 38 10.799 4.960 -6.843 1.00 0.00 H new ATOM 0 HA LEU A 38 13.329 5.822 -6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.668 6.113 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.139 6.702 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 38 10.867 7.438 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.167 9.826 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.224 8.773 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.937 9.104 -4.205 1.00 0.00 H new ATOM 0 HD21 LEU A 38 12.673 9.036 -7.185 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.697 8.294 -5.932 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.135 7.322 -7.313 1.00 0.00 H new ATOM 565 N LEU A 39 12.087 3.404 -4.152 1.00 0.00 N ATOM 566 CA LEU A 39 12.433 2.420 -3.134 1.00 0.00 C ATOM 567 C LEU A 39 13.596 1.497 -3.529 1.00 0.00 C ATOM 568 O LEU A 39 14.237 0.952 -2.628 1.00 0.00 O ATOM 569 CB LEU A 39 11.170 1.630 -2.745 1.00 0.00 C ATOM 570 CG LEU A 39 10.210 2.493 -1.910 1.00 0.00 C ATOM 571 CD1 LEU A 39 8.722 2.193 -2.008 1.00 0.00 C ATOM 572 CD2 LEU A 39 10.601 2.224 -0.480 1.00 0.00 C ATOM 0 H LEU A 39 11.131 3.312 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 39 12.805 2.963 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.662 1.284 -3.645 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.453 0.743 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 39 10.313 3.513 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.169 2.879 -1.366 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.393 2.317 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.536 1.168 -1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.962 2.803 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.483 1.162 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.641 2.512 -0.327 1.00 0.00 H new ATOM 584 N ARG A 40 13.931 1.348 -4.819 1.00 0.00 N ATOM 585 CA ARG A 40 15.202 0.761 -5.254 1.00 0.00 C ATOM 586 C ARG A 40 16.317 1.804 -5.286 1.00 0.00 C ATOM 587 O ARG A 40 17.427 1.531 -4.832 1.00 0.00 O ATOM 588 CB ARG A 40 15.059 0.135 -6.649 1.00 0.00 C ATOM 589 CG ARG A 40 14.375 -1.237 -6.612 1.00 0.00 C ATOM 590 CD ARG A 40 14.669 -1.986 -7.914 1.00 0.00 C ATOM 591 NE ARG A 40 14.182 -3.372 -7.871 1.00 0.00 N ATOM 592 CZ ARG A 40 14.509 -4.343 -8.728 1.00 0.00 C ATOM 593 NH1 ARG A 40 15.397 -4.142 -9.695 1.00 0.00 N ATOM 594 NH2 ARG A 40 13.922 -5.523 -8.594 1.00 0.00 N ATOM 0 H ARG A 40 13.326 1.632 -5.589 1.00 0.00 H new ATOM 0 HA ARG A 40 15.465 -0.011 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 40 14.484 0.806 -7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.046 0.033 -7.100 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.735 -1.812 -5.759 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.299 -1.116 -6.484 1.00 0.00 H new ATOM 0 HD2 ARG A 40 14.201 -1.462 -8.748 1.00 0.00 H new ATOM 0 HD3 ARG A 40 15.743 -1.984 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 40 13.536 -3.614 -7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.845 -3.231 -9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.631 -4.899 -10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 40 13.240 -5.672 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.152 -6.283 -9.234 1.00 0.00 H new ATOM 608 N SER A 41 16.038 2.998 -5.805 1.00 0.00 N ATOM 609 CA SER A 41 16.992 4.105 -5.897 1.00 0.00 C ATOM 610 C SER A 41 17.399 4.673 -4.521 1.00 0.00 C ATOM 611 O SER A 41 18.270 5.539 -4.450 1.00 0.00 O ATOM 612 CB SER A 41 16.398 5.212 -6.781 1.00 0.00 C ATOM 613 OG SER A 41 15.864 4.681 -7.987 1.00 0.00 O ATOM 0 H SER A 41 15.119 3.230 -6.183 1.00 0.00 H new ATOM 0 HA SER A 41 17.905 3.713 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 41 15.614 5.736 -6.234 1.00 0.00 H new ATOM 0 HB3 SER A 41 17.169 5.946 -7.015 1.00 0.00 H new ATOM 0 HG SER A 41 14.926 4.432 -7.848 1.00 0.00 H new ATOM 619 N SER A 42 16.785 4.216 -3.430 1.00 0.00 N ATOM 620 CA SER A 42 16.901 4.758 -2.085 1.00 0.00 C ATOM 621 C SER A 42 17.598 3.765 -1.154 1.00 0.00 C ATOM 622 O SER A 42 17.911 2.635 -1.538 1.00 0.00 O ATOM 623 CB SER A 42 15.487 5.063 -1.585 1.00 0.00 C ATOM 624 OG SER A 42 14.912 6.101 -2.356 1.00 0.00 O ATOM 0 H SER A 42 16.159 3.412 -3.468 1.00 0.00 H new ATOM 0 HA SER A 42 17.505 5.665 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.869 4.167 -1.649 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.519 5.354 -0.535 1.00 0.00 H new ATOM 0 HG SER A 42 14.436 5.715 -3.121 1.00 0.00 H new ATOM 630 N HIS A 43 17.863 4.191 0.080 1.00 0.00 N ATOM 631 CA HIS A 43 18.396 3.347 1.137 1.00 0.00 C ATOM 632 C HIS A 43 17.266 2.853 2.050 1.00 0.00 C ATOM 633 O HIS A 43 16.141 3.355 1.967 1.00 0.00 O ATOM 634 CB HIS A 43 19.485 4.137 1.873 1.00 0.00 C ATOM 635 CG HIS A 43 20.299 3.293 2.810 1.00 0.00 C ATOM 636 ND1 HIS A 43 20.930 2.115 2.508 1.00 0.00 N flip ATOM 637 CD2 HIS A 43 20.513 3.561 4.139 1.00 0.00 C flip ATOM 638 CE1 HIS A 43 21.508 1.642 3.689 1.00 0.00 C flip ATOM 639 NE2 HIS A 43 21.233 2.550 4.641 1.00 0.00 N flip ATOM 0 H HIS A 43 17.708 5.155 0.375 1.00 0.00 H new ATOM 0 HA HIS A 43 18.854 2.445 0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 43 20.148 4.597 1.141 1.00 0.00 H new ATOM 0 HB3 HIS A 43 19.020 4.947 2.435 1.00 0.00 H new ATOM 0 HD2 HIS A 43 20.165 4.428 4.680 1.00 0.00 H new ATOM 0 HE1 HIS A 43 22.066 0.726 3.813 1.00 0.00 H new ATOM 0 HE2 HIS A 43 21.532 2.479 5.614 1.00 0.00 H new ATOM 647 N VAL A 44 17.552 1.894 2.941 1.00 0.00 N ATOM 648 CA VAL A 44 16.558 1.334 3.861 1.00 0.00 C ATOM 649 C VAL A 44 15.918 2.417 4.745 1.00 0.00 C ATOM 650 O VAL A 44 14.713 2.367 4.969 1.00 0.00 O ATOM 651 CB VAL A 44 17.158 0.156 4.661 1.00 0.00 C ATOM 652 CG1 VAL A 44 18.318 0.555 5.582 1.00 0.00 C ATOM 653 CG2 VAL A 44 16.081 -0.562 5.482 1.00 0.00 C ATOM 0 H VAL A 44 18.481 1.485 3.043 1.00 0.00 H new ATOM 0 HA VAL A 44 15.736 0.924 3.273 1.00 0.00 H new ATOM 0 HB VAL A 44 17.566 -0.519 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 44 18.684 -0.326 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 44 19.124 0.983 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 44 17.971 1.292 6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.533 -1.386 6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.630 0.140 6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 44 15.313 -0.951 4.813 1.00 0.00 H new ATOM 663 N SER A 45 16.677 3.442 5.145 1.00 0.00 N ATOM 664 CA SER A 45 16.165 4.606 5.861 1.00 0.00 C ATOM 665 C SER A 45 14.941 5.220 5.161 1.00 0.00 C ATOM 666 O SER A 45 14.061 5.764 5.808 1.00 0.00 O ATOM 667 CB SER A 45 17.306 5.631 6.008 1.00 0.00 C ATOM 668 OG SER A 45 17.701 5.771 7.359 1.00 0.00 O ATOM 0 H SER A 45 17.682 3.483 4.975 1.00 0.00 H new ATOM 0 HA SER A 45 15.822 4.296 6.848 1.00 0.00 H new ATOM 0 HB2 SER A 45 18.160 5.316 5.408 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.982 6.597 5.620 1.00 0.00 H new ATOM 0 HG SER A 45 18.427 6.426 7.421 1.00 0.00 H new ATOM 674 N ILE A 46 14.861 5.138 3.834 1.00 0.00 N ATOM 675 CA ILE A 46 13.808 5.761 3.046 1.00 0.00 C ATOM 676 C ILE A 46 12.645 4.789 2.846 1.00 0.00 C ATOM 677 O ILE A 46 11.501 5.240 2.736 1.00 0.00 O ATOM 678 CB ILE A 46 14.381 6.145 1.675 1.00 0.00 C ATOM 679 CG1 ILE A 46 15.810 6.733 1.702 1.00 0.00 C ATOM 680 CG2 ILE A 46 13.463 7.100 0.911 1.00 0.00 C ATOM 681 CD1 ILE A 46 15.991 7.943 2.614 1.00 0.00 C ATOM 0 H ILE A 46 15.540 4.627 3.270 1.00 0.00 H new ATOM 0 HA ILE A 46 13.443 6.644 3.570 1.00 0.00 H new ATOM 0 HB ILE A 46 14.443 5.189 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 46 16.502 5.952 2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 46 16.090 7.016 0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.911 7.343 -0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.495 6.625 0.752 1.00 0.00 H new ATOM 0 HG23 ILE A 46 13.327 8.014 1.489 1.00 0.00 H new ATOM 0 HD11 ILE A 46 17.025 8.284 2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 46 15.329 8.746 2.289 1.00 0.00 H new ATOM 0 HD13 ILE A 46 15.748 7.665 3.640 1.00 0.00 H new ATOM 693 N VAL A 47 12.927 3.477 2.774 1.00 0.00 N ATOM 694 CA VAL A 47 11.911 2.429 2.745 1.00 0.00 C ATOM 695 C VAL A 47 10.988 2.652 3.938 1.00 0.00 C ATOM 696 O VAL A 47 9.775 2.566 3.780 1.00 0.00 O ATOM 697 CB VAL A 47 12.539 1.020 2.838 1.00 0.00 C ATOM 698 CG1 VAL A 47 11.478 -0.078 2.987 1.00 0.00 C ATOM 699 CG2 VAL A 47 13.375 0.680 1.595 1.00 0.00 C ATOM 0 H VAL A 47 13.881 3.118 2.734 1.00 0.00 H new ATOM 0 HA VAL A 47 11.367 2.481 1.802 1.00 0.00 H new ATOM 0 HB VAL A 47 13.174 1.049 3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.967 -1.050 3.048 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.900 0.095 3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 47 10.812 -0.060 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.798 -0.319 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.740 0.712 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.181 1.406 1.489 1.00 0.00 H new ATOM 709 N LYS A 48 11.572 2.921 5.109 1.00 0.00 N ATOM 710 CA LYS A 48 10.882 3.123 6.371 1.00 0.00 C ATOM 711 C LYS A 48 9.796 4.176 6.242 1.00 0.00 C ATOM 712 O LYS A 48 8.629 3.871 6.491 1.00 0.00 O ATOM 713 CB LYS A 48 11.917 3.518 7.430 1.00 0.00 C ATOM 714 CG LYS A 48 12.760 2.312 7.853 1.00 0.00 C ATOM 715 CD LYS A 48 13.827 2.720 8.880 1.00 0.00 C ATOM 716 CE LYS A 48 13.873 1.681 9.996 1.00 0.00 C ATOM 717 NZ LYS A 48 12.849 1.926 11.033 1.00 0.00 N ATOM 0 H LYS A 48 12.584 3.006 5.199 1.00 0.00 H new ATOM 0 HA LYS A 48 10.387 2.199 6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.567 4.299 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.410 3.935 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.115 1.544 8.279 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.241 1.875 6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.802 2.797 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.596 3.703 9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.726 0.688 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.861 1.688 10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.919 1.195 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.003 2.862 11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.903 1.893 10.602 1.00 0.00 H new ATOM 731 N GLU A 49 10.169 5.391 5.832 1.00 0.00 N ATOM 732 CA GLU A 49 9.192 6.468 5.726 1.00 0.00 C ATOM 733 C GLU A 49 8.157 6.142 4.650 1.00 0.00 C ATOM 734 O GLU A 49 6.976 6.417 4.832 1.00 0.00 O ATOM 735 CB GLU A 49 9.884 7.792 5.386 1.00 0.00 C ATOM 736 CG GLU A 49 10.291 8.619 6.609 1.00 0.00 C ATOM 737 CD GLU A 49 11.716 8.293 7.042 1.00 0.00 C ATOM 738 OE1 GLU A 49 12.615 8.644 6.240 1.00 0.00 O ATOM 739 OE2 GLU A 49 11.873 7.733 8.156 1.00 0.00 O ATOM 0 H GLU A 49 11.122 5.647 5.573 1.00 0.00 H new ATOM 0 HA GLU A 49 8.691 6.567 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.773 7.582 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.217 8.388 4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.212 9.681 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.603 8.421 7.431 1.00 0.00 H new ATOM 746 N PHE A 50 8.590 5.595 3.510 1.00 0.00 N ATOM 747 CA PHE A 50 7.680 5.277 2.419 1.00 0.00 C ATOM 748 C PHE A 50 6.623 4.281 2.870 1.00 0.00 C ATOM 749 O PHE A 50 5.437 4.478 2.610 1.00 0.00 O ATOM 750 CB PHE A 50 8.448 4.692 1.236 1.00 0.00 C ATOM 751 CG PHE A 50 8.758 5.643 0.103 1.00 0.00 C ATOM 752 CD1 PHE A 50 7.735 6.416 -0.481 1.00 0.00 C ATOM 753 CD2 PHE A 50 10.037 5.627 -0.477 1.00 0.00 C ATOM 754 CE1 PHE A 50 7.962 7.089 -1.693 1.00 0.00 C ATOM 755 CE2 PHE A 50 10.257 6.272 -1.702 1.00 0.00 C ATOM 756 CZ PHE A 50 9.202 6.952 -2.335 1.00 0.00 C ATOM 0 H PHE A 50 9.566 5.365 3.324 1.00 0.00 H new ATOM 0 HA PHE A 50 7.191 6.202 2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.388 4.283 1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 50 7.874 3.857 0.834 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.773 6.491 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.850 5.118 0.020 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.189 7.706 -2.127 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.235 6.247 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.347 7.371 -3.320 1.00 0.00 H new ATOM 766 N SER A 51 7.073 3.212 3.524 1.00 0.00 N ATOM 767 CA SER A 51 6.241 2.202 4.135 1.00 0.00 C ATOM 768 C SER A 51 5.238 2.920 5.028 1.00 0.00 C ATOM 769 O SER A 51 4.048 2.790 4.782 1.00 0.00 O ATOM 770 CB SER A 51 7.164 1.191 4.845 1.00 0.00 C ATOM 771 OG SER A 51 6.486 0.124 5.464 1.00 0.00 O ATOM 0 H SER A 51 8.069 3.027 3.642 1.00 0.00 H new ATOM 0 HA SER A 51 5.655 1.617 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.868 0.786 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.751 1.718 5.597 1.00 0.00 H new ATOM 0 HG SER A 51 6.908 -0.076 6.325 1.00 0.00 H new ATOM 777 N GLU A 52 5.677 3.721 5.998 1.00 0.00 N ATOM 778 CA GLU A 52 4.776 4.470 6.871 1.00 0.00 C ATOM 779 C GLU A 52 3.692 5.234 6.096 1.00 0.00 C ATOM 780 O GLU A 52 2.516 5.080 6.428 1.00 0.00 O ATOM 781 CB GLU A 52 5.582 5.395 7.787 1.00 0.00 C ATOM 782 CG GLU A 52 6.353 4.612 8.862 1.00 0.00 C ATOM 783 CD GLU A 52 5.784 4.895 10.243 1.00 0.00 C ATOM 784 OE1 GLU A 52 5.950 6.039 10.718 1.00 0.00 O ATOM 785 OE2 GLU A 52 5.153 4.008 10.856 1.00 0.00 O ATOM 0 H GLU A 52 6.666 3.868 6.200 1.00 0.00 H new ATOM 0 HA GLU A 52 4.240 3.749 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.284 5.976 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.909 6.105 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.297 3.544 8.652 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.407 4.887 8.834 1.00 0.00 H new ATOM 792 N PHE A 53 4.044 5.995 5.052 1.00 0.00 N ATOM 793 CA PHE A 53 3.086 6.777 4.272 1.00 0.00 C ATOM 794 C PHE A 53 2.007 5.894 3.626 1.00 0.00 C ATOM 795 O PHE A 53 0.863 6.339 3.450 1.00 0.00 O ATOM 796 CB PHE A 53 3.828 7.545 3.170 1.00 0.00 C ATOM 797 CG PHE A 53 5.001 8.407 3.591 1.00 0.00 C ATOM 798 CD1 PHE A 53 5.032 9.033 4.851 1.00 0.00 C ATOM 799 CD2 PHE A 53 6.080 8.585 2.705 1.00 0.00 C ATOM 800 CE1 PHE A 53 6.136 9.811 5.220 1.00 0.00 C ATOM 801 CE2 PHE A 53 7.179 9.376 3.074 1.00 0.00 C ATOM 802 CZ PHE A 53 7.205 9.998 4.331 1.00 0.00 C ATOM 0 H PHE A 53 5.006 6.084 4.726 1.00 0.00 H new ATOM 0 HA PHE A 53 2.592 7.466 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.187 6.821 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.107 8.183 2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.204 8.913 5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.062 8.110 1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.165 10.271 6.197 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.005 9.506 2.390 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.044 10.618 4.613 1.00 0.00 H new ATOM 812 N ILE A 54 2.385 4.671 3.230 1.00 0.00 N ATOM 813 CA ILE A 54 1.520 3.665 2.626 1.00 0.00 C ATOM 814 C ILE A 54 0.639 3.037 3.699 1.00 0.00 C ATOM 815 O ILE A 54 -0.577 2.950 3.529 1.00 0.00 O ATOM 816 CB ILE A 54 2.355 2.609 1.869 1.00 0.00 C ATOM 817 CG1 ILE A 54 3.142 3.236 0.691 1.00 0.00 C ATOM 818 CG2 ILE A 54 1.439 1.506 1.313 1.00 0.00 C ATOM 819 CD1 ILE A 54 4.335 2.395 0.218 1.00 0.00 C ATOM 0 H ILE A 54 3.347 4.348 3.329 1.00 0.00 H new ATOM 0 HA ILE A 54 0.870 4.140 1.891 1.00 0.00 H new ATOM 0 HB ILE A 54 3.065 2.190 2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.462 3.386 -0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.501 4.221 0.991 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.040 0.768 0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.913 1.021 2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.715 1.946 0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.833 2.902 -0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.038 2.266 1.041 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.983 1.419 -0.115 1.00 0.00 H new ATOM 831 N LEU A 55 1.251 2.557 4.776 1.00 0.00 N ATOM 832 CA LEU A 55 0.603 1.779 5.816 1.00 0.00 C ATOM 833 C LEU A 55 -0.477 2.617 6.493 1.00 0.00 C ATOM 834 O LEU A 55 -1.590 2.135 6.708 1.00 0.00 O ATOM 835 CB LEU A 55 1.640 1.351 6.856 1.00 0.00 C ATOM 836 CG LEU A 55 2.766 0.435 6.359 1.00 0.00 C ATOM 837 CD1 LEU A 55 3.931 0.564 7.343 1.00 0.00 C ATOM 838 CD2 LEU A 55 2.348 -1.029 6.225 1.00 0.00 C ATOM 0 H LEU A 55 2.245 2.706 4.951 1.00 0.00 H new ATOM 0 HA LEU A 55 0.146 0.896 5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.091 2.249 7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.120 0.843 7.668 1.00 0.00 H new ATOM 0 HG LEU A 55 3.047 0.751 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.752 -0.076 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.268 1.600 7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.603 0.260 8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.194 -1.618 5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.026 -1.406 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.526 -1.109 5.514 1.00 0.00 H new ATOM 850 N LYS A 56 -0.163 3.883 6.789 1.00 0.00 N ATOM 851 CA LYS A 56 -1.065 4.811 7.470 1.00 0.00 C ATOM 852 C LYS A 56 -2.315 5.060 6.637 1.00 0.00 C ATOM 853 O LYS A 56 -3.361 5.445 7.160 1.00 0.00 O ATOM 854 CB LYS A 56 -0.333 6.138 7.743 1.00 0.00 C ATOM 855 CG LYS A 56 0.713 6.140 8.879 1.00 0.00 C ATOM 856 CD LYS A 56 1.100 4.771 9.451 1.00 0.00 C ATOM 857 CE LYS A 56 2.225 4.906 10.464 1.00 0.00 C ATOM 858 NZ LYS A 56 2.509 3.609 11.106 1.00 0.00 N ATOM 0 H LYS A 56 0.740 4.296 6.557 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.372 4.368 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.165 6.446 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.081 6.897 7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.617 6.624 8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.332 6.755 9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.232 4.311 9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.410 4.109 8.643 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.123 5.277 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.952 5.640 11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.011 3.557 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.183 2.838 10.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.533 3.517 11.265 1.00 0.00 H new ATOM 872 N ARG A 57 -2.244 4.826 5.326 1.00 0.00 N ATOM 873 CA ARG A 57 -3.377 5.015 4.443 1.00 0.00 C ATOM 874 C ARG A 57 -4.536 4.095 4.803 1.00 0.00 C ATOM 875 O ARG A 57 -5.683 4.444 4.539 1.00 0.00 O ATOM 876 CB ARG A 57 -2.921 4.777 3.001 1.00 0.00 C ATOM 877 CG ARG A 57 -3.723 5.604 2.000 1.00 0.00 C ATOM 878 CD ARG A 57 -3.623 7.109 2.248 1.00 0.00 C ATOM 879 NE ARG A 57 -2.244 7.566 2.507 1.00 0.00 N ATOM 880 CZ ARG A 57 -1.801 8.813 2.330 1.00 0.00 C ATOM 881 NH1 ARG A 57 -2.625 9.745 1.863 1.00 0.00 N ATOM 882 NH2 ARG A 57 -0.537 9.100 2.620 1.00 0.00 N ATOM 0 H ARG A 57 -1.399 4.502 4.856 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.743 6.036 4.553 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.863 5.025 2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.022 3.719 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.372 5.384 0.992 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.770 5.303 2.045 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.018 7.640 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.252 7.373 3.098 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.576 6.874 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.592 9.506 1.641 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.291 10.699 1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.083 8.371 2.974 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.187 10.049 2.489 1.00 0.00 H new ATOM 896 N LEU A 58 -4.261 2.935 5.404 1.00 0.00 N ATOM 897 CA LEU A 58 -5.291 1.995 5.825 1.00 0.00 C ATOM 898 C LEU A 58 -6.027 2.476 7.083 1.00 0.00 C ATOM 899 O LEU A 58 -7.012 1.860 7.505 1.00 0.00 O ATOM 900 CB LEU A 58 -4.683 0.599 6.028 1.00 0.00 C ATOM 901 CG LEU A 58 -4.231 -0.142 4.753 1.00 0.00 C ATOM 902 CD1 LEU A 58 -5.172 -0.007 3.548 1.00 0.00 C ATOM 903 CD2 LEU A 58 -2.839 0.266 4.275 1.00 0.00 C ATOM 0 H LEU A 58 -3.312 2.624 5.611 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.037 1.935 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.823 0.694 6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.416 -0.022 6.543 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.238 -1.179 5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.765 -0.564 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.153 -0.406 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.268 1.044 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.585 -0.294 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.829 1.333 4.054 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.109 0.050 5.055 1.00 0.00 H new ATOM 915 N ASP A 59 -5.572 3.566 7.696 1.00 0.00 N ATOM 916 CA ASP A 59 -6.084 4.100 8.952 1.00 0.00 C ATOM 917 C ASP A 59 -6.958 5.336 8.739 1.00 0.00 C ATOM 918 O ASP A 59 -7.737 5.710 9.616 1.00 0.00 O ATOM 919 CB ASP A 59 -4.879 4.433 9.835 1.00 0.00 C ATOM 920 CG ASP A 59 -5.170 4.157 11.300 1.00 0.00 C ATOM 921 OD1 ASP A 59 -5.175 2.965 11.679 1.00 0.00 O ATOM 922 OD2 ASP A 59 -5.331 5.108 12.093 1.00 0.00 O ATOM 0 H ASP A 59 -4.806 4.122 7.315 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.722 3.357 9.430 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.019 3.844 9.516 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.612 5.482 9.707 1.00 0.00 H new ATOM 927 N ASN A 60 -6.813 5.972 7.573 1.00 0.00 N ATOM 928 CA ASN A 60 -7.437 7.240 7.214 1.00 0.00 C ATOM 929 C ASN A 60 -8.961 7.109 7.053 1.00 0.00 C ATOM 930 O ASN A 60 -9.484 6.028 6.765 1.00 0.00 O ATOM 931 CB ASN A 60 -6.809 7.738 5.902 1.00 0.00 C ATOM 932 CG ASN A 60 -7.304 9.133 5.534 1.00 0.00 C ATOM 933 OD1 ASN A 60 -7.475 9.402 4.257 1.00 0.00 O flip ATOM 934 ND2 ASN A 60 -7.570 9.962 6.399 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.231 5.597 6.824 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.262 7.954 8.019 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.723 7.751 6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.048 7.043 5.097 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.431 9.735 7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.931 10.878 6.133 1.00 0.00 H new ATOM 941 N LYS A 61 -9.694 8.214 7.212 1.00 0.00 N ATOM 942 CA LYS A 61 -11.149 8.290 7.088 1.00 0.00 C ATOM 943 C LYS A 61 -11.571 8.439 5.627 1.00 0.00 C ATOM 944 O LYS A 61 -11.725 9.558 5.135 1.00 0.00 O ATOM 945 CB LYS A 61 -11.677 9.454 7.944 1.00 0.00 C ATOM 946 CG LYS A 61 -11.763 9.100 9.442 1.00 0.00 C ATOM 947 CD LYS A 61 -13.207 9.130 9.957 1.00 0.00 C ATOM 948 CE LYS A 61 -14.034 7.973 9.377 1.00 0.00 C ATOM 949 NZ LYS A 61 -15.438 8.354 9.146 1.00 0.00 N ATOM 0 H LYS A 61 -9.272 9.114 7.439 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.585 7.360 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.025 10.318 7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.665 9.744 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.340 8.109 9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.159 9.803 10.016 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.208 9.070 11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.670 10.080 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.589 7.646 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.997 7.124 10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.958 7.543 8.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.872 8.642 10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.477 9.147 8.474 1.00 0.00 H new ATOM 963 N SER A 62 -11.805 7.313 4.957 1.00 0.00 N ATOM 964 CA SER A 62 -12.533 7.154 3.702 1.00 0.00 C ATOM 965 C SER A 62 -12.535 5.649 3.402 1.00 0.00 C ATOM 966 O SER A 62 -11.513 4.994 3.599 1.00 0.00 O ATOM 967 CB SER A 62 -11.832 7.917 2.566 1.00 0.00 C ATOM 968 OG SER A 62 -12.449 7.656 1.325 1.00 0.00 O ATOM 0 H SER A 62 -11.463 6.418 5.306 1.00 0.00 H new ATOM 0 HA SER A 62 -13.544 7.552 3.781 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.859 8.987 2.771 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.782 7.627 2.522 1.00 0.00 H new ATOM 0 HG SER A 62 -12.782 8.495 0.942 1.00 0.00 H new ATOM 974 N PRO A 63 -13.596 5.067 2.827 1.00 0.00 N ATOM 975 CA PRO A 63 -13.507 3.740 2.221 1.00 0.00 C ATOM 976 C PRO A 63 -12.439 3.685 1.112 1.00 0.00 C ATOM 977 O PRO A 63 -11.718 2.694 0.996 1.00 0.00 O ATOM 978 CB PRO A 63 -14.926 3.448 1.702 1.00 0.00 C ATOM 979 CG PRO A 63 -15.536 4.831 1.504 1.00 0.00 C ATOM 980 CD PRO A 63 -14.876 5.699 2.556 1.00 0.00 C ATOM 0 HA PRO A 63 -13.185 2.982 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.902 2.885 0.769 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -15.499 2.857 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.342 5.209 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.618 4.808 1.632 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.743 6.719 2.197 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.485 5.756 3.458 1.00 0.00 H new ATOM 988 N ILE A 64 -12.344 4.721 0.275 1.00 0.00 N ATOM 989 CA ILE A 64 -11.644 4.653 -1.009 1.00 0.00 C ATOM 990 C ILE A 64 -10.145 4.725 -0.799 1.00 0.00 C ATOM 991 O ILE A 64 -9.401 3.952 -1.409 1.00 0.00 O ATOM 992 CB ILE A 64 -12.118 5.806 -1.909 1.00 0.00 C ATOM 993 CG1 ILE A 64 -13.636 5.711 -2.144 1.00 0.00 C ATOM 994 CG2 ILE A 64 -11.396 5.842 -3.256 1.00 0.00 C ATOM 995 CD1 ILE A 64 -14.311 7.040 -1.799 1.00 0.00 C ATOM 0 H ILE A 64 -12.753 5.635 0.470 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.872 3.703 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 64 -11.877 6.730 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.834 5.454 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.056 4.912 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -11.772 6.676 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.326 5.967 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -11.575 4.909 -3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.384 6.958 -1.970 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -14.128 7.280 -0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -13.902 7.830 -2.429 1.00 0.00 H new ATOM 1007 N VAL A 65 -9.708 5.626 0.086 1.00 0.00 N ATOM 1008 CA VAL A 65 -8.299 5.808 0.390 1.00 0.00 C ATOM 1009 C VAL A 65 -7.665 4.461 0.763 1.00 0.00 C ATOM 1010 O VAL A 65 -6.474 4.249 0.520 1.00 0.00 O ATOM 1011 CB VAL A 65 -8.143 6.871 1.503 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.436 6.312 2.900 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.773 7.547 1.439 1.00 0.00 C ATOM 0 H VAL A 65 -10.327 6.246 0.608 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.768 6.176 -0.488 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.899 7.634 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.311 7.101 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.460 5.940 2.936 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.746 5.497 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.696 8.288 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.991 6.798 1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.654 8.038 0.473 1.00 0.00 H new ATOM 1023 N LYS A 66 -8.450 3.560 1.385 1.00 0.00 N ATOM 1024 CA LYS A 66 -7.885 2.292 1.838 1.00 0.00 C ATOM 1025 C LYS A 66 -7.612 1.452 0.603 1.00 0.00 C ATOM 1026 O LYS A 66 -6.481 1.029 0.377 1.00 0.00 O ATOM 1027 CB LYS A 66 -8.820 1.537 2.809 1.00 0.00 C ATOM 1028 CG LYS A 66 -8.598 1.906 4.285 1.00 0.00 C ATOM 1029 CD LYS A 66 -9.789 2.531 4.989 1.00 0.00 C ATOM 1030 CE LYS A 66 -11.028 1.629 5.022 1.00 0.00 C ATOM 1031 NZ LYS A 66 -12.047 2.213 5.916 1.00 0.00 N ATOM 0 H LYS A 66 -9.444 3.687 1.577 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.969 2.488 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.855 1.748 2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.671 0.464 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.309 1.005 4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.758 2.598 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.505 2.781 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.045 3.466 4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.434 1.516 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.755 0.632 5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.927 1.664 5.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.703 2.189 6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.230 3.198 5.637 1.00 0.00 H new ATOM 1045 N GLN A 67 -8.654 1.177 -0.186 1.00 0.00 N ATOM 1046 CA GLN A 67 -8.548 0.286 -1.333 1.00 0.00 C ATOM 1047 C GLN A 67 -7.519 0.794 -2.339 1.00 0.00 C ATOM 1048 O GLN A 67 -6.825 -0.022 -2.939 1.00 0.00 O ATOM 1049 CB GLN A 67 -9.930 0.082 -1.961 1.00 0.00 C ATOM 1050 CG GLN A 67 -10.004 -1.155 -2.875 1.00 0.00 C ATOM 1051 CD GLN A 67 -9.602 -0.934 -4.331 1.00 0.00 C ATOM 1052 OE1 GLN A 67 -9.804 0.137 -4.905 1.00 0.00 O ATOM 1053 NE2 GLN A 67 -9.084 -1.961 -4.976 1.00 0.00 N ATOM 0 H GLN A 67 -9.587 1.565 -0.045 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.188 -0.686 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.672 -0.015 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.194 0.968 -2.538 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -9.364 -1.931 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.024 -1.537 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.923 -2.841 -4.487 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.845 -1.875 -5.964 1.00 0.00 H new ATOM 1062 N LYS A 68 -7.356 2.114 -2.482 1.00 0.00 N ATOM 1063 CA LYS A 68 -6.296 2.670 -3.312 1.00 0.00 C ATOM 1064 C LYS A 68 -4.927 2.155 -2.873 1.00 0.00 C ATOM 1065 O LYS A 68 -4.218 1.588 -3.708 1.00 0.00 O ATOM 1066 CB LYS A 68 -6.362 4.204 -3.337 1.00 0.00 C ATOM 1067 CG LYS A 68 -7.423 4.667 -4.342 1.00 0.00 C ATOM 1068 CD LYS A 68 -7.584 6.185 -4.411 1.00 0.00 C ATOM 1069 CE LYS A 68 -8.358 6.579 -5.678 1.00 0.00 C ATOM 1070 NZ LYS A 68 -7.458 6.777 -6.828 1.00 0.00 N ATOM 0 H LYS A 68 -7.947 2.812 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.449 2.329 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.601 4.582 -2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.389 4.614 -3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.161 4.293 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.381 4.221 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.112 6.543 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.604 6.662 -4.411 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -9.086 5.803 -5.915 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.918 7.496 -5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.984 6.621 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.085 7.748 -6.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.669 6.102 -6.772 1.00 0.00 H new ATOM 1084 N ALA A 69 -4.559 2.319 -1.596 1.00 0.00 N ATOM 1085 CA ALA A 69 -3.277 1.847 -1.089 1.00 0.00 C ATOM 1086 C ALA A 69 -3.119 0.344 -1.285 1.00 0.00 C ATOM 1087 O ALA A 69 -2.026 -0.098 -1.619 1.00 0.00 O ATOM 1088 CB ALA A 69 -3.123 2.202 0.388 1.00 0.00 C ATOM 0 H ALA A 69 -5.140 2.779 -0.895 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.493 2.346 -1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.160 1.842 0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.175 3.284 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.924 1.734 0.960 1.00 0.00 H new ATOM 1094 N LEU A 70 -4.195 -0.436 -1.126 1.00 0.00 N ATOM 1095 CA LEU A 70 -4.144 -1.885 -1.297 1.00 0.00 C ATOM 1096 C LEU A 70 -3.630 -2.245 -2.702 1.00 0.00 C ATOM 1097 O LEU A 70 -2.750 -3.098 -2.821 1.00 0.00 O ATOM 1098 CB LEU A 70 -5.509 -2.523 -0.974 1.00 0.00 C ATOM 1099 CG LEU A 70 -5.999 -2.369 0.478 1.00 0.00 C ATOM 1100 CD1 LEU A 70 -7.402 -2.944 0.663 1.00 0.00 C ATOM 1101 CD2 LEU A 70 -5.064 -3.049 1.473 1.00 0.00 C ATOM 0 H LEU A 70 -5.118 -0.079 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.432 -2.303 -0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.257 -2.088 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.455 -3.586 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.014 -1.297 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.713 -2.817 1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.099 -2.421 0.008 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.396 -4.005 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.449 -2.915 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.003 -4.113 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.071 -2.605 1.401 1.00 0.00 H new ATOM 1113 N ARG A 71 -4.088 -1.554 -3.761 1.00 0.00 N ATOM 1114 CA ARG A 71 -3.553 -1.765 -5.118 1.00 0.00 C ATOM 1115 C ARG A 71 -2.053 -1.465 -5.174 1.00 0.00 C ATOM 1116 O ARG A 71 -1.307 -2.218 -5.795 1.00 0.00 O ATOM 1117 CB ARG A 71 -4.268 -0.920 -6.196 1.00 0.00 C ATOM 1118 CG ARG A 71 -5.802 -0.931 -6.145 1.00 0.00 C ATOM 1119 CD ARG A 71 -6.402 -0.208 -7.361 1.00 0.00 C ATOM 1120 NE ARG A 71 -7.837 0.055 -7.174 1.00 0.00 N ATOM 1121 CZ ARG A 71 -8.740 0.320 -8.126 1.00 0.00 C ATOM 1122 NH1 ARG A 71 -8.414 0.433 -9.410 1.00 0.00 N ATOM 1123 NH2 ARG A 71 -10.001 0.485 -7.760 1.00 0.00 N ATOM 0 H ARG A 71 -4.823 -0.849 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.736 -2.817 -5.339 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.928 0.112 -6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.953 -1.276 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.160 -1.960 -6.117 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.142 -0.450 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.876 0.733 -7.523 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.255 -0.813 -8.255 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.182 0.033 -6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.444 0.317 -9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.134 0.636 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.261 0.409 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.713 0.688 -8.461 1.00 0.00 H new ATOM 1137 N LEU A 72 -1.621 -0.346 -4.582 1.00 0.00 N ATOM 1138 CA LEU A 72 -0.228 0.098 -4.616 1.00 0.00 C ATOM 1139 C LEU A 72 0.689 -0.892 -3.897 1.00 0.00 C ATOM 1140 O LEU A 72 1.800 -1.109 -4.374 1.00 0.00 O ATOM 1141 CB LEU A 72 -0.105 1.509 -4.001 1.00 0.00 C ATOM 1142 CG LEU A 72 1.342 2.024 -3.816 1.00 0.00 C ATOM 1143 CD1 LEU A 72 2.097 2.194 -5.140 1.00 0.00 C ATOM 1144 CD2 LEU A 72 1.307 3.375 -3.094 1.00 0.00 C ATOM 0 H LEU A 72 -2.236 0.280 -4.062 1.00 0.00 H new ATOM 0 HA LEU A 72 0.091 0.142 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.645 2.212 -4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.600 1.509 -3.030 1.00 0.00 H new ATOM 0 HG LEU A 72 1.873 1.272 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.105 2.558 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.153 1.234 -5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.571 2.912 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.324 3.743 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.737 4.090 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.834 3.254 -2.119 1.00 0.00 H new ATOM 1156 N ILE A 73 0.259 -1.443 -2.755 1.00 0.00 N ATOM 1157 CA ILE A 73 1.093 -2.278 -1.894 1.00 0.00 C ATOM 1158 C ILE A 73 1.497 -3.489 -2.716 1.00 0.00 C ATOM 1159 O ILE A 73 2.634 -3.570 -3.162 1.00 0.00 O ATOM 1160 CB ILE A 73 0.371 -2.638 -0.569 1.00 0.00 C ATOM 1161 CG1 ILE A 73 0.270 -1.398 0.336 1.00 0.00 C ATOM 1162 CG2 ILE A 73 1.129 -3.735 0.208 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -0.827 -1.496 1.400 1.00 0.00 C ATOM 0 H ILE A 73 -0.690 -1.318 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 73 1.988 -1.746 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.622 -3.003 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.229 -1.241 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.084 -0.521 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.595 -3.962 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.195 -4.635 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.133 -3.384 0.447 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.836 -0.585 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.795 -1.621 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.632 -2.352 2.046 1.00 0.00 H new ATOM 1175 N LYS A 74 0.561 -4.398 -2.971 1.00 0.00 N ATOM 1176 CA LYS A 74 0.787 -5.605 -3.754 1.00 0.00 C ATOM 1177 C LYS A 74 1.489 -5.355 -5.081 1.00 0.00 C ATOM 1178 O LYS A 74 2.200 -6.237 -5.535 1.00 0.00 O ATOM 1179 CB LYS A 74 -0.530 -6.365 -3.961 1.00 0.00 C ATOM 1180 CG LYS A 74 -1.593 -5.597 -4.762 1.00 0.00 C ATOM 1181 CD LYS A 74 -1.587 -6.026 -6.237 1.00 0.00 C ATOM 1182 CE LYS A 74 -2.727 -5.373 -7.013 1.00 0.00 C ATOM 1183 NZ LYS A 74 -2.912 -6.018 -8.326 1.00 0.00 N ATOM 0 H LYS A 74 -0.397 -4.313 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 74 1.472 -6.222 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.316 -7.303 -4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.944 -6.621 -2.986 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -2.578 -5.777 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.404 -4.526 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.634 -5.756 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.675 -7.110 -6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.650 -5.442 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.516 -4.313 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.693 -5.555 -8.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.038 -5.930 -8.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.136 -7.024 -8.190 1.00 0.00 H new ATOM 1197 N TYR A 75 1.300 -4.192 -5.710 1.00 0.00 N ATOM 1198 CA TYR A 75 2.028 -3.901 -6.925 1.00 0.00 C ATOM 1199 C TYR A 75 3.524 -3.777 -6.620 1.00 0.00 C ATOM 1200 O TYR A 75 4.314 -4.472 -7.253 1.00 0.00 O ATOM 1201 CB TYR A 75 1.453 -2.666 -7.631 1.00 0.00 C ATOM 1202 CG TYR A 75 2.086 -2.341 -8.976 1.00 0.00 C ATOM 1203 CD1 TYR A 75 2.512 -3.369 -9.846 1.00 0.00 C ATOM 1204 CD2 TYR A 75 2.219 -0.997 -9.378 1.00 0.00 C ATOM 1205 CE1 TYR A 75 3.061 -3.057 -11.100 1.00 0.00 C ATOM 1206 CE2 TYR A 75 2.740 -0.681 -10.645 1.00 0.00 C ATOM 1207 CZ TYR A 75 3.138 -1.714 -11.516 1.00 0.00 C ATOM 1208 OH TYR A 75 3.617 -1.411 -12.749 1.00 0.00 O ATOM 0 H TYR A 75 0.662 -3.459 -5.399 1.00 0.00 H new ATOM 0 HA TYR A 75 1.909 -4.728 -7.625 1.00 0.00 H new ATOM 0 HB2 TYR A 75 0.383 -2.815 -7.776 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.569 -1.804 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.415 -4.402 -9.545 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.919 -0.205 -8.708 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.423 -3.845 -11.744 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.835 0.351 -10.950 1.00 0.00 H new ATOM 0 HH TYR A 75 3.419 -2.146 -13.367 1.00 0.00 H new ATOM 1218 N ALA A 76 3.927 -2.903 -5.691 1.00 0.00 N ATOM 1219 CA ALA A 76 5.335 -2.674 -5.373 1.00 0.00 C ATOM 1220 C ALA A 76 5.964 -3.863 -4.626 1.00 0.00 C ATOM 1221 O ALA A 76 7.142 -4.179 -4.816 1.00 0.00 O ATOM 1222 CB ALA A 76 5.475 -1.378 -4.564 1.00 0.00 C ATOM 0 H ALA A 76 3.283 -2.336 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 76 5.881 -2.574 -6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.525 -1.208 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.095 -0.541 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.904 -1.463 -3.639 1.00 0.00 H new ATOM 1228 N VAL A 77 5.201 -4.522 -3.751 1.00 0.00 N ATOM 1229 CA VAL A 77 5.634 -5.657 -2.961 1.00 0.00 C ATOM 1230 C VAL A 77 6.086 -6.763 -3.917 1.00 0.00 C ATOM 1231 O VAL A 77 5.306 -7.308 -4.696 1.00 0.00 O ATOM 1232 CB VAL A 77 4.541 -6.135 -1.990 1.00 0.00 C ATOM 1233 CG1 VAL A 77 5.080 -7.340 -1.218 1.00 0.00 C ATOM 1234 CG2 VAL A 77 4.164 -5.139 -0.885 1.00 0.00 C ATOM 0 H VAL A 77 4.230 -4.264 -3.573 1.00 0.00 H new ATOM 0 HA VAL A 77 6.472 -5.363 -2.329 1.00 0.00 H new ATOM 0 HB VAL A 77 3.672 -6.318 -2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.320 -7.696 -0.522 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.333 -8.137 -1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.971 -7.047 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.386 -5.571 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.042 -4.920 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.795 -4.218 -1.336 1.00 0.00 H new ATOM 1244 N GLY A 78 7.374 -7.074 -3.823 1.00 0.00 N ATOM 1245 CA GLY A 78 8.045 -8.123 -4.576 1.00 0.00 C ATOM 1246 C GLY A 78 9.015 -7.539 -5.613 1.00 0.00 C ATOM 1247 O GLY A 78 9.869 -8.256 -6.142 1.00 0.00 O ATOM 0 H GLY A 78 8.005 -6.579 -3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.591 -8.772 -3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.303 -8.743 -5.079 1.00 0.00 H new ATOM 1251 N LYS A 79 8.945 -6.232 -5.894 1.00 0.00 N ATOM 1252 CA LYS A 79 9.797 -5.530 -6.867 1.00 0.00 C ATOM 1253 C LYS A 79 10.923 -4.795 -6.155 1.00 0.00 C ATOM 1254 O LYS A 79 12.094 -4.949 -6.492 1.00 0.00 O ATOM 1255 CB LYS A 79 8.967 -4.496 -7.643 1.00 0.00 C ATOM 1256 CG LYS A 79 7.771 -5.119 -8.344 1.00 0.00 C ATOM 1257 CD LYS A 79 6.905 -4.065 -9.046 1.00 0.00 C ATOM 1258 CE LYS A 79 5.905 -4.679 -10.026 1.00 0.00 C ATOM 1259 NZ LYS A 79 5.194 -5.844 -9.470 1.00 0.00 N ATOM 0 H LYS A 79 8.274 -5.613 -5.438 1.00 0.00 H new ATOM 0 HA LYS A 79 10.211 -6.272 -7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.620 -3.724 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.602 -4.005 -8.381 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.119 -5.849 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.166 -5.660 -7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.364 -3.487 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.550 -3.368 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.177 -3.921 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.431 -4.980 -10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.386 -6.081 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.842 -6.656 -9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.852 -5.618 -8.514 1.00 0.00 H new ATOM 1273 N SER A 80 10.539 -4.014 -5.155 1.00 0.00 N ATOM 1274 CA SER A 80 11.257 -2.985 -4.432 1.00 0.00 C ATOM 1275 C SER A 80 12.451 -3.451 -3.583 1.00 0.00 C ATOM 1276 O SER A 80 12.799 -2.754 -2.630 1.00 0.00 O ATOM 1277 CB SER A 80 10.177 -2.377 -3.537 1.00 0.00 C ATOM 1278 OG SER A 80 9.081 -1.926 -4.305 1.00 0.00 O ATOM 0 H SER A 80 9.592 -4.104 -4.788 1.00 0.00 H new ATOM 0 HA SER A 80 11.729 -2.303 -5.139 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.839 -3.119 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.595 -1.546 -2.969 1.00 0.00 H new ATOM 0 HG SER A 80 9.324 -1.928 -5.254 1.00 0.00 H new ATOM 1284 N GLY A 81 13.045 -4.619 -3.836 1.00 0.00 N ATOM 1285 CA GLY A 81 13.970 -5.239 -2.895 1.00 0.00 C ATOM 1286 C GLY A 81 13.208 -5.799 -1.693 1.00 0.00 C ATOM 1287 O GLY A 81 11.973 -5.724 -1.623 1.00 0.00 O ATOM 0 H GLY A 81 12.898 -5.155 -4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.521 -6.039 -3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.704 -4.506 -2.560 1.00 0.00 H new ATOM 1291 N SER A 82 13.928 -6.405 -0.751 1.00 0.00 N ATOM 1292 CA SER A 82 13.319 -7.152 0.337 1.00 0.00 C ATOM 1293 C SER A 82 13.194 -6.360 1.630 1.00 0.00 C ATOM 1294 O SER A 82 12.406 -6.756 2.481 1.00 0.00 O ATOM 1295 CB SER A 82 14.028 -8.488 0.556 1.00 0.00 C ATOM 1296 OG SER A 82 15.419 -8.412 0.349 1.00 0.00 O ATOM 0 H SER A 82 14.948 -6.390 -0.724 1.00 0.00 H new ATOM 0 HA SER A 82 12.295 -7.357 0.024 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.836 -8.833 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.606 -9.232 -0.119 1.00 0.00 H new ATOM 0 HG SER A 82 15.821 -9.292 0.504 1.00 0.00 H new ATOM 1302 N GLU A 83 13.855 -5.212 1.785 1.00 0.00 N ATOM 1303 CA GLU A 83 13.683 -4.423 3.005 1.00 0.00 C ATOM 1304 C GLU A 83 12.199 -4.048 3.113 1.00 0.00 C ATOM 1305 O GLU A 83 11.523 -4.393 4.082 1.00 0.00 O ATOM 1306 CB GLU A 83 14.607 -3.191 3.045 1.00 0.00 C ATOM 1307 CG GLU A 83 16.033 -3.408 2.517 1.00 0.00 C ATOM 1308 CD GLU A 83 16.684 -4.686 3.045 1.00 0.00 C ATOM 1309 OE1 GLU A 83 16.988 -4.764 4.255 1.00 0.00 O ATOM 1310 OE2 GLU A 83 16.874 -5.640 2.249 1.00 0.00 O ATOM 0 H GLU A 83 14.499 -4.815 1.100 1.00 0.00 H new ATOM 0 HA GLU A 83 13.976 -5.016 3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.143 -2.393 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.671 -2.841 4.075 1.00 0.00 H new ATOM 0 HG2 GLU A 83 16.008 -3.444 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.650 -2.553 2.794 1.00 0.00 H new ATOM 1317 N PHE A 84 11.651 -3.492 2.030 1.00 0.00 N ATOM 1318 CA PHE A 84 10.233 -3.203 1.887 1.00 0.00 C ATOM 1319 C PHE A 84 9.361 -4.459 2.017 1.00 0.00 C ATOM 1320 O PHE A 84 8.234 -4.366 2.510 1.00 0.00 O ATOM 1321 CB PHE A 84 10.014 -2.522 0.529 1.00 0.00 C ATOM 1322 CG PHE A 84 8.576 -2.139 0.257 1.00 0.00 C ATOM 1323 CD1 PHE A 84 8.023 -0.986 0.844 1.00 0.00 C ATOM 1324 CD2 PHE A 84 7.787 -2.940 -0.587 1.00 0.00 C ATOM 1325 CE1 PHE A 84 6.688 -0.635 0.588 1.00 0.00 C ATOM 1326 CE2 PHE A 84 6.451 -2.591 -0.835 1.00 0.00 C ATOM 1327 CZ PHE A 84 5.896 -1.444 -0.243 1.00 0.00 C ATOM 0 H PHE A 84 12.199 -3.226 1.212 1.00 0.00 H new ATOM 0 HA PHE A 84 9.928 -2.541 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.633 -1.626 0.479 1.00 0.00 H new ATOM 0 HB3 PHE A 84 10.357 -3.191 -0.261 1.00 0.00 H new ATOM 0 HD1 PHE A 84 8.627 -0.369 1.493 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.209 -3.823 -1.044 1.00 0.00 H new ATOM 0 HE1 PHE A 84 6.270 0.257 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.846 -3.207 -1.484 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.864 -1.185 -0.426 1.00 0.00 H new ATOM 1337 N ARG A 85 9.820 -5.636 1.554 1.00 0.00 N ATOM 1338 CA ARG A 85 8.997 -6.847 1.617 1.00 0.00 C ATOM 1339 C ARG A 85 8.810 -7.263 3.076 1.00 0.00 C ATOM 1340 O ARG A 85 7.814 -7.914 3.391 1.00 0.00 O ATOM 1341 CB ARG A 85 9.521 -7.975 0.682 1.00 0.00 C ATOM 1342 CG ARG A 85 10.358 -9.090 1.345 1.00 0.00 C ATOM 1343 CD ARG A 85 11.082 -10.031 0.362 1.00 0.00 C ATOM 1344 NE ARG A 85 10.278 -11.188 -0.044 1.00 0.00 N ATOM 1345 CZ ARG A 85 10.586 -12.133 -0.942 1.00 0.00 C ATOM 1346 NH1 ARG A 85 11.680 -12.062 -1.691 1.00 0.00 N ATOM 1347 NH2 ARG A 85 9.767 -13.166 -1.089 1.00 0.00 N ATOM 0 H ARG A 85 10.742 -5.769 1.139 1.00 0.00 H new ATOM 0 HA ARG A 85 8.006 -6.629 1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.664 -8.438 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.125 -7.516 -0.101 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.100 -8.628 1.996 1.00 0.00 H new ATOM 0 HG3 ARG A 85 9.703 -9.686 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.365 -9.466 -0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.005 -10.384 0.823 1.00 0.00 H new ATOM 0 HE ARG A 85 9.372 -11.285 0.414 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.316 -11.270 -1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.885 -12.799 -2.366 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.920 -13.230 -0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.984 -13.896 -1.767 1.00 0.00 H new ATOM 1361 N ARG A 86 9.724 -6.883 3.976 1.00 0.00 N ATOM 1362 CA ARG A 86 9.610 -7.155 5.401 1.00 0.00 C ATOM 1363 C ARG A 86 8.892 -6.030 6.125 1.00 0.00 C ATOM 1364 O ARG A 86 8.023 -6.342 6.929 1.00 0.00 O ATOM 1365 CB ARG A 86 10.994 -7.392 6.007 1.00 0.00 C ATOM 1366 CG ARG A 86 11.755 -8.577 5.404 1.00 0.00 C ATOM 1367 CD ARG A 86 10.981 -9.903 5.354 1.00 0.00 C ATOM 1368 NE ARG A 86 11.869 -11.038 5.646 1.00 0.00 N ATOM 1369 CZ ARG A 86 11.549 -12.334 5.697 1.00 0.00 C ATOM 1370 NH1 ARG A 86 10.305 -12.720 5.433 1.00 0.00 N ATOM 1371 NH2 ARG A 86 12.477 -13.238 5.992 1.00 0.00 N ATOM 0 H ARG A 86 10.571 -6.373 3.726 1.00 0.00 H new ATOM 0 HA ARG A 86 9.013 -8.059 5.525 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.592 -6.490 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.885 -7.554 7.079 1.00 0.00 H new ATOM 0 HG2 ARG A 86 12.057 -8.314 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 86 12.668 -8.731 5.979 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.164 -9.880 6.075 1.00 0.00 H new ATOM 0 HD3 ARG A 86 10.533 -10.030 4.369 1.00 0.00 H new ATOM 0 HE ARG A 86 12.845 -10.809 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 86 9.596 -12.027 5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.059 -13.709 5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 86 13.435 -12.943 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.231 -14.227 6.031 1.00 0.00 H new ATOM 1385 N GLU A 87 9.176 -4.761 5.841 1.00 0.00 N ATOM 1386 CA GLU A 87 8.546 -3.608 6.497 1.00 0.00 C ATOM 1387 C GLU A 87 7.028 -3.646 6.318 1.00 0.00 C ATOM 1388 O GLU A 87 6.292 -3.453 7.286 1.00 0.00 O ATOM 1389 CB GLU A 87 9.187 -2.302 5.979 1.00 0.00 C ATOM 1390 CG GLU A 87 9.973 -1.515 7.049 1.00 0.00 C ATOM 1391 CD GLU A 87 11.055 -2.306 7.808 1.00 0.00 C ATOM 1392 OE1 GLU A 87 11.389 -3.452 7.434 1.00 0.00 O ATOM 1393 OE2 GLU A 87 11.566 -1.798 8.834 1.00 0.00 O ATOM 0 H GLU A 87 9.863 -4.496 5.135 1.00 0.00 H new ATOM 0 HA GLU A 87 8.724 -3.651 7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.858 -2.542 5.155 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.403 -1.661 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.447 -0.659 6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.263 -1.119 7.775 1.00 0.00 H new ATOM 1400 N MET A 88 6.552 -4.034 5.134 1.00 0.00 N ATOM 1401 CA MET A 88 5.134 -4.270 4.895 1.00 0.00 C ATOM 1402 C MET A 88 4.566 -5.330 5.858 1.00 0.00 C ATOM 1403 O MET A 88 3.444 -5.156 6.324 1.00 0.00 O ATOM 1404 CB MET A 88 4.937 -4.640 3.421 1.00 0.00 C ATOM 1405 CG MET A 88 5.097 -3.395 2.536 1.00 0.00 C ATOM 1406 SD MET A 88 3.626 -2.329 2.494 1.00 0.00 S ATOM 1407 CE MET A 88 4.268 -0.868 3.343 1.00 0.00 C ATOM 0 H MET A 88 7.141 -4.192 4.316 1.00 0.00 H new ATOM 0 HA MET A 88 4.570 -3.360 5.100 1.00 0.00 H new ATOM 0 HB2 MET A 88 5.663 -5.399 3.129 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.947 -5.073 3.276 1.00 0.00 H new ATOM 0 HG2 MET A 88 5.946 -2.813 2.895 1.00 0.00 H new ATOM 0 HG3 MET A 88 5.334 -3.711 1.520 1.00 0.00 H new ATOM 0 HE1 MET A 88 3.482 -0.117 3.419 1.00 0.00 H new ATOM 0 HE2 MET A 88 4.603 -1.146 4.342 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.107 -0.459 2.780 1.00 0.00 H new ATOM 1417 N GLN A 89 5.304 -6.403 6.202 1.00 0.00 N ATOM 1418 CA GLN A 89 4.869 -7.364 7.224 1.00 0.00 C ATOM 1419 C GLN A 89 4.746 -6.684 8.589 1.00 0.00 C ATOM 1420 O GLN A 89 3.769 -6.921 9.300 1.00 0.00 O ATOM 1421 CB GLN A 89 5.820 -8.558 7.425 1.00 0.00 C ATOM 1422 CG GLN A 89 6.131 -9.467 6.234 1.00 0.00 C ATOM 1423 CD GLN A 89 6.883 -10.716 6.704 1.00 0.00 C ATOM 1424 OE1 GLN A 89 7.051 -10.956 7.895 1.00 0.00 O ATOM 1425 NE2 GLN A 89 7.415 -11.525 5.815 1.00 0.00 N ATOM 0 H GLN A 89 6.207 -6.623 5.783 1.00 0.00 H new ATOM 0 HA GLN A 89 3.915 -7.734 6.850 1.00 0.00 H new ATOM 0 HB2 GLN A 89 6.767 -8.166 7.796 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.402 -9.182 8.215 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.205 -9.757 5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.731 -8.927 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 89 7.287 -11.344 4.819 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.955 -12.334 6.121 1.00 0.00 H new ATOM 1434 N ARG A 90 5.734 -5.871 8.996 1.00 0.00 N ATOM 1435 CA ARG A 90 5.836 -5.316 10.350 1.00 0.00 C ATOM 1436 C ARG A 90 4.603 -4.506 10.731 1.00 0.00 C ATOM 1437 O ARG A 90 4.311 -4.401 11.920 1.00 0.00 O ATOM 1438 CB ARG A 90 7.108 -4.456 10.504 1.00 0.00 C ATOM 1439 CG ARG A 90 8.363 -5.263 10.882 1.00 0.00 C ATOM 1440 CD ARG A 90 8.841 -6.224 9.789 1.00 0.00 C ATOM 1441 NE ARG A 90 9.883 -7.136 10.276 1.00 0.00 N ATOM 1442 CZ ARG A 90 10.067 -8.402 9.876 1.00 0.00 C ATOM 1443 NH1 ARG A 90 9.394 -8.902 8.843 1.00 0.00 N ATOM 1444 NH2 ARG A 90 10.932 -9.169 10.518 1.00 0.00 N ATOM 0 H ARG A 90 6.494 -5.578 8.382 1.00 0.00 H new ATOM 0 HA ARG A 90 5.901 -6.163 11.033 1.00 0.00 H new ATOM 0 HB2 ARG A 90 7.295 -3.930 9.568 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.932 -3.698 11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.170 -4.570 11.120 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.156 -5.834 11.787 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.995 -6.804 9.421 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.226 -5.651 8.945 1.00 0.00 H new ATOM 0 HE ARG A 90 10.524 -6.774 10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.724 -8.319 8.341 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.548 -9.868 8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.453 -8.796 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.078 -10.133 10.220 1.00 0.00 H new ATOM 1458 N ASN A 91 3.852 -3.990 9.757 1.00 0.00 N ATOM 1459 CA ASN A 91 2.654 -3.188 9.970 1.00 0.00 C ATOM 1460 C ASN A 91 1.460 -3.768 9.198 1.00 0.00 C ATOM 1461 O ASN A 91 0.465 -3.076 8.987 1.00 0.00 O ATOM 1462 CB ASN A 91 2.994 -1.738 9.596 1.00 0.00 C ATOM 1463 CG ASN A 91 3.900 -1.095 10.642 1.00 0.00 C ATOM 1464 OD1 ASN A 91 3.536 -1.016 11.811 1.00 0.00 O ATOM 1465 ND2 ASN A 91 5.093 -0.664 10.257 1.00 0.00 N ATOM 0 H ASN A 91 4.070 -4.125 8.770 1.00 0.00 H new ATOM 0 HA ASN A 91 2.343 -3.207 11.014 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.485 -1.716 8.623 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.075 -1.159 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.732 -0.255 10.939 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.372 -0.741 9.279 1.00 0.00 H new ATOM 1472 N SER A 92 1.535 -5.027 8.748 1.00 0.00 N ATOM 1473 CA SER A 92 0.533 -5.664 7.891 1.00 0.00 C ATOM 1474 C SER A 92 -0.854 -5.756 8.529 1.00 0.00 C ATOM 1475 O SER A 92 -1.843 -5.922 7.811 1.00 0.00 O ATOM 1476 CB SER A 92 1.004 -7.055 7.456 1.00 0.00 C ATOM 1477 OG SER A 92 1.282 -7.909 8.552 1.00 0.00 O ATOM 0 H SER A 92 2.314 -5.644 8.977 1.00 0.00 H new ATOM 0 HA SER A 92 0.430 -5.017 7.020 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.239 -7.513 6.830 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.900 -6.955 6.843 1.00 0.00 H new ATOM 0 HG SER A 92 2.155 -7.678 8.934 1.00 0.00 H new ATOM 1483 N VAL A 93 -0.956 -5.610 9.852 1.00 0.00 N ATOM 1484 CA VAL A 93 -2.217 -5.697 10.568 1.00 0.00 C ATOM 1485 C VAL A 93 -3.253 -4.729 10.017 1.00 0.00 C ATOM 1486 O VAL A 93 -4.427 -5.085 9.988 1.00 0.00 O ATOM 1487 CB VAL A 93 -2.004 -5.498 12.080 1.00 0.00 C ATOM 1488 CG1 VAL A 93 -1.362 -4.155 12.466 1.00 0.00 C ATOM 1489 CG2 VAL A 93 -3.306 -5.705 12.862 1.00 0.00 C ATOM 0 H VAL A 93 -0.155 -5.427 10.456 1.00 0.00 H new ATOM 0 HA VAL A 93 -2.613 -6.701 10.414 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.284 -6.267 12.359 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.251 -4.103 13.549 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.382 -4.072 11.996 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.998 -3.337 12.127 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.119 -5.557 13.926 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.053 -4.988 12.522 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.673 -6.718 12.696 1.00 0.00 H new ATOM 1499 N ALA A 94 -2.850 -3.538 9.557 1.00 0.00 N ATOM 1500 CA ALA A 94 -3.818 -2.552 9.109 1.00 0.00 C ATOM 1501 C ALA A 94 -4.653 -3.118 7.952 1.00 0.00 C ATOM 1502 O ALA A 94 -5.875 -3.000 7.926 1.00 0.00 O ATOM 1503 CB ALA A 94 -3.109 -1.263 8.681 1.00 0.00 C ATOM 0 H ALA A 94 -1.875 -3.245 9.489 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.487 -2.316 9.937 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -3.848 -0.534 8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.553 -0.856 9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.420 -1.480 7.864 1.00 0.00 H new ATOM 1509 N VAL A 95 -3.972 -3.758 7.002 1.00 0.00 N ATOM 1510 CA VAL A 95 -4.567 -4.449 5.874 1.00 0.00 C ATOM 1511 C VAL A 95 -5.332 -5.681 6.376 1.00 0.00 C ATOM 1512 O VAL A 95 -6.501 -5.843 6.035 1.00 0.00 O ATOM 1513 CB VAL A 95 -3.442 -4.803 4.887 1.00 0.00 C ATOM 1514 CG1 VAL A 95 -3.945 -5.672 3.732 1.00 0.00 C ATOM 1515 CG2 VAL A 95 -2.799 -3.531 4.319 1.00 0.00 C ATOM 0 H VAL A 95 -2.953 -3.807 7.003 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.291 -3.823 5.353 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.700 -5.372 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.117 -5.898 3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.355 -6.601 4.128 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.721 -5.137 3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.006 -3.804 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.554 -2.944 3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.380 -2.940 5.134 1.00 0.00 H new ATOM 1525 N ARG A 96 -4.703 -6.544 7.187 1.00 0.00 N ATOM 1526 CA ARG A 96 -5.315 -7.781 7.695 1.00 0.00 C ATOM 1527 C ARG A 96 -6.633 -7.513 8.417 1.00 0.00 C ATOM 1528 O ARG A 96 -7.576 -8.295 8.309 1.00 0.00 O ATOM 1529 CB ARG A 96 -4.344 -8.494 8.642 1.00 0.00 C ATOM 1530 CG ARG A 96 -3.234 -9.245 7.909 1.00 0.00 C ATOM 1531 CD ARG A 96 -2.167 -9.853 8.833 1.00 0.00 C ATOM 1532 NE ARG A 96 -2.761 -10.744 9.843 1.00 0.00 N ATOM 1533 CZ ARG A 96 -2.187 -11.207 10.958 1.00 0.00 C ATOM 1534 NH1 ARG A 96 -0.876 -11.105 11.154 1.00 0.00 N ATOM 1535 NH2 ARG A 96 -2.956 -11.744 11.894 1.00 0.00 N ATOM 0 H ARG A 96 -3.747 -6.402 7.512 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.530 -8.416 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -3.896 -7.761 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -4.901 -9.196 9.263 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -3.681 -10.042 7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -2.748 -8.562 7.212 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -1.445 -10.410 8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.619 -9.053 9.331 1.00 0.00 H new ATOM 0 HE ARG A 96 -3.721 -11.043 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.287 -10.666 10.446 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.459 -11.465 12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.965 -11.798 11.756 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.539 -12.103 12.753 1.00 0.00 H new ATOM 1549 N ASN A 97 -6.723 -6.401 9.141 1.00 0.00 N ATOM 1550 CA ASN A 97 -7.927 -5.978 9.836 1.00 0.00 C ATOM 1551 C ASN A 97 -9.058 -5.709 8.839 1.00 0.00 C ATOM 1552 O ASN A 97 -10.198 -6.107 9.074 1.00 0.00 O ATOM 1553 CB ASN A 97 -7.603 -4.722 10.660 1.00 0.00 C ATOM 1554 CG ASN A 97 -8.774 -4.317 11.541 1.00 0.00 C ATOM 1555 OD1 ASN A 97 -9.629 -3.528 11.138 1.00 0.00 O ATOM 1556 ND2 ASN A 97 -8.811 -4.826 12.763 1.00 0.00 N ATOM 0 H ASN A 97 -5.941 -5.757 9.261 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.266 -6.769 10.505 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.727 -4.909 11.281 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.350 -3.901 9.989 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.563 -4.567 13.401 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.087 -5.477 13.066 1.00 0.00 H new ATOM 1563 N LEU A 98 -8.759 -5.041 7.720 1.00 0.00 N ATOM 1564 CA LEU A 98 -9.740 -4.642 6.713 1.00 0.00 C ATOM 1565 C LEU A 98 -10.350 -5.812 5.941 1.00 0.00 C ATOM 1566 O LEU A 98 -11.335 -5.579 5.240 1.00 0.00 O ATOM 1567 CB LEU A 98 -9.119 -3.656 5.717 1.00 0.00 C ATOM 1568 CG LEU A 98 -8.779 -2.276 6.299 1.00 0.00 C ATOM 1569 CD1 LEU A 98 -7.864 -1.565 5.317 1.00 0.00 C ATOM 1570 CD2 LEU A 98 -10.024 -1.431 6.594 1.00 0.00 C ATOM 0 H LEU A 98 -7.807 -4.758 7.487 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.550 -4.170 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -8.209 -4.097 5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.808 -3.523 4.883 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.282 -2.415 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.607 -0.580 5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.954 -2.149 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.373 -1.454 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.721 -0.467 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.584 -1.274 5.672 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.653 -1.950 7.317 1.00 0.00 H new ATOM 1582 N PHE A 99 -9.873 -7.050 6.117 1.00 0.00 N ATOM 1583 CA PHE A 99 -10.494 -8.271 5.585 1.00 0.00 C ATOM 1584 C PHE A 99 -11.988 -8.338 5.929 1.00 0.00 C ATOM 1585 O PHE A 99 -12.763 -8.999 5.232 1.00 0.00 O ATOM 1586 CB PHE A 99 -9.837 -9.505 6.218 1.00 0.00 C ATOM 1587 CG PHE A 99 -8.542 -9.990 5.608 1.00 0.00 C ATOM 1588 CD1 PHE A 99 -7.527 -9.088 5.250 1.00 0.00 C ATOM 1589 CD2 PHE A 99 -8.325 -11.372 5.457 1.00 0.00 C ATOM 1590 CE1 PHE A 99 -6.304 -9.562 4.762 1.00 0.00 C ATOM 1591 CE2 PHE A 99 -7.113 -11.844 4.932 1.00 0.00 C ATOM 1592 CZ PHE A 99 -6.099 -10.939 4.584 1.00 0.00 C ATOM 0 H PHE A 99 -9.022 -7.236 6.647 1.00 0.00 H new ATOM 0 HA PHE A 99 -10.361 -8.253 4.503 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -9.654 -9.287 7.270 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -10.554 -10.325 6.183 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.691 -8.025 5.352 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.095 -12.072 5.746 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.515 -8.865 4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.960 -12.904 4.796 1.00 0.00 H new ATOM 0 HZ PHE A 99 -5.165 -11.300 4.181 1.00 0.00 H new ATOM 1602 N HIS A 100 -12.380 -7.680 7.025 1.00 0.00 N ATOM 1603 CA HIS A 100 -13.714 -7.692 7.599 1.00 0.00 C ATOM 1604 C HIS A 100 -14.256 -6.259 7.736 1.00 0.00 C ATOM 1605 O HIS A 100 -15.093 -5.985 8.600 1.00 0.00 O ATOM 1606 CB HIS A 100 -13.717 -8.501 8.910 1.00 0.00 C ATOM 1607 CG HIS A 100 -12.772 -9.684 8.910 1.00 0.00 C ATOM 1608 ND1 HIS A 100 -12.996 -10.942 8.386 1.00 0.00 N ATOM 1609 CD2 HIS A 100 -11.470 -9.638 9.326 1.00 0.00 C ATOM 1610 CE1 HIS A 100 -11.851 -11.639 8.501 1.00 0.00 C ATOM 1611 NE2 HIS A 100 -10.895 -10.887 9.075 1.00 0.00 N ATOM 0 H HIS A 100 -11.735 -7.096 7.558 1.00 0.00 H new ATOM 0 HA HIS A 100 -14.407 -8.202 6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.452 -7.838 9.734 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -14.729 -8.858 9.101 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -10.974 -8.787 9.770 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -11.718 -12.661 8.177 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -9.939 -11.172 9.286 1.00 0.00 H new ATOM 1619 N TYR A 101 -13.745 -5.317 6.928 1.00 0.00 N ATOM 1620 CA TYR A 101 -14.280 -3.961 6.866 1.00 0.00 C ATOM 1621 C TYR A 101 -15.724 -4.008 6.374 1.00 0.00 C ATOM 1622 O TYR A 101 -16.082 -4.847 5.545 1.00 0.00 O ATOM 1623 CB TYR A 101 -13.398 -3.064 5.982 1.00 0.00 C ATOM 1624 CG TYR A 101 -13.898 -1.635 5.860 1.00 0.00 C ATOM 1625 CD1 TYR A 101 -14.117 -0.864 7.016 1.00 0.00 C ATOM 1626 CD2 TYR A 101 -14.203 -1.091 4.601 1.00 0.00 C ATOM 1627 CE1 TYR A 101 -14.686 0.415 6.920 1.00 0.00 C ATOM 1628 CE2 TYR A 101 -14.685 0.222 4.494 1.00 0.00 C ATOM 1629 CZ TYR A 101 -14.968 0.969 5.654 1.00 0.00 C ATOM 1630 OH TYR A 101 -15.456 2.229 5.520 1.00 0.00 O ATOM 0 H TYR A 101 -12.954 -5.479 6.305 1.00 0.00 H new ATOM 0 HA TYR A 101 -14.273 -3.521 7.863 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -12.387 -3.051 6.389 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.335 -3.502 4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -13.845 -1.259 7.984 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -14.066 -1.687 3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -14.908 0.976 7.816 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -14.840 0.661 3.520 1.00 0.00 H new ATOM 0 HH TYR A 101 -15.152 2.609 4.669 1.00 0.00 H new ATOM 1640 N LYS A 102 -16.543 -3.079 6.869 1.00 0.00 N ATOM 1641 CA LYS A 102 -17.923 -2.920 6.427 1.00 0.00 C ATOM 1642 C LYS A 102 -18.275 -1.463 6.174 1.00 0.00 C ATOM 1643 O LYS A 102 -18.840 -1.164 5.129 1.00 0.00 O ATOM 1644 CB LYS A 102 -18.897 -3.613 7.390 1.00 0.00 C ATOM 1645 CG LYS A 102 -18.836 -3.160 8.865 1.00 0.00 C ATOM 1646 CD LYS A 102 -20.239 -3.096 9.482 1.00 0.00 C ATOM 1647 CE LYS A 102 -20.186 -2.491 10.887 1.00 0.00 C ATOM 1648 NZ LYS A 102 -21.534 -2.319 11.451 1.00 0.00 N ATOM 0 H LYS A 102 -16.264 -2.415 7.591 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.025 -3.421 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.911 -3.454 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.710 -4.686 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -18.216 -3.851 9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -18.363 -2.180 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.893 -2.498 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -20.667 -4.097 9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.597 -3.135 11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -19.680 -1.526 10.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -21.462 -1.907 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -22.087 -1.685 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.007 -3.244 11.509 1.00 0.00 H new ATOM 1662 N GLY A 103 -17.914 -0.530 7.058 1.00 0.00 N ATOM 1663 CA GLY A 103 -18.398 0.844 6.960 1.00 0.00 C ATOM 1664 C GLY A 103 -19.928 0.859 6.937 1.00 0.00 C ATOM 1665 O GLY A 103 -20.566 0.030 7.596 1.00 0.00 O ATOM 0 H GLY A 103 -17.290 -0.703 7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -18.033 1.428 7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -18.008 1.312 6.056 1.00 0.00 H new ATOM 1669 N HIS A 104 -20.521 1.808 6.213 1.00 0.00 N ATOM 1670 CA HIS A 104 -21.966 1.929 6.023 1.00 0.00 C ATOM 1671 C HIS A 104 -22.300 1.898 4.531 1.00 0.00 C ATOM 1672 O HIS A 104 -21.405 2.154 3.714 1.00 0.00 O ATOM 1673 CB HIS A 104 -22.457 3.217 6.699 1.00 0.00 C ATOM 1674 CG HIS A 104 -22.759 2.975 8.152 1.00 0.00 C ATOM 1675 ND1 HIS A 104 -24.001 2.700 8.683 1.00 0.00 N ATOM 1676 CD2 HIS A 104 -21.832 2.808 9.144 1.00 0.00 C ATOM 1677 CE1 HIS A 104 -23.825 2.375 9.973 1.00 0.00 C ATOM 1678 NE2 HIS A 104 -22.517 2.396 10.290 1.00 0.00 N ATOM 0 H HIS A 104 -19.994 2.535 5.729 1.00 0.00 H new ATOM 0 HA HIS A 104 -22.480 1.087 6.487 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -21.699 3.994 6.605 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -23.351 3.581 6.193 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.767 2.966 9.057 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -24.621 2.131 10.661 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -22.105 2.157 11.192 1.00 0.00 H new ATOM 1686 N PRO A 105 -23.568 1.620 4.167 1.00 0.00 N ATOM 1687 CA PRO A 105 -24.012 1.644 2.785 1.00 0.00 C ATOM 1688 C PRO A 105 -23.971 3.064 2.217 1.00 0.00 C ATOM 1689 O PRO A 105 -23.463 4.003 2.829 1.00 0.00 O ATOM 1690 CB PRO A 105 -25.429 1.055 2.787 1.00 0.00 C ATOM 1691 CG PRO A 105 -25.940 1.441 4.171 1.00 0.00 C ATOM 1692 CD PRO A 105 -24.693 1.301 5.041 1.00 0.00 C ATOM 0 HA PRO A 105 -23.357 1.059 2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -26.046 1.477 1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -25.420 -0.025 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -26.334 2.457 4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -26.742 0.783 4.504 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -24.732 1.979 5.894 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -24.605 0.291 5.441 1.00 0.00 H new ATOM 1700 N ASP A 106 -24.457 3.207 0.995 1.00 0.00 N ATOM 1701 CA ASP A 106 -24.392 4.421 0.201 1.00 0.00 C ATOM 1702 C ASP A 106 -25.743 4.582 -0.497 1.00 0.00 C ATOM 1703 O ASP A 106 -26.456 3.578 -0.643 1.00 0.00 O ATOM 1704 CB ASP A 106 -23.269 4.258 -0.829 1.00 0.00 C ATOM 1705 CG ASP A 106 -21.937 4.820 -0.328 1.00 0.00 C ATOM 1706 OD1 ASP A 106 -21.219 4.092 0.393 1.00 0.00 O ATOM 1707 OD2 ASP A 106 -21.616 5.979 -0.659 1.00 0.00 O ATOM 0 H ASP A 106 -24.929 2.445 0.508 1.00 0.00 H new ATOM 0 HA ASP A 106 -24.187 5.300 0.812 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -23.148 3.201 -1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -23.550 4.764 -1.753 1.00 0.00 H new ATOM 1712 N PRO A 107 -26.092 5.789 -0.970 1.00 0.00 N ATOM 1713 CA PRO A 107 -27.368 6.037 -1.633 1.00 0.00 C ATOM 1714 C PRO A 107 -27.491 5.220 -2.919 1.00 0.00 C ATOM 1715 O PRO A 107 -28.542 4.637 -3.190 1.00 0.00 O ATOM 1716 CB PRO A 107 -27.407 7.546 -1.907 1.00 0.00 C ATOM 1717 CG PRO A 107 -25.952 8.002 -1.825 1.00 0.00 C ATOM 1718 CD PRO A 107 -25.320 7.019 -0.850 1.00 0.00 C ATOM 0 HA PRO A 107 -28.211 5.731 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -27.832 7.758 -2.888 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -28.025 8.064 -1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -25.466 7.967 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -25.874 9.028 -1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -24.271 6.848 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -25.353 7.403 0.169 1.00 0.00 H new ATOM 1726 N LEU A 108 -26.406 5.161 -3.694 1.00 0.00 N ATOM 1727 CA LEU A 108 -26.331 4.549 -5.021 1.00 0.00 C ATOM 1728 C LEU A 108 -25.355 3.384 -5.051 1.00 0.00 C ATOM 1729 O LEU A 108 -25.629 2.373 -5.694 1.00 0.00 O ATOM 1730 CB LEU A 108 -26.020 5.589 -6.114 1.00 0.00 C ATOM 1731 CG LEU A 108 -25.104 6.776 -5.751 1.00 0.00 C ATOM 1732 CD1 LEU A 108 -23.625 6.418 -5.661 1.00 0.00 C ATOM 1733 CD2 LEU A 108 -25.291 7.911 -6.746 1.00 0.00 C ATOM 0 H LEU A 108 -25.514 5.558 -3.399 1.00 0.00 H new ATOM 0 HA LEU A 108 -27.318 4.142 -5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -25.567 5.063 -6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -26.968 5.996 -6.466 1.00 0.00 H new ATOM 0 HG LEU A 108 -25.409 7.087 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -23.051 7.307 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -23.481 5.657 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -23.285 6.034 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -24.638 8.742 -6.477 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -25.040 7.562 -7.748 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -26.329 8.244 -6.727 1.00 0.00 H new ATOM 1745 N LYS A 109 -24.236 3.479 -4.328 1.00 0.00 N ATOM 1746 CA LYS A 109 -23.254 2.402 -4.347 1.00 0.00 C ATOM 1747 C LYS A 109 -23.731 1.202 -3.536 1.00 0.00 C ATOM 1748 O LYS A 109 -23.234 0.109 -3.783 1.00 0.00 O ATOM 1749 CB LYS A 109 -21.872 2.904 -3.900 1.00 0.00 C ATOM 1750 CG LYS A 109 -21.229 3.770 -4.990 1.00 0.00 C ATOM 1751 CD LYS A 109 -20.409 2.938 -5.979 1.00 0.00 C ATOM 1752 CE LYS A 109 -19.910 3.894 -7.058 1.00 0.00 C ATOM 1753 NZ LYS A 109 -19.009 3.243 -8.023 1.00 0.00 N ATOM 0 H LYS A 109 -23.994 4.273 -3.736 1.00 0.00 H new ATOM 0 HA LYS A 109 -23.147 2.059 -5.376 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -21.970 3.482 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -21.227 2.055 -3.676 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -22.007 4.310 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -20.586 4.518 -4.526 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -19.572 2.454 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -21.018 2.147 -6.416 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -20.764 4.312 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -19.389 4.727 -6.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.700 3.938 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.178 2.867 -7.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -19.511 2.464 -8.496 1.00 0.00 H new ATOM 1767 N GLY A 110 -24.684 1.380 -2.612 1.00 0.00 N ATOM 1768 CA GLY A 110 -25.344 0.321 -1.860 1.00 0.00 C ATOM 1769 C GLY A 110 -24.366 -0.715 -1.317 1.00 0.00 C ATOM 1770 O GLY A 110 -24.423 -1.878 -1.715 1.00 0.00 O ATOM 0 H GLY A 110 -25.026 2.308 -2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -25.898 0.761 -1.031 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -26.072 -0.175 -2.502 1.00 0.00 H new ATOM 1774 N ASP A 111 -23.477 -0.278 -0.421 1.00 0.00 N ATOM 1775 CA ASP A 111 -22.441 -1.093 0.211 1.00 0.00 C ATOM 1776 C ASP A 111 -21.539 -1.811 -0.805 1.00 0.00 C ATOM 1777 O ASP A 111 -21.304 -3.013 -0.717 1.00 0.00 O ATOM 1778 CB ASP A 111 -22.971 -1.926 1.400 1.00 0.00 C ATOM 1779 CG ASP A 111 -23.748 -3.211 1.118 1.00 0.00 C ATOM 1780 OD1 ASP A 111 -23.115 -4.288 1.012 1.00 0.00 O ATOM 1781 OD2 ASP A 111 -24.992 -3.197 1.273 1.00 0.00 O ATOM 0 H ASP A 111 -23.460 0.692 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 111 -21.740 -0.416 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -22.117 -2.189 2.024 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -23.613 -1.277 1.995 1.00 0.00 H new ATOM 1786 N ALA A 112 -20.947 -1.043 -1.728 1.00 0.00 N ATOM 1787 CA ALA A 112 -19.955 -1.529 -2.691 1.00 0.00 C ATOM 1788 C ALA A 112 -18.573 -0.917 -2.456 1.00 0.00 C ATOM 1789 O ALA A 112 -17.574 -1.637 -2.499 1.00 0.00 O ATOM 1790 CB ALA A 112 -20.416 -1.251 -4.121 1.00 0.00 C ATOM 0 H ALA A 112 -21.149 -0.048 -1.827 1.00 0.00 H new ATOM 0 HA ALA A 112 -19.867 -2.605 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -19.667 -1.619 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -21.364 -1.758 -4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -20.547 -0.178 -4.259 1.00 0.00 H new ATOM 1796 N LEU A 113 -18.495 0.393 -2.174 1.00 0.00 N ATOM 1797 CA LEU A 113 -17.236 1.101 -1.914 1.00 0.00 C ATOM 1798 C LEU A 113 -16.388 0.348 -0.893 1.00 0.00 C ATOM 1799 O LEU A 113 -15.189 0.159 -1.095 1.00 0.00 O ATOM 1800 CB LEU A 113 -17.536 2.526 -1.389 1.00 0.00 C ATOM 1801 CG LEU A 113 -17.070 3.678 -2.289 1.00 0.00 C ATOM 1802 CD1 LEU A 113 -17.723 3.614 -3.668 1.00 0.00 C ATOM 1803 CD2 LEU A 113 -17.472 4.990 -1.614 1.00 0.00 C ATOM 0 H LEU A 113 -19.316 0.996 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 113 -16.678 1.163 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -18.612 2.619 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -17.066 2.640 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 113 -15.991 3.607 -2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -17.369 4.446 -4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -17.461 2.673 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -18.806 3.678 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -17.153 5.830 -2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -18.555 5.020 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -16.995 5.057 -0.636 1.00 0.00 H new ATOM 1815 N ASN A 114 -17.026 -0.065 0.202 1.00 0.00 N ATOM 1816 CA ASN A 114 -16.413 -0.745 1.336 1.00 0.00 C ATOM 1817 C ASN A 114 -16.067 -2.184 0.976 1.00 0.00 C ATOM 1818 O ASN A 114 -14.991 -2.645 1.352 1.00 0.00 O ATOM 1819 CB ASN A 114 -17.344 -0.739 2.567 1.00 0.00 C ATOM 1820 CG ASN A 114 -18.194 0.519 2.659 1.00 0.00 C ATOM 1821 OD1 ASN A 114 -19.228 0.595 1.999 1.00 0.00 O ATOM 1822 ND2 ASN A 114 -17.764 1.550 3.368 1.00 0.00 N ATOM 0 H ASN A 114 -18.029 0.073 0.325 1.00 0.00 H new ATOM 0 HA ASN A 114 -15.501 -0.202 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -17.997 -1.611 2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -16.743 -0.832 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -18.292 2.422 3.372 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -16.904 1.472 3.911 1.00 0.00 H new ATOM 1829 N LYS A 115 -16.944 -2.871 0.230 1.00 0.00 N ATOM 1830 CA LYS A 115 -16.738 -4.245 -0.218 1.00 0.00 C ATOM 1831 C LYS A 115 -15.394 -4.352 -0.920 1.00 0.00 C ATOM 1832 O LYS A 115 -14.606 -5.222 -0.569 1.00 0.00 O ATOM 1833 CB LYS A 115 -17.913 -4.707 -1.107 1.00 0.00 C ATOM 1834 CG LYS A 115 -17.981 -6.232 -1.314 1.00 0.00 C ATOM 1835 CD LYS A 115 -17.068 -6.770 -2.425 1.00 0.00 C ATOM 1836 CE LYS A 115 -17.654 -6.549 -3.823 1.00 0.00 C ATOM 1837 NZ LYS A 115 -18.626 -7.599 -4.177 1.00 0.00 N ATOM 0 H LYS A 115 -17.831 -2.475 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.717 -4.917 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.848 -4.369 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -17.832 -4.222 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.719 -6.724 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -19.010 -6.508 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.096 -6.281 -2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.900 -7.836 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.140 -5.574 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -16.849 -6.535 -4.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.002 -7.417 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.156 -8.527 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -19.407 -7.595 -3.490 1.00 0.00 H new ATOM 1851 N ALA A 116 -15.097 -3.438 -1.844 1.00 0.00 N ATOM 1852 CA ALA A 116 -13.843 -3.447 -2.582 1.00 0.00 C ATOM 1853 C ALA A 116 -12.624 -3.450 -1.645 1.00 0.00 C ATOM 1854 O ALA A 116 -11.630 -4.101 -1.951 1.00 0.00 O ATOM 1855 CB ALA A 116 -13.810 -2.244 -3.526 1.00 0.00 C ATOM 0 H ALA A 116 -15.721 -2.673 -2.099 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.788 -4.367 -3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -12.873 -2.244 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.646 -2.305 -4.223 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.888 -1.324 -2.946 1.00 0.00 H new ATOM 1861 N VAL A 117 -12.667 -2.724 -0.520 1.00 0.00 N ATOM 1862 CA VAL A 117 -11.594 -2.734 0.478 1.00 0.00 C ATOM 1863 C VAL A 117 -11.364 -4.176 0.961 1.00 0.00 C ATOM 1864 O VAL A 117 -10.218 -4.624 1.030 1.00 0.00 O ATOM 1865 CB VAL A 117 -11.896 -1.803 1.671 1.00 0.00 C ATOM 1866 CG1 VAL A 117 -10.620 -1.574 2.489 1.00 0.00 C ATOM 1867 CG2 VAL A 117 -12.451 -0.423 1.284 1.00 0.00 C ATOM 0 H VAL A 117 -13.448 -2.114 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 117 -10.689 -2.353 0.006 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.670 -2.318 2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -10.840 -0.916 3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.251 -2.529 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -9.860 -1.114 1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.633 0.162 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.728 0.096 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.386 -0.547 0.737 1.00 0.00 H new ATOM 1877 N ARG A 118 -12.449 -4.869 1.327 1.00 0.00 N ATOM 1878 CA ARG A 118 -12.430 -6.196 1.936 1.00 0.00 C ATOM 1879 C ARG A 118 -11.696 -7.191 1.027 1.00 0.00 C ATOM 1880 O ARG A 118 -10.837 -7.920 1.518 1.00 0.00 O ATOM 1881 CB ARG A 118 -13.871 -6.597 2.374 1.00 0.00 C ATOM 1882 CG ARG A 118 -14.571 -7.683 1.537 1.00 0.00 C ATOM 1883 CD ARG A 118 -16.102 -7.727 1.684 1.00 0.00 C ATOM 1884 NE ARG A 118 -16.571 -8.492 2.845 1.00 0.00 N ATOM 1885 CZ ARG A 118 -17.851 -8.780 3.123 1.00 0.00 C ATOM 1886 NH1 ARG A 118 -18.863 -8.219 2.472 1.00 0.00 N ATOM 1887 NH2 ARG A 118 -18.116 -9.655 4.077 1.00 0.00 N ATOM 0 H ARG A 118 -13.394 -4.506 1.201 1.00 0.00 H new ATOM 0 HA ARG A 118 -11.849 -6.200 2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -13.830 -6.939 3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -14.493 -5.702 2.359 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -14.326 -7.526 0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -14.165 -8.655 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -16.478 -6.707 1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -16.531 -8.160 0.780 1.00 0.00 H new ATOM 0 HE ARG A 118 -15.864 -8.834 3.496 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -18.680 -7.543 1.731 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -19.823 -8.465 2.713 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -17.353 -10.099 4.588 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -19.083 -9.886 4.302 1.00 0.00 H new ATOM 1901 N GLU A 119 -11.978 -7.190 -0.281 1.00 0.00 N ATOM 1902 CA GLU A 119 -11.403 -8.184 -1.185 1.00 0.00 C ATOM 1903 C GLU A 119 -9.948 -7.858 -1.493 1.00 0.00 C ATOM 1904 O GLU A 119 -9.101 -8.755 -1.522 1.00 0.00 O ATOM 1905 CB GLU A 119 -12.129 -8.280 -2.530 1.00 0.00 C ATOM 1906 CG GLU A 119 -13.657 -8.241 -2.472 1.00 0.00 C ATOM 1907 CD GLU A 119 -14.279 -8.812 -3.748 1.00 0.00 C ATOM 1908 OE1 GLU A 119 -13.979 -9.971 -4.103 1.00 0.00 O ATOM 1909 OE2 GLU A 119 -15.098 -8.121 -4.397 1.00 0.00 O ATOM 0 H GLU A 119 -12.597 -6.516 -0.732 1.00 0.00 H new ATOM 0 HA GLU A 119 -11.504 -9.133 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -11.788 -7.461 -3.163 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -11.827 -9.207 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.004 -8.810 -1.610 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -13.991 -7.213 -2.331 1.00 0.00 H new ATOM 1916 N THR A 120 -9.636 -6.591 -1.790 1.00 0.00 N ATOM 1917 CA THR A 120 -8.279 -6.240 -2.189 1.00 0.00 C ATOM 1918 C THR A 120 -7.305 -6.510 -1.032 1.00 0.00 C ATOM 1919 O THR A 120 -6.137 -6.811 -1.278 1.00 0.00 O ATOM 1920 CB THR A 120 -8.231 -4.784 -2.674 1.00 0.00 C ATOM 1921 OG1 THR A 120 -9.266 -4.506 -3.595 1.00 0.00 O ATOM 1922 CG2 THR A 120 -6.938 -4.438 -3.408 1.00 0.00 C ATOM 0 H THR A 120 -10.292 -5.811 -1.761 1.00 0.00 H new ATOM 0 HA THR A 120 -7.966 -6.865 -3.025 1.00 0.00 H new ATOM 0 HB THR A 120 -8.324 -4.197 -1.760 1.00 0.00 H new ATOM 0 HG1 THR A 120 -10.105 -4.358 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 120 -6.967 -3.395 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.089 -4.591 -2.742 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.833 -5.080 -4.283 1.00 0.00 H new ATOM 1930 N ALA A 121 -7.770 -6.457 0.223 1.00 0.00 N ATOM 1931 CA ALA A 121 -6.910 -6.682 1.371 1.00 0.00 C ATOM 1932 C ALA A 121 -6.355 -8.110 1.405 1.00 0.00 C ATOM 1933 O ALA A 121 -5.199 -8.271 1.789 1.00 0.00 O ATOM 1934 CB ALA A 121 -7.655 -6.339 2.666 1.00 0.00 C ATOM 0 H ALA A 121 -8.742 -6.259 0.460 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.050 -6.018 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -7.000 -6.512 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -7.956 -5.292 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -8.540 -6.969 2.755 1.00 0.00 H new ATOM 1940 N HIS A 122 -7.126 -9.118 0.980 1.00 0.00 N ATOM 1941 CA HIS A 122 -6.638 -10.494 0.883 1.00 0.00 C ATOM 1942 C HIS A 122 -5.447 -10.547 -0.080 1.00 0.00 C ATOM 1943 O HIS A 122 -4.345 -10.921 0.312 1.00 0.00 O ATOM 1944 CB HIS A 122 -7.765 -11.427 0.408 1.00 0.00 C ATOM 1945 CG HIS A 122 -8.656 -11.941 1.511 1.00 0.00 C ATOM 1946 ND1 HIS A 122 -8.483 -13.125 2.196 1.00 0.00 N ATOM 1947 CD2 HIS A 122 -9.825 -11.375 1.942 1.00 0.00 C ATOM 1948 CE1 HIS A 122 -9.524 -13.270 3.033 1.00 0.00 C ATOM 1949 NE2 HIS A 122 -10.378 -12.235 2.901 1.00 0.00 N ATOM 0 H HIS A 122 -8.099 -9.002 0.696 1.00 0.00 H new ATOM 0 HA HIS A 122 -6.312 -10.832 1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.378 -10.895 -0.319 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.322 -12.277 -0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -10.244 -10.438 1.605 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -9.658 -14.097 3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -11.257 -12.103 3.402 1.00 0.00 H new ATOM 1957 N GLU A 123 -5.657 -10.087 -1.317 1.00 0.00 N ATOM 1958 CA GLU A 123 -4.639 -10.023 -2.366 1.00 0.00 C ATOM 1959 C GLU A 123 -3.405 -9.235 -1.925 1.00 0.00 C ATOM 1960 O GLU A 123 -2.296 -9.510 -2.382 1.00 0.00 O ATOM 1961 CB GLU A 123 -5.240 -9.328 -3.594 1.00 0.00 C ATOM 1962 CG GLU A 123 -6.077 -10.281 -4.445 1.00 0.00 C ATOM 1963 CD GLU A 123 -5.202 -11.135 -5.357 1.00 0.00 C ATOM 1964 OE1 GLU A 123 -4.651 -12.153 -4.904 1.00 0.00 O ATOM 1965 OE2 GLU A 123 -5.044 -10.749 -6.539 1.00 0.00 O ATOM 0 H GLU A 123 -6.566 -9.740 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 123 -4.329 -11.043 -2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.861 -8.493 -3.269 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -4.437 -8.910 -4.202 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -6.666 -10.928 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.781 -9.708 -5.048 1.00 0.00 H new ATOM 1972 N THR A 124 -3.595 -8.247 -1.052 1.00 0.00 N ATOM 1973 CA THR A 124 -2.493 -7.491 -0.506 1.00 0.00 C ATOM 1974 C THR A 124 -1.643 -8.385 0.387 1.00 0.00 C ATOM 1975 O THR A 124 -0.434 -8.432 0.187 1.00 0.00 O ATOM 1976 CB THR A 124 -3.011 -6.235 0.194 1.00 0.00 C ATOM 1977 OG1 THR A 124 -3.798 -5.489 -0.706 1.00 0.00 O ATOM 1978 CG2 THR A 124 -1.832 -5.348 0.610 1.00 0.00 C ATOM 0 H THR A 124 -4.512 -7.958 -0.712 1.00 0.00 H new ATOM 0 HA THR A 124 -1.839 -7.144 -1.306 1.00 0.00 H new ATOM 0 HB THR A 124 -3.591 -6.537 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 124 -4.647 -5.954 -0.862 1.00 0.00 H new ATOM 0 HG21 THR A 124 -2.207 -4.454 1.108 1.00 0.00 H new ATOM 0 HG22 THR A 124 -1.185 -5.899 1.292 1.00 0.00 H new ATOM 0 HG23 THR A 124 -1.264 -5.059 -0.274 1.00 0.00 H new ATOM 1986 N ILE A 125 -2.232 -9.083 1.360 1.00 0.00 N ATOM 1987 CA ILE A 125 -1.481 -9.956 2.261 1.00 0.00 C ATOM 1988 C ILE A 125 -0.801 -11.084 1.488 1.00 0.00 C ATOM 1989 O ILE A 125 0.333 -11.441 1.834 1.00 0.00 O ATOM 1990 CB ILE A 125 -2.399 -10.464 3.387 1.00 0.00 C ATOM 1991 CG1 ILE A 125 -2.939 -9.287 4.219 1.00 0.00 C ATOM 1992 CG2 ILE A 125 -1.715 -11.455 4.334 1.00 0.00 C ATOM 1993 CD1 ILE A 125 -1.906 -8.274 4.712 1.00 0.00 C ATOM 0 H ILE A 125 -3.235 -9.059 1.544 1.00 0.00 H new ATOM 0 HA ILE A 125 -0.679 -9.387 2.732 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.212 -10.990 2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.679 -8.756 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.461 -9.692 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.421 -11.771 5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.380 -12.325 3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -0.857 -10.975 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -2.407 -7.493 5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.176 -8.778 5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.398 -7.827 3.857 1.00 0.00 H new ATOM 2005 N SER A 126 -1.431 -11.561 0.414 1.00 0.00 N ATOM 2006 CA SER A 126 -0.811 -12.487 -0.512 1.00 0.00 C ATOM 2007 C SER A 126 0.535 -11.936 -0.994 1.00 0.00 C ATOM 2008 O SER A 126 1.509 -12.676 -0.974 1.00 0.00 O ATOM 2009 CB SER A 126 -1.776 -12.815 -1.655 1.00 0.00 C ATOM 2010 OG SER A 126 -1.279 -13.898 -2.405 1.00 0.00 O ATOM 0 H SER A 126 -2.389 -11.310 0.168 1.00 0.00 H new ATOM 0 HA SER A 126 -0.596 -13.428 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.759 -13.060 -1.254 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.902 -11.944 -2.298 1.00 0.00 H new ATOM 0 HG SER A 126 -1.901 -14.104 -3.134 1.00 0.00 H new ATOM 2016 N ALA A 127 0.648 -10.656 -1.367 1.00 0.00 N ATOM 2017 CA ALA A 127 1.936 -10.069 -1.724 1.00 0.00 C ATOM 2018 C ALA A 127 2.802 -9.875 -0.484 1.00 0.00 C ATOM 2019 O ALA A 127 3.984 -10.209 -0.540 1.00 0.00 O ATOM 2020 CB ALA A 127 1.713 -8.734 -2.420 1.00 0.00 C ATOM 0 H ALA A 127 -0.139 -10.010 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 127 2.455 -10.748 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.676 -8.297 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 127 1.123 -8.889 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 127 1.181 -8.059 -1.750 1.00 0.00 H new ATOM 2026 N ILE A 128 2.265 -9.324 0.621 1.00 0.00 N ATOM 2027 CA ILE A 128 3.055 -8.999 1.813 1.00 0.00 C ATOM 2028 C ILE A 128 3.874 -10.205 2.269 1.00 0.00 C ATOM 2029 O ILE A 128 5.034 -10.011 2.632 1.00 0.00 O ATOM 2030 CB ILE A 128 2.206 -8.412 2.968 1.00 0.00 C ATOM 2031 CG1 ILE A 128 1.576 -7.067 2.545 1.00 0.00 C ATOM 2032 CG2 ILE A 128 3.080 -8.224 4.222 1.00 0.00 C ATOM 2033 CD1 ILE A 128 0.910 -6.287 3.683 1.00 0.00 C ATOM 0 H ILE A 128 1.275 -9.094 0.708 1.00 0.00 H new ATOM 0 HA ILE A 128 3.745 -8.207 1.523 1.00 0.00 H new ATOM 0 HB ILE A 128 1.402 -9.110 3.201 1.00 0.00 H new ATOM 0 HG12 ILE A 128 2.350 -6.443 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.834 -7.257 1.770 1.00 0.00 H new ATOM 0 HG21 ILE A 128 2.475 -7.811 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.486 -9.187 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.898 -7.541 3.996 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.496 -5.357 3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.110 -6.887 4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.650 -6.061 4.451 1.00 0.00 H new ATOM 2045 N PHE A 129 3.327 -11.421 2.243 1.00 0.00 N ATOM 2046 CA PHE A 129 4.065 -12.604 2.667 1.00 0.00 C ATOM 2047 C PHE A 129 4.564 -13.426 1.490 1.00 0.00 C ATOM 2048 O PHE A 129 5.658 -13.983 1.587 1.00 0.00 O ATOM 2049 CB PHE A 129 3.235 -13.414 3.664 1.00 0.00 C ATOM 2050 CG PHE A 129 3.020 -12.659 4.965 1.00 0.00 C ATOM 2051 CD1 PHE A 129 1.951 -11.752 5.088 1.00 0.00 C ATOM 2052 CD2 PHE A 129 3.914 -12.826 6.039 1.00 0.00 C ATOM 2053 CE1 PHE A 129 1.768 -11.026 6.279 1.00 0.00 C ATOM 2054 CE2 PHE A 129 3.726 -12.106 7.232 1.00 0.00 C ATOM 2055 CZ PHE A 129 2.653 -11.207 7.354 1.00 0.00 C ATOM 0 H PHE A 129 2.374 -11.609 1.932 1.00 0.00 H new ATOM 0 HA PHE A 129 4.968 -12.280 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.269 -13.656 3.221 1.00 0.00 H new ATOM 0 HB3 PHE A 129 3.737 -14.359 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 129 1.267 -11.613 4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.746 -13.508 5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.947 -10.330 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 129 4.409 -12.244 8.057 1.00 0.00 H new ATOM 0 HZ PHE A 129 2.509 -10.657 8.272 1.00 0.00 H new ATOM 2065 N SER A 130 3.804 -13.486 0.392 1.00 0.00 N ATOM 2066 CA SER A 130 4.136 -14.214 -0.832 1.00 0.00 C ATOM 2067 C SER A 130 4.413 -15.712 -0.561 1.00 0.00 C ATOM 2068 O SER A 130 4.956 -16.424 -1.407 1.00 0.00 O ATOM 2069 CB SER A 130 5.205 -13.371 -1.559 1.00 0.00 C ATOM 2070 OG SER A 130 5.676 -13.923 -2.766 1.00 0.00 O ATOM 0 H SER A 130 2.905 -13.009 0.332 1.00 0.00 H new ATOM 0 HA SER A 130 3.305 -14.312 -1.530 1.00 0.00 H new ATOM 0 HB2 SER A 130 4.790 -12.384 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.052 -13.227 -0.888 1.00 0.00 H new ATOM 0 HG SER A 130 5.633 -14.901 -2.717 1.00 0.00 H new