USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 735 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 64 HIS : no HE2:sc= -15.2! C(o=-16!,f=-16!) USER MOD Set 1.2: B 5 SER OG : rot 110:sc= -0.599 USER MOD Set 2.1: A 17 SER OG : rot 106:sc= -4.12! USER MOD Set 2.2: A 32 LYS NZ :NH3+ 161:sc= -1.57 (180deg=-3.24!) USER MOD Single : A 1 ARG N :NH3+ -116:sc= 0.105 (180deg=-0.129) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.716 F(o=-1.3!,f=-0.72) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -134:sc= -11.5! (180deg=-13.5!) USER MOD Single : A 31 SER OG : rot -23:sc= -0.0735 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -0.168 F(o=-2.4,f=-0.17) USER MOD Single : A 42 THR OG1 : rot -31:sc= 0.824 USER MOD Single : A 53 SER OG : rot -110:sc= -2.7! USER MOD Single : A 55 ASN :FLIP amide:sc= 0.503 F(o=-0.6,f=0.5) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0774 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -170:sc= -0.0157 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 90:sc= 0.541 USER MOD Single : A 85 MET CE :methyl 158:sc= -0.63 (180deg=-1.39) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.908 -18.670 7.719 1.00 0.00 N ATOM 2 CA ARG A 1 -6.489 -17.387 8.354 1.00 0.00 C ATOM 3 C ARG A 1 -4.967 -17.258 8.334 1.00 0.00 C ATOM 4 O ARG A 1 -4.261 -18.138 7.882 1.00 0.00 O ATOM 5 CB ARG A 1 -7.001 -17.466 9.792 1.00 0.00 C ATOM 6 CG ARG A 1 -8.508 -17.206 9.811 1.00 0.00 C ATOM 7 CD ARG A 1 -9.188 -18.216 10.739 1.00 0.00 C ATOM 8 NE ARG A 1 -8.984 -17.672 12.112 1.00 0.00 N ATOM 9 CZ ARG A 1 -8.635 -18.468 13.085 1.00 0.00 C ATOM 10 NH1 ARG A 1 -7.377 -18.766 13.264 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.543 -18.966 13.878 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.462 -18.469 6.862 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.065 -19.223 7.464 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.490 -19.214 8.387 1.00 0.00 H new ATOM 0 HA ARG A 1 -6.888 -16.520 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.785 -18.448 10.213 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.487 -16.733 10.413 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -8.708 -16.190 10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -8.915 -17.290 8.803 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -10.248 -18.315 10.507 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -8.746 -19.207 10.637 1.00 0.00 H new ATOM 0 HE ARG A 1 -9.117 -16.677 12.291 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -6.667 -18.377 12.643 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -7.104 -19.388 14.025 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -10.526 -18.733 13.737 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -9.270 -19.588 14.639 1.00 0.00 H new ATOM 27 N ARG A 2 -4.462 -16.158 8.812 1.00 0.00 N ATOM 28 CA ARG A 2 -2.989 -15.951 8.816 1.00 0.00 C ATOM 29 C ARG A 2 -2.618 -14.892 9.860 1.00 0.00 C ATOM 30 O ARG A 2 -3.361 -13.962 10.102 1.00 0.00 O ATOM 31 CB ARG A 2 -2.675 -15.467 7.396 1.00 0.00 C ATOM 32 CG ARG A 2 -1.219 -15.014 7.303 1.00 0.00 C ATOM 33 CD ARG A 2 -0.455 -15.954 6.380 1.00 0.00 C ATOM 34 NE ARG A 2 0.936 -15.943 6.909 1.00 0.00 N ATOM 35 CZ ARG A 2 1.663 -17.025 6.863 1.00 0.00 C ATOM 36 NH1 ARG A 2 1.430 -18.002 7.696 1.00 0.00 N ATOM 37 NH2 ARG A 2 2.622 -17.131 5.985 1.00 0.00 N ATOM 0 H ARG A 2 -5.008 -15.390 9.202 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.427 -16.849 9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.860 -16.269 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.337 -14.643 7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.168 -13.993 6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.764 -15.010 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.878 -16.958 6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.490 -15.611 5.346 1.00 0.00 H new ATOM 0 HE ARG A 2 1.322 -15.087 7.308 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.680 -17.919 8.382 1.00 0.00 H new ATOM 0 HH12 ARG A 2 1.998 -18.849 7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 2 2.804 -16.367 5.334 1.00 0.00 H new ATOM 0 HH22 ARG A 2 3.190 -17.978 5.950 1.00 0.00 H new ATOM 51 N ARG A 3 -1.480 -15.023 10.482 1.00 0.00 N ATOM 52 CA ARG A 3 -1.076 -14.017 11.506 1.00 0.00 C ATOM 53 C ARG A 3 0.289 -13.422 11.156 1.00 0.00 C ATOM 54 O ARG A 3 1.239 -14.133 10.895 1.00 0.00 O ATOM 55 CB ARG A 3 -1.003 -14.798 12.820 1.00 0.00 C ATOM 56 CG ARG A 3 -2.260 -14.522 13.645 1.00 0.00 C ATOM 57 CD ARG A 3 -2.690 -15.801 14.364 1.00 0.00 C ATOM 58 NE ARG A 3 -4.143 -15.617 14.637 1.00 0.00 N ATOM 59 CZ ARG A 3 -4.646 -15.996 15.780 1.00 0.00 C ATOM 60 NH1 ARG A 3 -4.499 -15.247 16.838 1.00 0.00 N ATOM 61 NH2 ARG A 3 -5.296 -17.125 15.864 1.00 0.00 N ATOM 0 H ARG A 3 -0.814 -15.780 10.327 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.776 -13.184 11.565 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -0.915 -15.865 12.617 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -0.115 -14.506 13.381 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.065 -13.732 14.371 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.063 -14.169 12.997 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -2.513 -16.681 13.745 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.129 -15.943 15.288 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.745 -15.195 13.930 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.991 -14.365 16.772 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.892 -15.543 17.731 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.410 -17.710 15.037 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.689 -17.422 16.757 1.00 0.00 H new ATOM 75 N VAL A 4 0.395 -12.120 11.143 1.00 0.00 N ATOM 76 CA VAL A 4 1.700 -11.485 10.805 1.00 0.00 C ATOM 77 C VAL A 4 2.085 -10.457 11.872 1.00 0.00 C ATOM 78 O VAL A 4 1.320 -9.571 12.202 1.00 0.00 O ATOM 79 CB VAL A 4 1.467 -10.799 9.459 1.00 0.00 C ATOM 80 CG1 VAL A 4 2.720 -10.016 9.059 1.00 0.00 C ATOM 81 CG2 VAL A 4 1.168 -11.856 8.394 1.00 0.00 C ATOM 0 H VAL A 4 -0.364 -11.471 11.351 1.00 0.00 H new ATOM 0 HA VAL A 4 2.512 -12.211 10.760 1.00 0.00 H new ATOM 0 HB VAL A 4 0.622 -10.115 9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.553 -9.527 8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.936 -9.263 9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.565 -10.699 8.976 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.002 -11.368 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.013 -12.539 8.312 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.276 -12.415 8.676 1.00 0.00 H new ATOM 91 N THR A 5 3.269 -10.563 12.408 1.00 0.00 N ATOM 92 CA THR A 5 3.710 -9.588 13.444 1.00 0.00 C ATOM 93 C THR A 5 4.884 -8.763 12.911 1.00 0.00 C ATOM 94 O THR A 5 5.830 -9.295 12.366 1.00 0.00 O ATOM 95 CB THR A 5 4.149 -10.442 14.640 1.00 0.00 C ATOM 96 OG1 THR A 5 3.013 -11.086 15.199 1.00 0.00 O ATOM 97 CG2 THR A 5 4.805 -9.553 15.702 1.00 0.00 C ATOM 0 H THR A 5 3.951 -11.284 12.173 1.00 0.00 H new ATOM 0 HA THR A 5 2.921 -8.888 13.719 1.00 0.00 H new ATOM 0 HB THR A 5 4.868 -11.189 14.305 1.00 0.00 H new ATOM 0 HG1 THR A 5 3.290 -11.634 15.963 1.00 0.00 H new ATOM 0 HG21 THR A 5 5.114 -10.166 16.549 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.677 -9.058 15.274 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.091 -8.802 16.039 1.00 0.00 H new ATOM 105 N VAL A 6 4.834 -7.469 13.066 1.00 0.00 N ATOM 106 CA VAL A 6 5.956 -6.623 12.568 1.00 0.00 C ATOM 107 C VAL A 6 6.543 -5.795 13.710 1.00 0.00 C ATOM 108 O VAL A 6 5.925 -4.874 14.207 1.00 0.00 O ATOM 109 CB VAL A 6 5.344 -5.714 11.503 1.00 0.00 C ATOM 110 CG1 VAL A 6 6.412 -4.750 10.979 1.00 0.00 C ATOM 111 CG2 VAL A 6 4.823 -6.567 10.349 1.00 0.00 C ATOM 0 H VAL A 6 4.070 -6.963 13.513 1.00 0.00 H new ATOM 0 HA VAL A 6 6.769 -7.225 12.161 1.00 0.00 H new ATOM 0 HB VAL A 6 4.522 -5.145 11.938 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.976 -4.102 10.219 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.789 -4.142 11.802 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.233 -5.319 10.542 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.386 -5.921 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.647 -7.134 9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.064 -7.256 10.720 1.00 0.00 H new ATOM 121 N ARG A 7 7.736 -6.114 14.126 1.00 0.00 N ATOM 122 CA ARG A 7 8.369 -5.344 15.232 1.00 0.00 C ATOM 123 C ARG A 7 8.777 -3.960 14.724 1.00 0.00 C ATOM 124 O ARG A 7 9.930 -3.705 14.437 1.00 0.00 O ATOM 125 CB ARG A 7 9.600 -6.158 15.634 1.00 0.00 C ATOM 126 CG ARG A 7 9.173 -7.370 16.468 1.00 0.00 C ATOM 127 CD ARG A 7 9.148 -8.619 15.583 1.00 0.00 C ATOM 128 NE ARG A 7 10.546 -8.761 15.085 1.00 0.00 N ATOM 129 CZ ARG A 7 11.400 -9.502 15.739 1.00 0.00 C ATOM 130 NH1 ARG A 7 11.137 -10.761 15.960 1.00 0.00 N ATOM 131 NH2 ARG A 7 12.517 -8.983 16.170 1.00 0.00 N ATOM 0 H ARG A 7 8.300 -6.875 13.748 1.00 0.00 H new ATOM 0 HA ARG A 7 7.697 -5.194 16.077 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.135 -6.488 14.744 1.00 0.00 H new ATOM 0 HB3 ARG A 7 10.288 -5.535 16.207 1.00 0.00 H new ATOM 0 HG2 ARG A 7 9.864 -7.514 17.299 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.187 -7.198 16.900 1.00 0.00 H new ATOM 0 HD2 ARG A 7 8.838 -9.498 16.148 1.00 0.00 H new ATOM 0 HD3 ARG A 7 8.444 -8.506 14.759 1.00 0.00 H new ATOM 0 HE ARG A 7 10.836 -8.280 14.234 1.00 0.00 H new ATOM 0 HH11 ARG A 7 10.264 -11.167 15.622 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.804 -11.339 16.471 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.723 -7.999 15.996 1.00 0.00 H new ATOM 0 HH22 ARG A 7 13.184 -9.561 16.681 1.00 0.00 H new ATOM 145 N LYS A 8 7.833 -3.063 14.606 1.00 0.00 N ATOM 146 CA LYS A 8 8.149 -1.690 14.110 1.00 0.00 C ATOM 147 C LYS A 8 9.374 -1.119 14.833 1.00 0.00 C ATOM 148 O LYS A 8 9.700 -1.518 15.934 1.00 0.00 O ATOM 149 CB LYS A 8 6.905 -0.860 14.433 1.00 0.00 C ATOM 150 CG LYS A 8 6.214 -0.443 13.134 1.00 0.00 C ATOM 151 CD LYS A 8 6.801 0.885 12.649 1.00 0.00 C ATOM 152 CE LYS A 8 5.679 1.763 12.086 1.00 0.00 C ATOM 153 NZ LYS A 8 5.581 2.911 13.032 1.00 0.00 N ATOM 0 H LYS A 8 6.852 -3.223 14.833 1.00 0.00 H new ATOM 0 HA LYS A 8 8.385 -1.686 13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.220 -1.439 15.051 1.00 0.00 H new ATOM 0 HB3 LYS A 8 7.184 0.023 15.008 1.00 0.00 H new ATOM 0 HG2 LYS A 8 6.350 -1.212 12.374 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.141 -0.341 13.296 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.300 1.397 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.555 0.704 11.883 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.911 2.102 11.076 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.738 1.215 12.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.832 3.559 12.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.353 2.558 13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.489 3.417 13.059 1.00 0.00 H new ATOM 167 N ALA A 9 10.054 -0.190 14.220 1.00 0.00 N ATOM 168 CA ALA A 9 11.256 0.405 14.870 1.00 0.00 C ATOM 169 C ALA A 9 10.885 1.716 15.568 1.00 0.00 C ATOM 170 O ALA A 9 9.724 2.036 15.733 1.00 0.00 O ATOM 171 CB ALA A 9 12.235 0.667 13.725 1.00 0.00 C ATOM 0 H ALA A 9 9.830 0.183 13.297 1.00 0.00 H new ATOM 0 HA ALA A 9 11.682 -0.250 15.630 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.150 1.107 14.122 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.471 -0.273 13.226 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.783 1.354 13.010 1.00 0.00 H new ATOM 177 N ASP A 10 11.861 2.476 15.982 1.00 0.00 N ATOM 178 CA ASP A 10 11.563 3.765 16.669 1.00 0.00 C ATOM 179 C ASP A 10 10.886 4.739 15.698 1.00 0.00 C ATOM 180 O ASP A 10 9.928 5.403 16.038 1.00 0.00 O ATOM 181 CB ASP A 10 12.926 4.306 17.103 1.00 0.00 C ATOM 182 CG ASP A 10 13.189 3.922 18.560 1.00 0.00 C ATOM 183 OD1 ASP A 10 12.783 4.671 19.433 1.00 0.00 O ATOM 184 OD2 ASP A 10 13.794 2.885 18.778 1.00 0.00 O ATOM 0 H ASP A 10 12.852 2.261 15.874 1.00 0.00 H new ATOM 0 HA ASP A 10 10.886 3.635 17.514 1.00 0.00 H new ATOM 0 HB2 ASP A 10 13.710 3.902 16.462 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.951 5.390 16.992 1.00 0.00 H new ATOM 189 N ALA A 11 11.378 4.827 14.492 1.00 0.00 N ATOM 190 CA ALA A 11 10.763 5.757 13.502 1.00 0.00 C ATOM 191 C ALA A 11 11.267 5.436 12.092 1.00 0.00 C ATOM 192 O ALA A 11 12.451 5.460 11.824 1.00 0.00 O ATOM 193 CB ALA A 11 11.219 7.151 13.933 1.00 0.00 C ATOM 0 H ALA A 11 12.179 4.296 14.150 1.00 0.00 H new ATOM 0 HA ALA A 11 9.676 5.675 13.476 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.807 7.895 13.252 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.868 7.352 14.945 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.308 7.201 13.910 1.00 0.00 H new ATOM 199 N GLY A 12 10.375 5.132 11.188 1.00 0.00 N ATOM 200 CA GLY A 12 10.799 4.808 9.796 1.00 0.00 C ATOM 201 C GLY A 12 9.566 4.736 8.891 1.00 0.00 C ATOM 202 O GLY A 12 9.275 5.654 8.150 1.00 0.00 O ATOM 0 H GLY A 12 9.369 5.094 11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.489 5.567 9.429 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.332 3.857 9.779 1.00 0.00 H new ATOM 206 N GLY A 13 8.840 3.653 8.945 1.00 0.00 N ATOM 207 CA GLY A 13 7.627 3.524 8.088 1.00 0.00 C ATOM 208 C GLY A 13 7.198 2.057 8.029 1.00 0.00 C ATOM 209 O GLY A 13 7.940 1.168 8.398 1.00 0.00 O ATOM 0 H GLY A 13 9.034 2.852 9.546 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.818 4.135 8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 13 7.837 3.893 7.084 1.00 0.00 H new ATOM 213 N LEU A 14 6.005 1.794 7.569 1.00 0.00 N ATOM 214 CA LEU A 14 5.534 0.381 7.490 1.00 0.00 C ATOM 215 C LEU A 14 5.444 -0.070 6.029 1.00 0.00 C ATOM 216 O LEU A 14 5.483 -1.247 5.733 1.00 0.00 O ATOM 217 CB LEU A 14 4.143 0.394 8.124 1.00 0.00 C ATOM 218 CG LEU A 14 4.039 -0.717 9.170 1.00 0.00 C ATOM 219 CD1 LEU A 14 2.922 -0.378 10.157 1.00 0.00 C ATOM 220 CD2 LEU A 14 3.718 -2.042 8.476 1.00 0.00 C ATOM 0 H LEU A 14 5.337 2.494 7.245 1.00 0.00 H new ATOM 0 HA LEU A 14 6.213 -0.306 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.954 1.362 8.588 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.382 0.255 7.356 1.00 0.00 H new ATOM 0 HG LEU A 14 4.985 -0.806 9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.845 -1.168 10.904 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.147 0.568 10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.977 -0.292 9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.644 -2.834 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.771 -1.954 7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.511 -2.283 7.768 1.00 0.00 H new ATOM 232 N GLY A 15 5.314 0.854 5.113 1.00 0.00 N ATOM 233 CA GLY A 15 5.211 0.466 3.677 1.00 0.00 C ATOM 234 C GLY A 15 4.040 -0.504 3.513 1.00 0.00 C ATOM 235 O GLY A 15 4.192 -1.701 3.645 1.00 0.00 O ATOM 0 H GLY A 15 5.275 1.856 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.059 1.350 3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.138 -0.001 3.345 1.00 0.00 H new ATOM 239 N ILE A 16 2.866 0.004 3.251 1.00 0.00 N ATOM 240 CA ILE A 16 1.684 -0.899 3.107 1.00 0.00 C ATOM 241 C ILE A 16 0.439 -0.096 2.713 1.00 0.00 C ATOM 242 O ILE A 16 0.005 0.784 3.428 1.00 0.00 O ATOM 243 CB ILE A 16 1.503 -1.537 4.498 1.00 0.00 C ATOM 244 CG1 ILE A 16 0.166 -2.282 4.569 1.00 0.00 C ATOM 245 CG2 ILE A 16 1.525 -0.452 5.581 1.00 0.00 C ATOM 246 CD1 ILE A 16 0.344 -3.566 5.374 1.00 0.00 C ATOM 0 H ILE A 16 2.673 0.998 3.131 1.00 0.00 H new ATOM 0 HA ILE A 16 1.829 -1.648 2.329 1.00 0.00 H new ATOM 0 HB ILE A 16 2.321 -2.238 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.591 -1.650 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.187 -2.515 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.396 -0.913 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.479 0.074 5.550 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.715 0.256 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.606 -4.098 5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.088 -4.199 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.678 -3.320 6.382 1.00 0.00 H new ATOM 258 N SER A 17 -0.150 -0.407 1.591 1.00 0.00 N ATOM 259 CA SER A 17 -1.375 0.328 1.171 1.00 0.00 C ATOM 260 C SER A 17 -2.577 -0.620 1.214 1.00 0.00 C ATOM 261 O SER A 17 -2.719 -1.500 0.388 1.00 0.00 O ATOM 262 CB SER A 17 -1.087 0.802 -0.253 1.00 0.00 C ATOM 263 OG SER A 17 0.281 1.155 -0.362 1.00 0.00 O ATOM 0 H SER A 17 0.163 -1.136 0.949 1.00 0.00 H new ATOM 0 HA SER A 17 -1.612 1.169 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.329 0.014 -0.967 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.716 1.658 -0.498 1.00 0.00 H new ATOM 0 HG SER A 17 0.758 0.464 -0.867 1.00 0.00 H new ATOM 269 N ILE A 18 -3.429 -0.459 2.191 1.00 0.00 N ATOM 270 CA ILE A 18 -4.608 -1.364 2.313 1.00 0.00 C ATOM 271 C ILE A 18 -5.755 -0.917 1.403 1.00 0.00 C ATOM 272 O ILE A 18 -5.852 0.235 1.028 1.00 0.00 O ATOM 273 CB ILE A 18 -5.019 -1.274 3.784 1.00 0.00 C ATOM 274 CG1 ILE A 18 -5.427 0.160 4.122 1.00 0.00 C ATOM 275 CG2 ILE A 18 -3.840 -1.681 4.671 1.00 0.00 C ATOM 276 CD1 ILE A 18 -6.377 0.133 5.319 1.00 0.00 C ATOM 0 H ILE A 18 -3.359 0.261 2.910 1.00 0.00 H new ATOM 0 HA ILE A 18 -4.366 -2.383 2.010 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.861 -1.943 3.959 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.546 0.759 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.913 0.626 3.265 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.134 -1.617 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.546 -2.705 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.999 -1.012 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.675 1.151 5.570 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.261 -0.453 5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.873 -0.318 6.174 1.00 0.00 H new ATOM 288 N LYS A 19 -6.627 -1.827 1.053 1.00 0.00 N ATOM 289 CA LYS A 19 -7.776 -1.465 0.173 1.00 0.00 C ATOM 290 C LYS A 19 -9.059 -2.111 0.702 1.00 0.00 C ATOM 291 O LYS A 19 -9.020 -3.097 1.410 1.00 0.00 O ATOM 292 CB LYS A 19 -7.418 -2.028 -1.200 1.00 0.00 C ATOM 293 CG LYS A 19 -6.518 -1.036 -1.940 1.00 0.00 C ATOM 294 CD LYS A 19 -6.503 -1.375 -3.431 1.00 0.00 C ATOM 295 CE LYS A 19 -7.682 -0.688 -4.121 1.00 0.00 C ATOM 296 NZ LYS A 19 -7.999 -1.556 -5.291 1.00 0.00 N ATOM 0 H LYS A 19 -6.592 -2.805 1.339 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.949 -0.390 0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.909 -2.986 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.324 -2.213 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.880 -0.019 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.506 -1.076 -1.537 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.565 -1.049 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.565 -2.454 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.537 -0.601 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.421 0.322 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.800 -1.151 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.169 -1.615 -5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.250 -2.509 -4.958 1.00 0.00 H new ATOM 310 N GLY A 20 -10.198 -1.566 0.368 1.00 0.00 N ATOM 311 CA GLY A 20 -11.475 -2.157 0.858 1.00 0.00 C ATOM 312 C GLY A 20 -12.268 -1.099 1.626 1.00 0.00 C ATOM 313 O GLY A 20 -12.091 0.088 1.431 1.00 0.00 O ATOM 0 H GLY A 20 -10.299 -0.740 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.062 -2.527 0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.268 -3.011 1.503 1.00 0.00 H new ATOM 317 N GLY A 21 -13.141 -1.518 2.501 1.00 0.00 N ATOM 318 CA GLY A 21 -13.944 -0.535 3.281 1.00 0.00 C ATOM 319 C GLY A 21 -15.170 -1.232 3.873 1.00 0.00 C ATOM 320 O GLY A 21 -15.860 -1.973 3.202 1.00 0.00 O ATOM 0 H GLY A 21 -13.333 -2.498 2.709 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.337 -0.105 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.256 0.288 2.638 1.00 0.00 H new ATOM 324 N ARG A 22 -15.447 -1.000 5.127 1.00 0.00 N ATOM 325 CA ARG A 22 -16.629 -1.650 5.764 1.00 0.00 C ATOM 326 C ARG A 22 -17.924 -1.236 5.050 1.00 0.00 C ATOM 327 O ARG A 22 -18.955 -1.858 5.209 1.00 0.00 O ATOM 328 CB ARG A 22 -16.612 -1.155 7.212 1.00 0.00 C ATOM 329 CG ARG A 22 -17.755 -1.801 7.997 1.00 0.00 C ATOM 330 CD ARG A 22 -17.218 -3.007 8.770 1.00 0.00 C ATOM 331 NE ARG A 22 -17.417 -4.165 7.851 1.00 0.00 N ATOM 332 CZ ARG A 22 -18.479 -4.913 7.965 1.00 0.00 C ATOM 333 NH1 ARG A 22 -19.607 -4.388 8.361 1.00 0.00 N ATOM 334 NH2 ARG A 22 -18.416 -6.185 7.681 1.00 0.00 N ATOM 0 H ARG A 22 -14.906 -0.388 5.739 1.00 0.00 H new ATOM 0 HA ARG A 22 -16.587 -2.738 5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -15.657 -1.398 7.677 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.711 -0.070 7.236 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.193 -1.078 8.686 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.548 -2.114 7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.166 -2.879 9.023 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -17.756 -3.148 9.707 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.722 -4.372 7.133 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -19.657 -3.393 8.581 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.438 -4.973 8.450 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.535 -6.595 7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.247 -6.769 7.770 1.00 0.00 H new ATOM 348 N GLU A 23 -17.886 -0.200 4.250 1.00 0.00 N ATOM 349 CA GLU A 23 -19.123 0.221 3.529 1.00 0.00 C ATOM 350 C GLU A 23 -19.322 -0.632 2.267 1.00 0.00 C ATOM 351 O GLU A 23 -20.219 -0.391 1.484 1.00 0.00 O ATOM 352 CB GLU A 23 -18.894 1.692 3.154 1.00 0.00 C ATOM 353 CG GLU A 23 -17.613 1.821 2.326 1.00 0.00 C ATOM 354 CD GLU A 23 -17.912 2.592 1.039 1.00 0.00 C ATOM 355 OE1 GLU A 23 -18.164 3.782 1.130 1.00 0.00 O ATOM 356 OE2 GLU A 23 -17.883 1.979 -0.016 1.00 0.00 O ATOM 0 H GLU A 23 -17.059 0.368 4.067 1.00 0.00 H new ATOM 0 HA GLU A 23 -20.015 0.094 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -19.745 2.069 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.818 2.299 4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -16.846 2.338 2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -17.221 0.832 2.087 1.00 0.00 H new ATOM 363 N ASN A 24 -18.498 -1.629 2.065 1.00 0.00 N ATOM 364 CA ASN A 24 -18.647 -2.491 0.860 1.00 0.00 C ATOM 365 C ASN A 24 -18.372 -3.949 1.239 1.00 0.00 C ATOM 366 O ASN A 24 -17.975 -4.753 0.417 1.00 0.00 O ATOM 367 CB ASN A 24 -17.589 -1.984 -0.120 1.00 0.00 C ATOM 368 CG ASN A 24 -18.269 -1.228 -1.263 1.00 0.00 C ATOM 369 OD1 ASN A 24 -18.902 -0.116 -1.008 1.00 0.00 O flip ATOM 370 ND2 ASN A 24 -18.223 -1.654 -2.399 1.00 0.00 N flip ATOM 0 H ASN A 24 -17.728 -1.881 2.685 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.648 -2.448 0.432 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -16.886 -1.329 0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -17.014 -2.821 -0.516 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.728 -2.523 -2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -18.679 -1.142 -3.154 1.00 0.00 H new ATOM 377 N LYS A 25 -18.576 -4.293 2.483 1.00 0.00 N ATOM 378 CA LYS A 25 -18.319 -5.694 2.924 1.00 0.00 C ATOM 379 C LYS A 25 -16.891 -6.101 2.557 1.00 0.00 C ATOM 380 O LYS A 25 -16.636 -6.611 1.484 1.00 0.00 O ATOM 381 CB LYS A 25 -19.336 -6.549 2.165 1.00 0.00 C ATOM 382 CG LYS A 25 -20.384 -7.082 3.145 1.00 0.00 C ATOM 383 CD LYS A 25 -21.701 -6.331 2.942 1.00 0.00 C ATOM 384 CE LYS A 25 -22.767 -6.912 3.874 1.00 0.00 C ATOM 385 NZ LYS A 25 -23.305 -5.737 4.616 1.00 0.00 N ATOM 0 H LYS A 25 -18.910 -3.663 3.213 1.00 0.00 H new ATOM 0 HA LYS A 25 -18.420 -5.814 4.003 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -19.818 -5.956 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.832 -7.378 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.534 -8.150 2.988 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.036 -6.956 4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.562 -5.270 3.147 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -22.024 -6.415 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -23.552 -7.417 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -22.339 -7.648 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -24.043 -6.052 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -22.536 -5.280 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -23.712 -5.057 3.942 1.00 0.00 H new ATOM 399 N MET A 26 -15.955 -5.871 3.437 1.00 0.00 N ATOM 400 CA MET A 26 -14.542 -6.237 3.132 1.00 0.00 C ATOM 401 C MET A 26 -13.672 -6.105 4.394 1.00 0.00 C ATOM 402 O MET A 26 -13.665 -5.065 5.024 1.00 0.00 O ATOM 403 CB MET A 26 -14.105 -5.224 2.071 1.00 0.00 C ATOM 404 CG MET A 26 -13.884 -5.936 0.732 1.00 0.00 C ATOM 405 SD MET A 26 -12.137 -5.832 0.264 1.00 0.00 S ATOM 406 CE MET A 26 -11.450 -6.623 1.742 1.00 0.00 C ATOM 0 H MET A 26 -16.107 -5.447 4.352 1.00 0.00 H new ATOM 0 HA MET A 26 -14.442 -7.266 2.788 1.00 0.00 H new ATOM 0 HB2 MET A 26 -14.864 -4.449 1.960 1.00 0.00 H new ATOM 0 HB3 MET A 26 -13.187 -4.728 2.385 1.00 0.00 H new ATOM 0 HG2 MET A 26 -14.188 -6.980 0.810 1.00 0.00 H new ATOM 0 HG3 MET A 26 -14.505 -5.480 -0.040 1.00 0.00 H new ATOM 0 HE1 MET A 26 -10.604 -6.040 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 26 -12.216 -6.675 2.516 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.116 -7.630 1.494 1.00 0.00 H new ATOM 416 N PRO A 27 -12.956 -7.158 4.727 1.00 0.00 N ATOM 417 CA PRO A 27 -12.070 -7.137 5.930 1.00 0.00 C ATOM 418 C PRO A 27 -10.784 -6.336 5.675 1.00 0.00 C ATOM 419 O PRO A 27 -9.712 -6.787 6.022 1.00 0.00 O ATOM 420 CB PRO A 27 -11.693 -8.602 6.118 1.00 0.00 C ATOM 421 CG PRO A 27 -11.806 -9.202 4.753 1.00 0.00 C ATOM 422 CD PRO A 27 -12.910 -8.460 4.040 1.00 0.00 C ATOM 0 HA PRO A 27 -12.566 -6.679 6.786 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.682 -8.703 6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.361 -9.095 6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.865 -9.109 4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.034 -10.266 4.816 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.694 -8.345 2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -13.861 -8.987 4.117 1.00 0.00 H new ATOM 430 N ILE A 28 -10.861 -5.169 5.082 1.00 0.00 N ATOM 431 CA ILE A 28 -9.608 -4.380 4.817 1.00 0.00 C ATOM 432 C ILE A 28 -8.536 -5.295 4.183 1.00 0.00 C ATOM 433 O ILE A 28 -7.777 -5.941 4.876 1.00 0.00 O ATOM 434 CB ILE A 28 -9.140 -3.883 6.192 1.00 0.00 C ATOM 435 CG1 ILE A 28 -10.310 -3.254 6.965 1.00 0.00 C ATOM 436 CG2 ILE A 28 -8.044 -2.837 6.003 1.00 0.00 C ATOM 437 CD1 ILE A 28 -10.936 -2.126 6.141 1.00 0.00 C ATOM 0 H ILE A 28 -11.727 -4.729 4.771 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.781 -3.554 4.127 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.757 -4.731 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.060 -4.013 7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.958 -2.865 7.921 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.709 -2.481 6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.204 -3.283 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.436 -1.999 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.764 -1.686 6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.185 -1.361 5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.305 -2.527 5.197 1.00 0.00 H new ATOM 449 N LEU A 29 -8.489 -5.380 2.879 1.00 0.00 N ATOM 450 CA LEU A 29 -7.495 -6.287 2.229 1.00 0.00 C ATOM 451 C LEU A 29 -6.303 -5.516 1.654 1.00 0.00 C ATOM 452 O LEU A 29 -6.455 -4.615 0.853 1.00 0.00 O ATOM 453 CB LEU A 29 -8.286 -6.978 1.113 1.00 0.00 C ATOM 454 CG LEU A 29 -7.429 -8.066 0.472 1.00 0.00 C ATOM 455 CD1 LEU A 29 -7.037 -9.082 1.535 1.00 0.00 C ATOM 456 CD2 LEU A 29 -8.227 -8.769 -0.627 1.00 0.00 C ATOM 0 H LEU A 29 -9.092 -4.864 2.238 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.065 -6.990 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.200 -7.413 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.586 -6.248 0.361 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.535 -7.617 0.039 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.424 -9.863 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.470 -8.585 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.936 -9.527 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.613 -9.545 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.121 -9.220 -0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.517 -8.043 -1.387 1.00 0.00 H new ATOM 468 N ILE A 30 -5.111 -5.886 2.052 1.00 0.00 N ATOM 469 CA ILE A 30 -3.897 -5.203 1.525 1.00 0.00 C ATOM 470 C ILE A 30 -3.848 -5.333 -0.001 1.00 0.00 C ATOM 471 O ILE A 30 -4.154 -6.371 -0.552 1.00 0.00 O ATOM 472 CB ILE A 30 -2.723 -5.943 2.166 1.00 0.00 C ATOM 473 CG1 ILE A 30 -2.729 -5.691 3.673 1.00 0.00 C ATOM 474 CG2 ILE A 30 -1.405 -5.441 1.571 1.00 0.00 C ATOM 475 CD1 ILE A 30 -1.552 -6.428 4.311 1.00 0.00 C ATOM 0 H ILE A 30 -4.929 -6.634 2.721 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.881 -4.138 1.756 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.820 -7.011 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.657 -4.622 3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.668 -6.035 4.108 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.572 -5.972 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.399 -5.620 0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.304 -4.372 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.552 -6.251 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.645 -7.497 4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.619 -6.062 3.883 1.00 0.00 H new ATOM 487 N SER A 31 -3.468 -4.291 -0.687 1.00 0.00 N ATOM 488 CA SER A 31 -3.407 -4.368 -2.175 1.00 0.00 C ATOM 489 C SER A 31 -2.013 -3.990 -2.687 1.00 0.00 C ATOM 490 O SER A 31 -1.705 -4.170 -3.849 1.00 0.00 O ATOM 491 CB SER A 31 -4.447 -3.360 -2.664 1.00 0.00 C ATOM 492 OG SER A 31 -4.394 -3.275 -4.082 1.00 0.00 O ATOM 0 H SER A 31 -3.198 -3.393 -0.285 1.00 0.00 H new ATOM 0 HA SER A 31 -3.605 -5.377 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.443 -3.665 -2.344 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.256 -2.382 -2.223 1.00 0.00 H new ATOM 0 HG SER A 31 -3.514 -3.572 -4.395 1.00 0.00 H new ATOM 498 N LYS A 32 -1.165 -3.467 -1.841 1.00 0.00 N ATOM 499 CA LYS A 32 0.198 -3.087 -2.311 1.00 0.00 C ATOM 500 C LYS A 32 1.197 -3.096 -1.150 1.00 0.00 C ATOM 501 O LYS A 32 1.273 -2.164 -0.373 1.00 0.00 O ATOM 502 CB LYS A 32 0.039 -1.673 -2.868 1.00 0.00 C ATOM 503 CG LYS A 32 0.440 -1.657 -4.344 1.00 0.00 C ATOM 504 CD LYS A 32 1.294 -0.419 -4.625 1.00 0.00 C ATOM 505 CE LYS A 32 0.388 0.743 -5.032 1.00 0.00 C ATOM 506 NZ LYS A 32 -0.575 0.891 -3.904 1.00 0.00 N ATOM 0 H LYS A 32 -1.355 -3.288 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 32 0.582 -3.785 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.993 -1.341 -2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.660 -0.977 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.998 -2.561 -4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.450 -1.649 -4.974 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.870 -0.152 -3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.011 -0.631 -5.419 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.962 1.657 -5.184 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.129 0.532 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.010 1.835 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.316 0.165 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.072 0.776 -3.001 1.00 0.00 H new ATOM 520 N ILE A 33 1.974 -4.138 -1.036 1.00 0.00 N ATOM 521 CA ILE A 33 2.980 -4.206 0.061 1.00 0.00 C ATOM 522 C ILE A 33 4.268 -3.514 -0.393 1.00 0.00 C ATOM 523 O ILE A 33 5.055 -4.062 -1.138 1.00 0.00 O ATOM 524 CB ILE A 33 3.191 -5.706 0.300 1.00 0.00 C ATOM 525 CG1 ILE A 33 1.992 -6.253 1.075 1.00 0.00 C ATOM 526 CG2 ILE A 33 4.468 -5.954 1.110 1.00 0.00 C ATOM 527 CD1 ILE A 33 1.931 -5.614 2.464 1.00 0.00 C ATOM 0 H ILE A 33 1.955 -4.947 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 33 2.663 -3.705 0.976 1.00 0.00 H new ATOM 0 HB ILE A 33 3.288 -6.208 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.071 -6.046 0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.072 -7.336 1.167 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.597 -7.025 1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.326 -5.561 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.390 -5.452 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.074 -6.009 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.846 -5.843 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.830 -4.533 2.363 1.00 0.00 H new ATOM 539 N PHE A 34 4.473 -2.307 0.047 1.00 0.00 N ATOM 540 CA PHE A 34 5.693 -1.558 -0.357 1.00 0.00 C ATOM 541 C PHE A 34 6.942 -2.332 0.078 1.00 0.00 C ATOM 542 O PHE A 34 7.014 -2.840 1.180 1.00 0.00 O ATOM 543 CB PHE A 34 5.588 -0.223 0.383 1.00 0.00 C ATOM 544 CG PHE A 34 4.674 0.726 -0.367 1.00 0.00 C ATOM 545 CD1 PHE A 34 3.466 0.273 -0.924 1.00 0.00 C ATOM 546 CD2 PHE A 34 5.037 2.071 -0.500 1.00 0.00 C ATOM 547 CE1 PHE A 34 2.634 1.162 -1.611 1.00 0.00 C ATOM 548 CE2 PHE A 34 4.201 2.960 -1.189 1.00 0.00 C ATOM 549 CZ PHE A 34 3.000 2.504 -1.744 1.00 0.00 C ATOM 0 H PHE A 34 3.844 -1.803 0.673 1.00 0.00 H new ATOM 0 HA PHE A 34 5.770 -1.417 -1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.205 -0.387 1.390 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.578 0.221 0.487 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.180 -0.763 -0.821 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.963 2.424 -0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.707 0.811 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.484 3.997 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.356 3.189 -2.275 1.00 0.00 H new ATOM 559 N LYS A 35 7.920 -2.439 -0.779 1.00 0.00 N ATOM 560 CA LYS A 35 9.153 -3.197 -0.412 1.00 0.00 C ATOM 561 C LYS A 35 10.114 -2.318 0.389 1.00 0.00 C ATOM 562 O LYS A 35 9.940 -1.121 0.496 1.00 0.00 O ATOM 563 CB LYS A 35 9.779 -3.608 -1.745 1.00 0.00 C ATOM 564 CG LYS A 35 10.122 -2.355 -2.556 1.00 0.00 C ATOM 565 CD LYS A 35 11.477 -2.545 -3.241 1.00 0.00 C ATOM 566 CE LYS A 35 11.373 -2.114 -4.705 1.00 0.00 C ATOM 567 NZ LYS A 35 11.126 -3.376 -5.458 1.00 0.00 N ATOM 0 H LYS A 35 7.920 -2.036 -1.716 1.00 0.00 H new ATOM 0 HA LYS A 35 8.928 -4.059 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.678 -4.198 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.088 -4.238 -2.304 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.349 -2.168 -3.301 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.152 -1.483 -1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.240 -1.957 -2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.785 -3.589 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.561 -1.401 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.289 -1.627 -5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.043 -3.164 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.918 -4.032 -5.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.244 -3.814 -5.122 1.00 0.00 H new ATOM 581 N GLY A 36 11.131 -2.912 0.953 1.00 0.00 N ATOM 582 CA GLY A 36 12.106 -2.124 1.752 1.00 0.00 C ATOM 583 C GLY A 36 11.393 -1.522 2.964 1.00 0.00 C ATOM 584 O GLY A 36 11.750 -0.465 3.442 1.00 0.00 O ATOM 0 H GLY A 36 11.327 -3.911 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.927 -2.762 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.540 -1.333 1.141 1.00 0.00 H new ATOM 588 N LEU A 37 10.382 -2.183 3.465 1.00 0.00 N ATOM 589 CA LEU A 37 9.655 -1.631 4.641 1.00 0.00 C ATOM 590 C LEU A 37 9.326 -2.737 5.651 1.00 0.00 C ATOM 591 O LEU A 37 9.358 -3.910 5.342 1.00 0.00 O ATOM 592 CB LEU A 37 8.383 -1.011 4.066 1.00 0.00 C ATOM 593 CG LEU A 37 8.689 0.419 3.612 1.00 0.00 C ATOM 594 CD1 LEU A 37 8.210 0.615 2.175 1.00 0.00 C ATOM 595 CD2 LEU A 37 7.974 1.414 4.529 1.00 0.00 C ATOM 0 H LEU A 37 10.032 -3.074 3.113 1.00 0.00 H new ATOM 0 HA LEU A 37 10.252 -0.898 5.183 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.021 -1.604 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.593 -1.007 4.817 1.00 0.00 H new ATOM 0 HG LEU A 37 9.764 0.589 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.429 1.633 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.724 -0.090 1.521 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.135 0.441 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.193 2.431 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.899 1.243 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.320 1.278 5.554 1.00 0.00 H new ATOM 607 N ALA A 38 9.023 -2.356 6.863 1.00 0.00 N ATOM 608 CA ALA A 38 8.705 -3.358 7.924 1.00 0.00 C ATOM 609 C ALA A 38 7.732 -4.428 7.419 1.00 0.00 C ATOM 610 O ALA A 38 8.085 -5.582 7.280 1.00 0.00 O ATOM 611 CB ALA A 38 8.054 -2.542 9.040 1.00 0.00 C ATOM 0 H ALA A 38 8.982 -1.383 7.167 1.00 0.00 H new ATOM 0 HA ALA A 38 9.598 -3.891 8.250 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.787 -3.202 9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.754 -1.785 9.393 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.156 -2.056 8.659 1.00 0.00 H new ATOM 617 N ALA A 39 6.504 -4.056 7.173 1.00 0.00 N ATOM 618 CA ALA A 39 5.487 -5.049 6.705 1.00 0.00 C ATOM 619 C ALA A 39 6.050 -5.957 5.606 1.00 0.00 C ATOM 620 O ALA A 39 5.778 -7.140 5.571 1.00 0.00 O ATOM 621 CB ALA A 39 4.336 -4.204 6.160 1.00 0.00 C ATOM 0 H ALA A 39 6.158 -3.102 7.276 1.00 0.00 H new ATOM 0 HA ALA A 39 5.175 -5.711 7.513 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.545 -4.859 5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.944 -3.568 6.954 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.698 -3.581 5.342 1.00 0.00 H new ATOM 627 N ASP A 40 6.828 -5.419 4.709 1.00 0.00 N ATOM 628 CA ASP A 40 7.392 -6.268 3.622 1.00 0.00 C ATOM 629 C ASP A 40 8.782 -6.794 4.008 1.00 0.00 C ATOM 630 O ASP A 40 9.490 -7.349 3.191 1.00 0.00 O ATOM 631 CB ASP A 40 7.480 -5.349 2.405 1.00 0.00 C ATOM 632 CG ASP A 40 8.125 -6.105 1.242 1.00 0.00 C ATOM 633 OD1 ASP A 40 7.399 -6.760 0.512 1.00 0.00 O ATOM 634 OD2 ASP A 40 9.333 -6.017 1.101 1.00 0.00 O ATOM 0 H ASP A 40 7.097 -4.435 4.681 1.00 0.00 H new ATOM 0 HA ASP A 40 6.774 -7.145 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.485 -5.005 2.122 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.067 -4.463 2.647 1.00 0.00 H new ATOM 639 N GLN A 41 9.180 -6.633 5.243 1.00 0.00 N ATOM 640 CA GLN A 41 10.521 -7.135 5.664 1.00 0.00 C ATOM 641 C GLN A 41 10.381 -8.253 6.709 1.00 0.00 C ATOM 642 O GLN A 41 11.362 -8.743 7.232 1.00 0.00 O ATOM 643 CB GLN A 41 11.229 -5.927 6.279 1.00 0.00 C ATOM 644 CG GLN A 41 11.915 -5.107 5.183 1.00 0.00 C ATOM 645 CD GLN A 41 12.629 -3.909 5.814 1.00 0.00 C ATOM 646 OE1 GLN A 41 12.039 -3.238 6.766 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 13.737 -3.579 5.438 1.00 0.00 N flip ATOM 0 H GLN A 41 8.636 -6.177 5.976 1.00 0.00 H new ATOM 0 HA GLN A 41 11.074 -7.554 4.823 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.509 -5.306 6.812 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.966 -6.260 7.010 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.630 -5.728 4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.179 -4.764 4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.200 -4.102 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 41 14.204 -2.779 5.866 1.00 0.00 H new ATOM 656 N THR A 42 9.177 -8.658 7.025 1.00 0.00 N ATOM 657 CA THR A 42 9.004 -9.737 8.041 1.00 0.00 C ATOM 658 C THR A 42 8.552 -11.046 7.378 1.00 0.00 C ATOM 659 O THR A 42 8.103 -11.959 8.041 1.00 0.00 O ATOM 660 CB THR A 42 7.926 -9.214 8.992 1.00 0.00 C ATOM 661 OG1 THR A 42 7.704 -10.166 10.023 1.00 0.00 O ATOM 662 CG2 THR A 42 6.625 -8.981 8.222 1.00 0.00 C ATOM 0 H THR A 42 8.313 -8.291 6.626 1.00 0.00 H new ATOM 0 HA THR A 42 9.936 -9.961 8.559 1.00 0.00 H new ATOM 0 HB THR A 42 8.257 -8.272 9.430 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.866 -11.068 9.676 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.860 -8.609 8.904 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.795 -8.249 7.433 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.291 -9.920 7.780 1.00 0.00 H new ATOM 670 N GLU A 43 8.673 -11.150 6.080 1.00 0.00 N ATOM 671 CA GLU A 43 8.255 -12.407 5.385 1.00 0.00 C ATOM 672 C GLU A 43 6.861 -12.851 5.847 1.00 0.00 C ATOM 673 O GLU A 43 6.689 -13.925 6.389 1.00 0.00 O ATOM 674 CB GLU A 43 9.305 -13.443 5.786 1.00 0.00 C ATOM 675 CG GLU A 43 9.741 -14.234 4.551 1.00 0.00 C ATOM 676 CD GLU A 43 9.459 -15.721 4.771 1.00 0.00 C ATOM 677 OE1 GLU A 43 10.277 -16.372 5.401 1.00 0.00 O ATOM 678 OE2 GLU A 43 8.431 -16.185 4.306 1.00 0.00 O ATOM 0 H GLU A 43 9.043 -10.420 5.471 1.00 0.00 H new ATOM 0 HA GLU A 43 8.194 -12.274 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.166 -12.948 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.896 -14.118 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.206 -13.878 3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.803 -14.078 4.363 1.00 0.00 H new ATOM 685 N ALA A 44 5.863 -12.035 5.634 1.00 0.00 N ATOM 686 CA ALA A 44 4.484 -12.419 6.059 1.00 0.00 C ATOM 687 C ALA A 44 3.476 -11.364 5.598 1.00 0.00 C ATOM 688 O ALA A 44 2.475 -11.679 4.989 1.00 0.00 O ATOM 689 CB ALA A 44 4.537 -12.482 7.582 1.00 0.00 C ATOM 0 H ALA A 44 5.942 -11.122 5.186 1.00 0.00 H new ATOM 0 HA ALA A 44 4.170 -13.369 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.556 -12.759 7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.272 -13.225 7.890 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.820 -11.506 7.977 1.00 0.00 H new ATOM 695 N LEU A 45 3.730 -10.112 5.872 1.00 0.00 N ATOM 696 CA LEU A 45 2.773 -9.064 5.420 1.00 0.00 C ATOM 697 C LEU A 45 2.859 -8.945 3.899 1.00 0.00 C ATOM 698 O LEU A 45 3.603 -8.150 3.359 1.00 0.00 O ATOM 699 CB LEU A 45 3.212 -7.773 6.110 1.00 0.00 C ATOM 700 CG LEU A 45 2.025 -7.204 6.891 1.00 0.00 C ATOM 701 CD1 LEU A 45 2.529 -6.291 8.009 1.00 0.00 C ATOM 702 CD2 LEU A 45 1.135 -6.404 5.942 1.00 0.00 C ATOM 0 H LEU A 45 4.546 -9.774 6.382 1.00 0.00 H new ATOM 0 HA LEU A 45 1.738 -9.294 5.672 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.047 -7.969 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.560 -7.050 5.372 1.00 0.00 H new ATOM 0 HG LEU A 45 1.454 -8.023 7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.680 -5.889 8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.165 -6.862 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.103 -5.470 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.288 -5.997 6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.710 -5.587 5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.771 -7.056 5.148 1.00 0.00 H new ATOM 714 N PHE A 46 2.104 -9.754 3.213 1.00 0.00 N ATOM 715 CA PHE A 46 2.119 -9.738 1.713 1.00 0.00 C ATOM 716 C PHE A 46 0.748 -9.310 1.179 1.00 0.00 C ATOM 717 O PHE A 46 -0.258 -9.489 1.826 1.00 0.00 O ATOM 718 CB PHE A 46 2.456 -11.179 1.232 1.00 0.00 C ATOM 719 CG PHE A 46 2.116 -12.238 2.267 1.00 0.00 C ATOM 720 CD1 PHE A 46 0.794 -12.415 2.692 1.00 0.00 C ATOM 721 CD2 PHE A 46 3.134 -13.040 2.800 1.00 0.00 C ATOM 722 CE1 PHE A 46 0.492 -13.390 3.646 1.00 0.00 C ATOM 723 CE2 PHE A 46 2.830 -14.016 3.751 1.00 0.00 C ATOM 724 CZ PHE A 46 1.511 -14.192 4.175 1.00 0.00 C ATOM 0 H PHE A 46 1.468 -10.436 3.626 1.00 0.00 H new ATOM 0 HA PHE A 46 2.861 -9.030 1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.910 -11.387 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.518 -11.239 0.993 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.008 -11.798 2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.155 -12.903 2.475 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.528 -13.525 3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 46 3.615 -14.635 4.159 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.277 -14.947 4.911 1.00 0.00 H new ATOM 734 N VAL A 47 0.698 -8.735 0.002 1.00 0.00 N ATOM 735 CA VAL A 47 -0.620 -8.294 -0.562 1.00 0.00 C ATOM 736 C VAL A 47 -1.653 -9.422 -0.436 1.00 0.00 C ATOM 737 O VAL A 47 -1.313 -10.557 -0.170 1.00 0.00 O ATOM 738 CB VAL A 47 -0.356 -7.982 -2.039 1.00 0.00 C ATOM 739 CG1 VAL A 47 -1.618 -7.380 -2.662 1.00 0.00 C ATOM 740 CG2 VAL A 47 0.795 -6.982 -2.168 1.00 0.00 C ATOM 0 H VAL A 47 1.507 -8.552 -0.591 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.016 -7.428 -0.032 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.089 -8.904 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.434 -7.157 -3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.439 -8.092 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.881 -6.462 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.974 -6.767 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.535 -6.059 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.697 -7.406 -1.726 1.00 0.00 H new ATOM 750 N GLY A 48 -2.909 -9.119 -0.613 1.00 0.00 N ATOM 751 CA GLY A 48 -3.947 -10.180 -0.489 1.00 0.00 C ATOM 752 C GLY A 48 -4.077 -10.581 0.981 1.00 0.00 C ATOM 753 O GLY A 48 -4.368 -11.715 1.304 1.00 0.00 O ATOM 0 H GLY A 48 -3.260 -8.188 -0.837 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.903 -9.817 -0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.674 -11.046 -1.093 1.00 0.00 H new ATOM 757 N ASP A 49 -3.856 -9.654 1.874 1.00 0.00 N ATOM 758 CA ASP A 49 -3.959 -9.975 3.327 1.00 0.00 C ATOM 759 C ASP A 49 -5.087 -9.174 3.988 1.00 0.00 C ATOM 760 O ASP A 49 -4.928 -8.015 4.316 1.00 0.00 O ATOM 761 CB ASP A 49 -2.602 -9.569 3.902 1.00 0.00 C ATOM 762 CG ASP A 49 -1.603 -10.716 3.722 1.00 0.00 C ATOM 763 OD1 ASP A 49 -1.984 -11.735 3.168 1.00 0.00 O ATOM 764 OD2 ASP A 49 -0.471 -10.556 4.147 1.00 0.00 O ATOM 0 H ASP A 49 -3.608 -8.688 1.660 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.191 -11.026 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.237 -8.673 3.400 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.703 -9.324 4.959 1.00 0.00 H new ATOM 769 N ALA A 50 -6.224 -9.789 4.192 1.00 0.00 N ATOM 770 CA ALA A 50 -7.359 -9.065 4.845 1.00 0.00 C ATOM 771 C ALA A 50 -7.141 -9.016 6.360 1.00 0.00 C ATOM 772 O ALA A 50 -7.232 -10.015 7.044 1.00 0.00 O ATOM 773 CB ALA A 50 -8.605 -9.873 4.492 1.00 0.00 C ATOM 0 H ALA A 50 -6.416 -10.757 3.936 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.448 -8.033 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.482 -9.403 4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.722 -9.907 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.502 -10.887 4.878 1.00 0.00 H new ATOM 779 N ILE A 51 -6.835 -7.858 6.885 1.00 0.00 N ATOM 780 CA ILE A 51 -6.591 -7.739 8.353 1.00 0.00 C ATOM 781 C ILE A 51 -7.909 -7.785 9.129 1.00 0.00 C ATOM 782 O ILE A 51 -8.901 -7.214 8.721 1.00 0.00 O ATOM 783 CB ILE A 51 -5.915 -6.379 8.533 1.00 0.00 C ATOM 784 CG1 ILE A 51 -4.594 -6.364 7.758 1.00 0.00 C ATOM 785 CG2 ILE A 51 -5.641 -6.140 10.019 1.00 0.00 C ATOM 786 CD1 ILE A 51 -3.886 -5.024 7.975 1.00 0.00 C ATOM 0 H ILE A 51 -6.743 -6.989 6.360 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.979 -8.558 8.730 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.567 -5.592 8.155 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.956 -7.182 8.092 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.782 -6.519 6.696 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.159 -5.171 10.149 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.582 -6.154 10.569 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.987 -6.924 10.399 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.946 -5.015 7.423 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.523 -4.214 7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.684 -4.887 9.037 1.00 0.00 H new ATOM 798 N LEU A 52 -7.927 -8.460 10.249 1.00 0.00 N ATOM 799 CA LEU A 52 -9.186 -8.539 11.051 1.00 0.00 C ATOM 800 C LEU A 52 -8.948 -8.066 12.494 1.00 0.00 C ATOM 801 O LEU A 52 -9.832 -8.131 13.326 1.00 0.00 O ATOM 802 CB LEU A 52 -9.581 -10.018 11.041 1.00 0.00 C ATOM 803 CG LEU A 52 -10.400 -10.344 9.784 1.00 0.00 C ATOM 804 CD1 LEU A 52 -11.637 -9.444 9.717 1.00 0.00 C ATOM 805 CD2 LEU A 52 -9.540 -10.121 8.539 1.00 0.00 C ATOM 0 H LEU A 52 -7.129 -8.958 10.642 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.965 -7.901 10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.687 -10.640 11.072 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.163 -10.252 11.933 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.717 -11.386 9.827 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.212 -9.682 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -12.255 -9.608 10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.326 -8.400 9.681 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.123 -10.353 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.218 -9.080 8.501 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.666 -10.770 8.580 1.00 0.00 H new ATOM 817 N SER A 53 -7.767 -7.587 12.804 1.00 0.00 N ATOM 818 CA SER A 53 -7.486 -7.111 14.191 1.00 0.00 C ATOM 819 C SER A 53 -6.023 -6.676 14.302 1.00 0.00 C ATOM 820 O SER A 53 -5.127 -7.493 14.373 1.00 0.00 O ATOM 821 CB SER A 53 -7.765 -8.300 15.118 1.00 0.00 C ATOM 822 OG SER A 53 -7.548 -9.516 14.418 1.00 0.00 O ATOM 0 H SER A 53 -6.986 -7.506 12.153 1.00 0.00 H new ATOM 0 HA SER A 53 -8.105 -6.255 14.457 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.116 -8.252 15.992 1.00 0.00 H new ATOM 0 HB3 SER A 53 -8.792 -8.257 15.481 1.00 0.00 H new ATOM 0 HG SER A 53 -8.407 -9.962 14.264 1.00 0.00 H new ATOM 828 N VAL A 54 -5.773 -5.395 14.313 1.00 0.00 N ATOM 829 CA VAL A 54 -4.361 -4.917 14.414 1.00 0.00 C ATOM 830 C VAL A 54 -3.976 -4.677 15.879 1.00 0.00 C ATOM 831 O VAL A 54 -4.579 -3.885 16.571 1.00 0.00 O ATOM 832 CB VAL A 54 -4.308 -3.607 13.616 1.00 0.00 C ATOM 833 CG1 VAL A 54 -4.780 -3.847 12.182 1.00 0.00 C ATOM 834 CG2 VAL A 54 -5.209 -2.562 14.264 1.00 0.00 C ATOM 0 H VAL A 54 -6.479 -4.661 14.257 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.658 -5.652 14.022 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.279 -3.249 13.608 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.739 -2.912 11.624 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.133 -4.583 11.705 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.805 -4.218 12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.164 -1.636 13.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.236 -2.928 14.283 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.873 -2.373 15.283 1.00 0.00 H new ATOM 844 N ASN A 55 -2.964 -5.355 16.352 1.00 0.00 N ATOM 845 CA ASN A 55 -2.516 -5.180 17.770 1.00 0.00 C ATOM 846 C ASN A 55 -3.648 -5.523 18.745 1.00 0.00 C ATOM 847 O ASN A 55 -3.764 -4.939 19.804 1.00 0.00 O ATOM 848 CB ASN A 55 -2.120 -3.709 17.903 1.00 0.00 C ATOM 849 CG ASN A 55 -0.604 -3.571 17.757 1.00 0.00 C ATOM 850 OD1 ASN A 55 -0.121 -2.774 16.844 1.00 0.00 O flip ATOM 851 ND2 ASN A 55 0.148 -4.193 18.480 1.00 0.00 N flip ATOM 0 H ASN A 55 -2.422 -6.030 15.813 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.685 -5.843 18.009 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.624 -3.116 17.140 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.439 -3.322 18.871 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.230 -4.816 19.194 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.157 -4.092 18.373 1.00 0.00 H new ATOM 858 N GLY A 56 -4.471 -6.477 18.406 1.00 0.00 N ATOM 859 CA GLY A 56 -5.580 -6.867 19.324 1.00 0.00 C ATOM 860 C GLY A 56 -6.777 -5.927 19.143 1.00 0.00 C ATOM 861 O GLY A 56 -7.631 -5.830 20.002 1.00 0.00 O ATOM 0 H GLY A 56 -4.424 -7.003 17.534 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.883 -7.895 19.123 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.235 -6.832 20.357 1.00 0.00 H new ATOM 865 N GLU A 57 -6.857 -5.239 18.036 1.00 0.00 N ATOM 866 CA GLU A 57 -8.012 -4.318 17.818 1.00 0.00 C ATOM 867 C GLU A 57 -8.921 -4.874 16.726 1.00 0.00 C ATOM 868 O GLU A 57 -8.717 -4.611 15.558 1.00 0.00 O ATOM 869 CB GLU A 57 -7.395 -3.003 17.357 1.00 0.00 C ATOM 870 CG GLU A 57 -6.819 -2.255 18.561 1.00 0.00 C ATOM 871 CD GLU A 57 -7.368 -0.828 18.587 1.00 0.00 C ATOM 872 OE1 GLU A 57 -8.404 -0.625 19.197 1.00 0.00 O ATOM 873 OE2 GLU A 57 -6.742 0.037 17.996 1.00 0.00 O ATOM 0 H GLU A 57 -6.177 -5.274 17.276 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.614 -4.196 18.719 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.610 -3.195 16.626 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.148 -2.390 16.862 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.081 -2.773 19.483 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.731 -2.236 18.504 1.00 0.00 H new ATOM 880 N ASP A 58 -9.917 -5.643 17.099 1.00 0.00 N ATOM 881 CA ASP A 58 -10.851 -6.241 16.092 1.00 0.00 C ATOM 882 C ASP A 58 -11.215 -5.232 14.994 1.00 0.00 C ATOM 883 O ASP A 58 -12.046 -4.365 15.177 1.00 0.00 O ATOM 884 CB ASP A 58 -12.092 -6.630 16.896 1.00 0.00 C ATOM 885 CG ASP A 58 -12.635 -5.399 17.623 1.00 0.00 C ATOM 886 OD1 ASP A 58 -11.962 -4.922 18.522 1.00 0.00 O ATOM 887 OD2 ASP A 58 -13.714 -4.953 17.269 1.00 0.00 O ATOM 0 H ASP A 58 -10.124 -5.884 18.068 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.400 -7.091 15.580 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.854 -7.040 16.233 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.843 -7.410 17.615 1.00 0.00 H new ATOM 892 N LEU A 59 -10.593 -5.350 13.853 1.00 0.00 N ATOM 893 CA LEU A 59 -10.888 -4.412 12.735 1.00 0.00 C ATOM 894 C LEU A 59 -12.019 -4.965 11.857 1.00 0.00 C ATOM 895 O LEU A 59 -12.248 -4.498 10.759 1.00 0.00 O ATOM 896 CB LEU A 59 -9.582 -4.335 11.942 1.00 0.00 C ATOM 897 CG LEU A 59 -8.991 -2.931 12.069 1.00 0.00 C ATOM 898 CD1 LEU A 59 -9.980 -1.913 11.503 1.00 0.00 C ATOM 899 CD2 LEU A 59 -8.723 -2.619 13.544 1.00 0.00 C ATOM 0 H LEU A 59 -9.890 -6.060 13.647 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.216 -3.434 13.088 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.873 -5.075 12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.766 -4.570 10.894 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.055 -2.878 11.513 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.561 -0.911 11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -10.170 -2.135 10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -10.916 -1.966 12.060 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.302 -1.618 13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.658 -2.671 14.102 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.019 -3.346 13.948 1.00 0.00 H new ATOM 911 N SER A 60 -12.725 -5.958 12.332 1.00 0.00 N ATOM 912 CA SER A 60 -13.834 -6.538 11.523 1.00 0.00 C ATOM 913 C SER A 60 -14.994 -5.541 11.398 1.00 0.00 C ATOM 914 O SER A 60 -15.485 -5.286 10.316 1.00 0.00 O ATOM 915 CB SER A 60 -14.271 -7.786 12.296 1.00 0.00 C ATOM 916 OG SER A 60 -15.638 -8.060 12.025 1.00 0.00 O ATOM 0 H SER A 60 -12.581 -6.391 13.244 1.00 0.00 H new ATOM 0 HA SER A 60 -13.521 -6.774 10.506 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.655 -8.638 12.009 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.125 -7.633 13.365 1.00 0.00 H new ATOM 0 HG SER A 60 -15.916 -8.860 12.519 1.00 0.00 H new ATOM 922 N SER A 61 -15.437 -4.975 12.490 1.00 0.00 N ATOM 923 CA SER A 61 -16.564 -3.999 12.416 1.00 0.00 C ATOM 924 C SER A 61 -16.030 -2.575 12.224 1.00 0.00 C ATOM 925 O SER A 61 -16.724 -1.608 12.466 1.00 0.00 O ATOM 926 CB SER A 61 -17.285 -4.126 13.759 1.00 0.00 C ATOM 927 OG SER A 61 -18.671 -3.874 13.577 1.00 0.00 O ATOM 0 H SER A 61 -15.069 -5.145 13.426 1.00 0.00 H new ATOM 0 HA SER A 61 -17.227 -4.200 11.574 1.00 0.00 H new ATOM 0 HB2 SER A 61 -17.137 -5.124 14.171 1.00 0.00 H new ATOM 0 HB3 SER A 61 -16.867 -3.420 14.477 1.00 0.00 H new ATOM 0 HG SER A 61 -19.134 -3.957 14.437 1.00 0.00 H new ATOM 933 N ALA A 62 -14.806 -2.438 11.789 1.00 0.00 N ATOM 934 CA ALA A 62 -14.237 -1.074 11.582 1.00 0.00 C ATOM 935 C ALA A 62 -14.197 -0.738 10.089 1.00 0.00 C ATOM 936 O ALA A 62 -14.207 -1.614 9.247 1.00 0.00 O ATOM 937 CB ALA A 62 -12.820 -1.140 12.145 1.00 0.00 C ATOM 0 H ALA A 62 -14.176 -3.210 11.568 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.835 -0.304 12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.336 -0.170 12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.860 -1.400 13.203 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.250 -1.897 11.607 1.00 0.00 H new ATOM 943 N THR A 63 -14.145 0.523 9.757 1.00 0.00 N ATOM 944 CA THR A 63 -14.101 0.920 8.319 1.00 0.00 C ATOM 945 C THR A 63 -12.650 1.012 7.844 1.00 0.00 C ATOM 946 O THR A 63 -11.725 0.848 8.614 1.00 0.00 O ATOM 947 CB THR A 63 -14.770 2.294 8.269 1.00 0.00 C ATOM 948 OG1 THR A 63 -14.271 3.099 9.327 1.00 0.00 O ATOM 949 CG2 THR A 63 -16.283 2.131 8.418 1.00 0.00 C ATOM 0 H THR A 63 -14.131 1.298 10.420 1.00 0.00 H new ATOM 0 HA THR A 63 -14.602 0.199 7.673 1.00 0.00 H new ATOM 0 HB THR A 63 -14.551 2.772 7.314 1.00 0.00 H new ATOM 0 HG1 THR A 63 -14.697 3.981 9.296 1.00 0.00 H new ATOM 0 HG21 THR A 63 -16.760 3.111 8.382 1.00 0.00 H new ATOM 0 HG22 THR A 63 -16.664 1.512 7.606 1.00 0.00 H new ATOM 0 HG23 THR A 63 -16.505 1.654 9.372 1.00 0.00 H new ATOM 957 N HIS A 64 -12.438 1.277 6.581 1.00 0.00 N ATOM 958 CA HIS A 64 -11.040 1.379 6.077 1.00 0.00 C ATOM 959 C HIS A 64 -10.295 2.476 6.848 1.00 0.00 C ATOM 960 O HIS A 64 -9.089 2.443 6.976 1.00 0.00 O ATOM 961 CB HIS A 64 -11.166 1.730 4.586 1.00 0.00 C ATOM 962 CG HIS A 64 -9.805 2.047 4.021 1.00 0.00 C ATOM 963 ND1 HIS A 64 -9.256 1.343 2.960 1.00 0.00 N ATOM 964 CD2 HIS A 64 -8.870 2.991 4.364 1.00 0.00 C ATOM 965 CE1 HIS A 64 -8.043 1.872 2.709 1.00 0.00 C ATOM 966 NE2 HIS A 64 -7.760 2.878 3.535 1.00 0.00 N ATOM 0 H HIS A 64 -13.167 1.426 5.883 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.476 0.456 6.213 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.611 0.896 4.043 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.831 2.584 4.459 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -9.691 0.567 2.461 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.980 3.714 5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.380 1.523 1.932 1.00 0.00 H new ATOM 974 N ASP A 65 -11.003 3.443 7.370 1.00 0.00 N ATOM 975 CA ASP A 65 -10.322 4.526 8.134 1.00 0.00 C ATOM 976 C ASP A 65 -9.909 4.004 9.513 1.00 0.00 C ATOM 977 O ASP A 65 -8.925 4.431 10.082 1.00 0.00 O ATOM 978 CB ASP A 65 -11.363 5.639 8.263 1.00 0.00 C ATOM 979 CG ASP A 65 -11.522 6.345 6.915 1.00 0.00 C ATOM 980 OD1 ASP A 65 -12.276 5.850 6.093 1.00 0.00 O ATOM 981 OD2 ASP A 65 -10.885 7.369 6.726 1.00 0.00 O ATOM 0 H ASP A 65 -12.017 3.529 7.300 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.417 4.881 7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.318 5.223 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.055 6.354 9.026 1.00 0.00 H new ATOM 986 N GLU A 66 -10.652 3.075 10.047 1.00 0.00 N ATOM 987 CA GLU A 66 -10.305 2.516 11.383 1.00 0.00 C ATOM 988 C GLU A 66 -9.115 1.557 11.256 1.00 0.00 C ATOM 989 O GLU A 66 -8.361 1.364 12.189 1.00 0.00 O ATOM 990 CB GLU A 66 -11.560 1.766 11.828 1.00 0.00 C ATOM 991 CG GLU A 66 -12.533 2.746 12.486 1.00 0.00 C ATOM 992 CD GLU A 66 -12.198 2.879 13.973 1.00 0.00 C ATOM 993 OE1 GLU A 66 -12.535 1.974 14.719 1.00 0.00 O ATOM 994 OE2 GLU A 66 -11.611 3.883 14.340 1.00 0.00 O ATOM 0 H GLU A 66 -11.486 2.678 9.615 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.016 3.286 12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.033 1.287 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.294 0.975 12.529 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.469 3.719 12.000 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.558 2.395 12.363 1.00 0.00 H new ATOM 1001 N ALA A 67 -8.944 0.957 10.108 1.00 0.00 N ATOM 1002 CA ALA A 67 -7.804 0.010 9.921 1.00 0.00 C ATOM 1003 C ALA A 67 -6.508 0.778 9.650 1.00 0.00 C ATOM 1004 O ALA A 67 -5.445 0.390 10.092 1.00 0.00 O ATOM 1005 CB ALA A 67 -8.188 -0.834 8.706 1.00 0.00 C ATOM 0 H ALA A 67 -9.543 1.081 9.292 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.629 -0.600 10.807 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.399 -1.558 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.120 -1.361 8.909 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.319 -0.186 7.840 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.581 1.862 8.928 1.00 0.00 N ATOM 1012 CA VAL A 68 -5.342 2.640 8.638 1.00 0.00 C ATOM 1013 C VAL A 68 -4.927 3.425 9.884 1.00 0.00 C ATOM 1014 O VAL A 68 -3.757 3.637 10.136 1.00 0.00 O ATOM 1015 CB VAL A 68 -5.704 3.604 7.500 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -4.430 4.269 6.982 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.364 2.850 6.343 1.00 0.00 C ATOM 0 H VAL A 68 -7.439 2.242 8.528 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.511 1.993 8.359 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.399 4.350 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.681 4.955 6.173 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.953 4.821 7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.746 3.506 6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.613 3.551 5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.676 2.096 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.274 2.365 6.697 1.00 0.00 H new ATOM 1027 N GLN A 69 -5.879 3.855 10.666 1.00 0.00 N ATOM 1028 CA GLN A 69 -5.545 4.623 11.896 1.00 0.00 C ATOM 1029 C GLN A 69 -4.696 3.763 12.831 1.00 0.00 C ATOM 1030 O GLN A 69 -3.771 4.240 13.457 1.00 0.00 O ATOM 1031 CB GLN A 69 -6.893 4.948 12.536 1.00 0.00 C ATOM 1032 CG GLN A 69 -6.668 5.681 13.858 1.00 0.00 C ATOM 1033 CD GLN A 69 -7.733 6.767 14.024 1.00 0.00 C ATOM 1034 OE1 GLN A 69 -7.758 7.727 13.281 1.00 0.00 O ATOM 1035 NE2 GLN A 69 -8.620 6.652 14.972 1.00 0.00 N ATOM 0 H GLN A 69 -6.875 3.707 10.505 1.00 0.00 H new ATOM 0 HA GLN A 69 -4.971 5.525 11.683 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.488 5.565 11.863 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -7.456 4.031 12.708 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.717 4.978 14.689 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -5.673 6.126 13.875 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -8.598 5.845 15.596 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.336 7.369 15.090 1.00 0.00 H new ATOM 1044 N ALA A 70 -4.989 2.495 12.920 1.00 0.00 N ATOM 1045 CA ALA A 70 -4.181 1.617 13.802 1.00 0.00 C ATOM 1046 C ALA A 70 -2.800 1.426 13.175 1.00 0.00 C ATOM 1047 O ALA A 70 -1.781 1.618 13.809 1.00 0.00 O ATOM 1048 CB ALA A 70 -4.949 0.299 13.847 1.00 0.00 C ATOM 0 H ALA A 70 -5.750 2.034 12.421 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.033 2.024 14.802 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.417 -0.410 14.481 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.946 0.472 14.253 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.033 -0.108 12.839 1.00 0.00 H new ATOM 1054 N LEU A 71 -2.768 1.061 11.924 1.00 0.00 N ATOM 1055 CA LEU A 71 -1.468 0.866 11.226 1.00 0.00 C ATOM 1056 C LEU A 71 -0.652 2.163 11.265 1.00 0.00 C ATOM 1057 O LEU A 71 0.558 2.145 11.161 1.00 0.00 O ATOM 1058 CB LEU A 71 -1.845 0.497 9.789 1.00 0.00 C ATOM 1059 CG LEU A 71 -2.596 -0.836 9.790 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -2.975 -1.213 8.357 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -1.699 -1.924 10.384 1.00 0.00 C ATOM 0 H LEU A 71 -3.594 0.888 11.351 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.853 0.095 11.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.467 1.278 9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.949 0.422 9.173 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.501 -0.742 10.390 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.510 -2.163 8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.614 -0.438 7.934 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.072 -1.307 7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.232 -2.875 10.386 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.794 -2.017 9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.431 -1.657 11.406 1.00 0.00 H new ATOM 1073 N LYS A 72 -1.301 3.289 11.421 1.00 0.00 N ATOM 1074 CA LYS A 72 -0.549 4.577 11.474 1.00 0.00 C ATOM 1075 C LYS A 72 0.033 4.785 12.876 1.00 0.00 C ATOM 1076 O LYS A 72 1.125 5.292 13.037 1.00 0.00 O ATOM 1077 CB LYS A 72 -1.581 5.660 11.152 1.00 0.00 C ATOM 1078 CG LYS A 72 -1.545 5.970 9.655 1.00 0.00 C ATOM 1079 CD LYS A 72 -1.330 7.471 9.453 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.834 7.875 8.066 1.00 0.00 C ATOM 1081 NZ LYS A 72 -0.693 7.595 7.150 1.00 0.00 N ATOM 0 H LYS A 72 -2.313 3.371 11.513 1.00 0.00 H new ATOM 0 HA LYS A 72 0.286 4.597 10.774 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.577 5.325 11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.369 6.562 11.726 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.743 5.409 9.175 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.478 5.658 9.185 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.860 8.032 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.272 7.715 9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.717 7.302 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.114 8.928 8.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.960 7.846 6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.131 8.159 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.453 6.584 7.193 1.00 0.00 H new ATOM 1095 N LYS A 73 -0.686 4.391 13.895 1.00 0.00 N ATOM 1096 CA LYS A 73 -0.174 4.560 15.283 1.00 0.00 C ATOM 1097 C LYS A 73 -0.051 3.194 15.962 1.00 0.00 C ATOM 1098 O LYS A 73 -0.647 2.947 16.991 1.00 0.00 O ATOM 1099 CB LYS A 73 -1.227 5.413 15.991 1.00 0.00 C ATOM 1100 CG LYS A 73 -1.442 6.713 15.212 1.00 0.00 C ATOM 1101 CD LYS A 73 -1.742 7.848 16.193 1.00 0.00 C ATOM 1102 CE LYS A 73 -0.429 8.385 16.766 1.00 0.00 C ATOM 1103 NZ LYS A 73 -0.163 9.636 16.001 1.00 0.00 N ATOM 0 H LYS A 73 -1.607 3.959 13.823 1.00 0.00 H new ATOM 0 HA LYS A 73 0.812 5.024 15.309 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.165 4.863 16.066 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.905 5.636 17.008 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.554 6.950 14.625 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.267 6.597 14.509 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.284 8.647 15.687 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.383 7.488 16.998 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.516 8.585 17.834 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.380 7.666 16.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.723 10.066 16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.079 9.413 14.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.947 10.304 16.144 1.00 0.00 H new ATOM 1117 N THR A 74 0.715 2.304 15.393 1.00 0.00 N ATOM 1118 CA THR A 74 0.869 0.954 16.010 1.00 0.00 C ATOM 1119 C THR A 74 1.893 1.012 17.150 1.00 0.00 C ATOM 1120 O THR A 74 2.329 2.073 17.551 1.00 0.00 O ATOM 1121 CB THR A 74 1.374 0.047 14.884 1.00 0.00 C ATOM 1122 OG1 THR A 74 2.692 0.431 14.526 1.00 0.00 O ATOM 1123 CG2 THR A 74 0.456 0.167 13.667 1.00 0.00 C ATOM 0 H THR A 74 1.240 2.451 14.531 1.00 0.00 H new ATOM 0 HA THR A 74 -0.066 0.588 16.434 1.00 0.00 H new ATOM 0 HB THR A 74 1.375 -0.987 15.228 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.958 -0.037 13.707 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.821 -0.481 12.870 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.555 -0.132 13.943 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.446 1.200 13.319 1.00 0.00 H new ATOM 1131 N GLY A 75 2.283 -0.121 17.672 1.00 0.00 N ATOM 1132 CA GLY A 75 3.280 -0.128 18.781 1.00 0.00 C ATOM 1133 C GLY A 75 4.512 -0.929 18.348 1.00 0.00 C ATOM 1134 O GLY A 75 4.611 -1.367 17.218 1.00 0.00 O ATOM 0 H GLY A 75 1.954 -1.041 17.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.566 0.893 19.035 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.842 -0.568 19.677 1.00 0.00 H new ATOM 1138 N LYS A 76 5.455 -1.127 19.234 1.00 0.00 N ATOM 1139 CA LYS A 76 6.680 -1.903 18.866 1.00 0.00 C ATOM 1140 C LYS A 76 6.291 -3.215 18.177 1.00 0.00 C ATOM 1141 O LYS A 76 6.648 -3.463 17.043 1.00 0.00 O ATOM 1142 CB LYS A 76 7.390 -2.181 20.193 1.00 0.00 C ATOM 1143 CG LYS A 76 8.617 -3.062 19.941 1.00 0.00 C ATOM 1144 CD LYS A 76 9.870 -2.359 20.468 1.00 0.00 C ATOM 1145 CE LYS A 76 11.096 -2.858 19.703 1.00 0.00 C ATOM 1146 NZ LYS A 76 11.842 -3.699 20.680 1.00 0.00 N ATOM 0 H LYS A 76 5.431 -0.786 20.195 1.00 0.00 H new ATOM 0 HA LYS A 76 7.318 -1.358 18.170 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.692 -1.243 20.659 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.709 -2.677 20.885 1.00 0.00 H new ATOM 0 HG2 LYS A 76 8.493 -4.026 20.435 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.721 -3.262 18.875 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.770 -1.280 20.352 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.989 -2.555 21.534 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.806 -3.436 18.825 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.707 -2.027 19.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.699 -4.079 20.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.111 -3.121 21.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.238 -4.486 20.993 1.00 0.00 H new ATOM 1160 N GLU A 77 5.552 -4.053 18.852 1.00 0.00 N ATOM 1161 CA GLU A 77 5.130 -5.343 18.235 1.00 0.00 C ATOM 1162 C GLU A 77 3.817 -5.143 17.476 1.00 0.00 C ATOM 1163 O GLU A 77 2.746 -5.190 18.048 1.00 0.00 O ATOM 1164 CB GLU A 77 4.932 -6.302 19.410 1.00 0.00 C ATOM 1165 CG GLU A 77 6.209 -6.351 20.254 1.00 0.00 C ATOM 1166 CD GLU A 77 7.328 -7.014 19.449 1.00 0.00 C ATOM 1167 OE1 GLU A 77 7.048 -7.990 18.774 1.00 0.00 O ATOM 1168 OE2 GLU A 77 8.446 -6.533 19.521 1.00 0.00 O ATOM 0 H GLU A 77 5.222 -3.900 19.805 1.00 0.00 H new ATOM 0 HA GLU A 77 5.861 -5.726 17.523 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.092 -5.974 20.022 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.689 -7.299 19.042 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.504 -5.343 20.545 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.029 -6.908 21.173 1.00 0.00 H new ATOM 1175 N VAL A 78 3.888 -4.907 16.193 1.00 0.00 N ATOM 1176 CA VAL A 78 2.639 -4.691 15.410 1.00 0.00 C ATOM 1177 C VAL A 78 1.973 -6.027 15.077 1.00 0.00 C ATOM 1178 O VAL A 78 2.073 -6.522 13.971 1.00 0.00 O ATOM 1179 CB VAL A 78 3.094 -3.982 14.136 1.00 0.00 C ATOM 1180 CG1 VAL A 78 1.890 -3.745 13.222 1.00 0.00 C ATOM 1181 CG2 VAL A 78 3.727 -2.638 14.499 1.00 0.00 C ATOM 0 H VAL A 78 4.754 -4.855 15.656 1.00 0.00 H new ATOM 0 HA VAL A 78 1.902 -4.108 15.963 1.00 0.00 H new ATOM 0 HB VAL A 78 3.826 -4.603 13.619 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.217 -3.239 12.314 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.437 -4.702 12.962 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.157 -3.125 13.739 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.052 -2.132 13.590 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.995 -2.019 15.017 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.586 -2.804 15.149 1.00 0.00 H new ATOM 1191 N VAL A 79 1.279 -6.611 16.017 1.00 0.00 N ATOM 1192 CA VAL A 79 0.596 -7.907 15.733 1.00 0.00 C ATOM 1193 C VAL A 79 -0.543 -7.645 14.748 1.00 0.00 C ATOM 1194 O VAL A 79 -1.465 -6.919 15.045 1.00 0.00 O ATOM 1195 CB VAL A 79 0.035 -8.401 17.076 1.00 0.00 C ATOM 1196 CG1 VAL A 79 -0.352 -9.875 16.950 1.00 0.00 C ATOM 1197 CG2 VAL A 79 1.085 -8.252 18.183 1.00 0.00 C ATOM 0 H VAL A 79 1.156 -6.250 16.963 1.00 0.00 H new ATOM 0 HA VAL A 79 1.269 -8.648 15.300 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.839 -7.803 17.333 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.750 -10.229 17.901 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.110 -9.987 16.175 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.528 -10.461 16.685 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.671 -8.606 19.127 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.967 -8.840 17.930 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.365 -7.203 18.280 1.00 0.00 H new ATOM 1207 N LEU A 80 -0.479 -8.200 13.572 1.00 0.00 N ATOM 1208 CA LEU A 80 -1.558 -7.933 12.580 1.00 0.00 C ATOM 1209 C LEU A 80 -2.251 -9.222 12.136 1.00 0.00 C ATOM 1210 O LEU A 80 -1.762 -9.942 11.286 1.00 0.00 O ATOM 1211 CB LEU A 80 -0.835 -7.274 11.402 1.00 0.00 C ATOM 1212 CG LEU A 80 -0.982 -5.741 11.453 1.00 0.00 C ATOM 1213 CD1 LEU A 80 -0.738 -5.215 12.873 1.00 0.00 C ATOM 1214 CD2 LEU A 80 0.045 -5.109 10.512 1.00 0.00 C ATOM 0 H LEU A 80 0.265 -8.821 13.255 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.346 -7.306 12.997 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.221 -7.543 11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.242 -7.651 10.464 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.996 -5.480 11.149 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.847 -4.131 12.883 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.463 -5.659 13.555 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.270 -5.481 13.191 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.053 -4.024 10.543 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.049 -5.392 10.827 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.129 -5.460 9.495 1.00 0.00 H new ATOM 1226 N GLU A 81 -3.405 -9.501 12.679 1.00 0.00 N ATOM 1227 CA GLU A 81 -4.147 -10.723 12.254 1.00 0.00 C ATOM 1228 C GLU A 81 -4.519 -10.556 10.784 1.00 0.00 C ATOM 1229 O GLU A 81 -5.048 -9.535 10.390 1.00 0.00 O ATOM 1230 CB GLU A 81 -5.399 -10.765 13.129 1.00 0.00 C ATOM 1231 CG GLU A 81 -6.214 -12.015 12.789 1.00 0.00 C ATOM 1232 CD GLU A 81 -7.138 -12.357 13.960 1.00 0.00 C ATOM 1233 OE1 GLU A 81 -6.645 -12.442 15.073 1.00 0.00 O ATOM 1234 OE2 GLU A 81 -8.323 -12.529 13.722 1.00 0.00 O ATOM 0 H GLU A 81 -3.865 -8.939 13.395 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.570 -11.642 12.362 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.120 -10.775 14.183 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -6.000 -9.870 12.967 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -6.801 -11.845 11.887 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.547 -12.852 12.582 1.00 0.00 H new ATOM 1241 N VAL A 82 -4.219 -11.519 9.960 1.00 0.00 N ATOM 1242 CA VAL A 82 -4.526 -11.359 8.510 1.00 0.00 C ATOM 1243 C VAL A 82 -5.238 -12.590 7.940 1.00 0.00 C ATOM 1244 O VAL A 82 -4.937 -13.714 8.276 1.00 0.00 O ATOM 1245 CB VAL A 82 -3.143 -11.159 7.845 1.00 0.00 C ATOM 1246 CG1 VAL A 82 -2.140 -12.191 8.360 1.00 0.00 C ATOM 1247 CG2 VAL A 82 -3.243 -11.327 6.332 1.00 0.00 C ATOM 0 H VAL A 82 -3.779 -12.401 10.222 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.204 -10.525 8.328 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.809 -10.151 8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.175 -12.032 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.030 -12.084 9.439 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.499 -13.194 8.129 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.260 -11.182 5.884 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.603 -12.329 6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.937 -10.590 5.929 1.00 0.00 H new ATOM 1257 N LYS A 83 -6.150 -12.364 7.035 1.00 0.00 N ATOM 1258 CA LYS A 83 -6.857 -13.492 6.375 1.00 0.00 C ATOM 1259 C LYS A 83 -6.315 -13.596 4.951 1.00 0.00 C ATOM 1260 O LYS A 83 -6.817 -12.973 4.035 1.00 0.00 O ATOM 1261 CB LYS A 83 -8.339 -13.111 6.370 1.00 0.00 C ATOM 1262 CG LYS A 83 -9.164 -14.304 5.877 1.00 0.00 C ATOM 1263 CD LYS A 83 -10.591 -13.850 5.559 1.00 0.00 C ATOM 1264 CE LYS A 83 -11.418 -15.053 5.102 1.00 0.00 C ATOM 1265 NZ LYS A 83 -12.804 -14.530 4.950 1.00 0.00 N ATOM 0 H LYS A 83 -6.437 -11.436 6.723 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.717 -14.450 6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.656 -12.824 7.372 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.503 -12.248 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.703 -14.735 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.182 -15.085 6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.045 -13.397 6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.577 -13.088 4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.043 -15.456 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.378 -15.860 5.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.432 -15.298 4.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.137 -14.159 5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.812 -13.767 4.243 1.00 0.00 H new ATOM 1279 N TYR A 84 -5.262 -14.340 4.770 1.00 0.00 N ATOM 1280 CA TYR A 84 -4.647 -14.449 3.416 1.00 0.00 C ATOM 1281 C TYR A 84 -5.670 -14.922 2.381 1.00 0.00 C ATOM 1282 O TYR A 84 -6.100 -16.058 2.391 1.00 0.00 O ATOM 1283 CB TYR A 84 -3.526 -15.487 3.569 1.00 0.00 C ATOM 1284 CG TYR A 84 -2.343 -15.195 2.649 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -2.410 -14.209 1.643 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -1.162 -15.933 2.813 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -1.304 -13.973 0.820 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -0.060 -15.693 1.986 1.00 0.00 C ATOM 1289 CZ TYR A 84 -0.130 -14.714 0.990 1.00 0.00 C ATOM 1290 OH TYR A 84 0.958 -14.479 0.175 1.00 0.00 O ATOM 0 H TYR A 84 -4.798 -14.879 5.501 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.276 -13.486 3.066 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -3.185 -15.501 4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -3.919 -16.480 3.349 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -3.315 -13.636 1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -1.103 -16.690 3.581 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.357 -13.216 0.051 1.00 0.00 H new ATOM 0 HE2 TYR A 84 0.847 -16.265 2.117 1.00 0.00 H new ATOM 0 HH TYR A 84 1.529 -13.794 0.581 1.00 0.00 H new ATOM 1300 N MET A 85 -6.046 -14.065 1.471 1.00 0.00 N ATOM 1301 CA MET A 85 -7.022 -14.476 0.421 1.00 0.00 C ATOM 1302 C MET A 85 -6.262 -15.055 -0.773 1.00 0.00 C ATOM 1303 O MET A 85 -6.430 -14.631 -1.899 1.00 0.00 O ATOM 1304 CB MET A 85 -7.760 -13.196 0.023 1.00 0.00 C ATOM 1305 CG MET A 85 -8.495 -12.633 1.240 1.00 0.00 C ATOM 1306 SD MET A 85 -10.117 -12.014 0.730 1.00 0.00 S ATOM 1307 CE MET A 85 -10.883 -12.013 2.369 1.00 0.00 C ATOM 0 H MET A 85 -5.721 -13.100 1.409 1.00 0.00 H new ATOM 0 HA MET A 85 -7.718 -15.239 0.771 1.00 0.00 H new ATOM 0 HB2 MET A 85 -7.053 -12.460 -0.361 1.00 0.00 H new ATOM 0 HB3 MET A 85 -8.468 -13.406 -0.778 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.611 -13.407 1.999 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.912 -11.830 1.691 1.00 0.00 H new ATOM 0 HE1 MET A 85 -11.727 -11.323 2.376 1.00 0.00 H new ATOM 0 HE2 MET A 85 -11.233 -13.017 2.607 1.00 0.00 H new ATOM 0 HE3 MET A 85 -10.151 -11.698 3.113 1.00 0.00 H new ATOM 1317 N LYS A 86 -5.418 -16.020 -0.528 1.00 0.00 N ATOM 1318 CA LYS A 86 -4.630 -16.631 -1.638 1.00 0.00 C ATOM 1319 C LYS A 86 -5.448 -17.730 -2.323 1.00 0.00 C ATOM 1320 O LYS A 86 -6.621 -17.502 -2.569 1.00 0.00 O ATOM 1321 CB LYS A 86 -3.386 -17.223 -0.964 1.00 0.00 C ATOM 1322 CG LYS A 86 -2.285 -17.422 -2.006 1.00 0.00 C ATOM 1323 CD LYS A 86 -1.088 -18.126 -1.361 1.00 0.00 C ATOM 1324 CE LYS A 86 -1.350 -19.633 -1.302 1.00 0.00 C ATOM 1325 NZ LYS A 86 -0.011 -20.261 -1.490 1.00 0.00 N ATOM 1326 OXT LYS A 86 -4.886 -18.779 -2.590 1.00 0.00 O ATOM 0 H LYS A 86 -5.239 -16.413 0.396 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.367 -15.905 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.037 -16.558 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.633 -18.175 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.662 -18.014 -2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.977 -16.459 -2.413 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.183 -17.926 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.921 -17.736 -0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.791 -19.921 -0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.046 -19.944 -2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.106 -21.296 -1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.381 -19.974 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.628 -19.951 -0.730 1.00 0.00 H new TER 1340 LYS A 86 ATOM 1341 N LYS B 3 -11.073 2.599 -1.084 1.00 0.00 N ATOM 1342 CA LYS B 3 -10.071 3.475 -0.412 1.00 0.00 C ATOM 1343 C LYS B 3 -8.706 2.783 -0.373 1.00 0.00 C ATOM 1344 O LYS B 3 -8.579 1.672 0.096 1.00 0.00 O ATOM 1345 CB LYS B 3 -10.607 3.676 1.005 1.00 0.00 C ATOM 1346 CG LYS B 3 -9.780 4.748 1.717 1.00 0.00 C ATOM 1347 CD LYS B 3 -10.556 5.269 2.929 1.00 0.00 C ATOM 1348 CE LYS B 3 -9.586 5.916 3.918 1.00 0.00 C ATOM 1349 NZ LYS B 3 -9.720 7.381 3.679 1.00 0.00 N ATOM 0 HA LYS B 3 -9.934 4.421 -0.935 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -11.655 3.974 0.970 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.561 2.738 1.559 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -8.823 4.333 2.035 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.560 5.567 1.033 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -11.304 5.995 2.610 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -11.091 4.450 3.411 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -9.839 5.658 4.946 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -8.564 5.579 3.747 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -9.085 7.897 4.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -9.467 7.597 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -10.702 7.673 3.856 1.00 0.00 H new ATOM 1363 N GLU B 4 -7.686 3.433 -0.859 1.00 0.00 N ATOM 1364 CA GLU B 4 -6.332 2.810 -0.846 1.00 0.00 C ATOM 1365 C GLU B 4 -5.357 3.691 -0.055 1.00 0.00 C ATOM 1366 O GLU B 4 -4.728 4.577 -0.597 1.00 0.00 O ATOM 1367 CB GLU B 4 -5.917 2.734 -2.316 1.00 0.00 C ATOM 1368 CG GLU B 4 -4.665 1.867 -2.452 1.00 0.00 C ATOM 1369 CD GLU B 4 -3.653 2.573 -3.358 1.00 0.00 C ATOM 1370 OE1 GLU B 4 -2.979 3.468 -2.875 1.00 0.00 O ATOM 1371 OE2 GLU B 4 -3.571 2.207 -4.519 1.00 0.00 O ATOM 0 H GLU B 4 -7.730 4.368 -1.264 1.00 0.00 H new ATOM 0 HA GLU B 4 -6.331 1.828 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU B 4 -6.728 2.315 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU B 4 -5.722 3.735 -2.701 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -4.227 1.686 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -4.926 0.894 -2.869 1.00 0.00 H new ATOM 1378 N SER B 5 -5.233 3.456 1.223 1.00 0.00 N ATOM 1379 CA SER B 5 -4.304 4.282 2.048 1.00 0.00 C ATOM 1380 C SER B 5 -2.860 3.802 1.871 1.00 0.00 C ATOM 1381 O SER B 5 -2.537 3.114 0.923 1.00 0.00 O ATOM 1382 CB SER B 5 -4.764 4.073 3.492 1.00 0.00 C ATOM 1383 OG SER B 5 -5.343 5.274 3.982 1.00 0.00 O ATOM 0 H SER B 5 -5.734 2.728 1.732 1.00 0.00 H new ATOM 0 HA SER B 5 -4.324 5.333 1.760 1.00 0.00 H new ATOM 0 HB2 SER B 5 -5.489 3.261 3.540 1.00 0.00 H new ATOM 0 HB3 SER B 5 -3.919 3.783 4.116 1.00 0.00 H new ATOM 0 HG SER B 5 -6.310 5.153 4.083 1.00 0.00 H new ATOM 1389 N LEU B 6 -1.990 4.161 2.775 1.00 0.00 N ATOM 1390 CA LEU B 6 -0.567 3.727 2.659 1.00 0.00 C ATOM 1391 C LEU B 6 0.196 4.086 3.942 1.00 0.00 C ATOM 1392 O LEU B 6 0.605 5.214 4.137 1.00 0.00 O ATOM 1393 CB LEU B 6 -0.018 4.497 1.449 1.00 0.00 C ATOM 1394 CG LEU B 6 1.513 4.395 1.397 1.00 0.00 C ATOM 1395 CD1 LEU B 6 1.937 2.926 1.348 1.00 0.00 C ATOM 1396 CD2 LEU B 6 2.029 5.114 0.149 1.00 0.00 C ATOM 0 H LEU B 6 -2.202 4.737 3.590 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.463 2.650 2.527 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -0.447 4.096 0.530 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.317 5.543 1.510 1.00 0.00 H new ATOM 0 HG LEU B 6 1.933 4.860 2.289 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.025 2.862 1.311 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.573 2.412 2.238 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.516 2.455 0.460 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.116 5.042 0.111 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.603 4.650 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.736 6.163 0.186 1.00 0.00 H new ATOM 1408 N VAL B 7 0.389 3.135 4.816 1.00 0.00 N ATOM 1409 CA VAL B 7 1.123 3.422 6.081 1.00 0.00 C ATOM 1410 C VAL B 7 2.535 2.830 6.021 1.00 0.00 C ATOM 1411 O VAL B 7 3.260 2.973 6.993 1.00 0.00 O ATOM 1412 CB VAL B 7 0.300 2.743 7.176 1.00 0.00 C ATOM 1413 CG1 VAL B 7 0.995 2.934 8.527 1.00 0.00 C ATOM 1414 CG2 VAL B 7 -1.095 3.369 7.228 1.00 0.00 C ATOM 1415 OXT VAL B 7 2.867 2.245 5.004 1.00 0.00 O ATOM 0 H VAL B 7 0.070 2.172 4.708 1.00 0.00 H new ATOM 0 HA VAL B 7 1.237 4.491 6.260 1.00 0.00 H new ATOM 0 HB VAL B 7 0.213 1.679 6.958 1.00 0.00 H new ATOM 0 HG11 VAL B 7 0.409 2.450 9.309 1.00 0.00 H new ATOM 0 HG12 VAL B 7 1.989 2.489 8.491 1.00 0.00 H new ATOM 0 HG13 VAL B 7 1.082 3.999 8.744 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -1.682 2.885 8.009 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -1.008 4.433 7.446 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -1.590 3.235 6.266 1.00 0.00 H new TER 1425 VAL B 7