USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 807 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 108 LYS NZ :NH3+ -120:sc= -0.0654 (180deg=-0.266) USER MOD Set 1.2: A 110 ASN :FLIP amide:sc= -0.174 F(o=-2.8!,f=-0.24) USER MOD Set 2.1: A 86 ASN :FLIP amide:sc= -0.0326 F(o=-3.4!,f=1.1) USER MOD Set 2.2: A 104 THR OG1 : rot -5:sc= 1.12 USER MOD Set 3.1: A 72 HIS : no HE2:sc= -3.8! C(o=-10!,f=-17!) USER MOD Set 3.2: A 74 HIS : no HE2:sc= -6.62! C(o=-10!,f=-14!) USER MOD Set 4.1: A 55 ASN : amide:sc= -0.257 K(o=0.8,f=-4.1!) USER MOD Set 4.2: A 57 TYR OH : rot -17:sc= 1.05 USER MOD Set 5.1: A 37 TYR OH : rot 85:sc= -5.55 USER MOD Set 5.2: A 90 MET CE :methyl 174:sc= -4.92! (180deg=-5.45!) USER MOD Set 6.1: A 28 SER OG : rot 71:sc= 0.885 USER MOD Set 6.2: A 89 TYR OH : rot 178:sc= 0.656 USER MOD Set 7.1: A 7 LYS NZ :NH3+ -143:sc= 0.369 (180deg=0) USER MOD Set 7.2: A 10 ASN : amide:sc= -1.67! C(o=-1.3!,f=-4.8!) USER MOD Single : A 3 HIS :FLIP no HD1:sc= -5.85! C(o=-8!,f=-5.9!) USER MOD Single : A 4 LYS NZ :NH3+ 133:sc= -0.088 (180deg=-0.492) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -28.2! C(o=-28!,f=-35!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0332 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0119 F(o=-1.6,f=-0.012) USER MOD Single : A 29 ASN : amide:sc= -3.17! C(o=-3.2!,f=-3.7!) USER MOD Single : A 31 THR OG1 : rot -174:sc= -0.371 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 25:sc= -0.49 USER MOD Single : A 47 ASN : amide:sc= -3.95! C(o=-3.9!,f=-5.6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 169:sc= -0.577 (180deg=-0.582) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0258 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.107 (180deg=-0.476) USER MOD Single : A 62 SER OG : rot -91:sc= 0.00115 USER MOD Single : A 63 LYS NZ :NH3+ -178:sc= -0.0732 (180deg=-0.0883) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0151) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -8.5! C(o=-8.5!,f=-12!) USER MOD Single : A 88 THR OG1 : rot 81:sc= 0.938 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.0933 X(o=-0.093,f=0) USER MOD Single : A 100 SER OG : rot -85:sc= 0.239 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -6.194 -10.019 5.392 1.00 0.59 N ATOM 2 CA HIS A 3 -5.245 -9.100 5.988 1.00 0.46 C ATOM 3 C HIS A 3 -5.376 -7.738 5.324 1.00 0.43 C ATOM 4 O HIS A 3 -5.574 -7.649 4.113 1.00 0.47 O ATOM 5 CB HIS A 3 -3.808 -9.620 5.826 1.00 0.45 C ATOM 6 CG HIS A 3 -2.767 -8.576 6.099 1.00 0.42 C ATOM 7 ND1 HIS A 3 -1.820 -8.040 5.291 1.00 0.47 N flip ATOM 8 CD2 HIS A 3 -2.638 -7.942 7.313 1.00 0.45 C flip ATOM 9 CE1 HIS A 3 -1.150 -7.091 6.029 1.00 0.52 C flip ATOM 10 NE2 HIS A 3 -1.665 -7.055 7.245 1.00 0.51 N flip ATOM 0 HA HIS A 3 -5.462 -9.014 7.053 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.655 -10.462 6.502 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.677 -9.997 4.812 1.00 0.45 H new ATOM 0 HD2 HIS A 3 -3.241 -8.140 8.187 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -0.337 -6.476 5.672 1.00 0.52 H new ATOM 0 HE2 HIS A 3 -1.361 -6.444 8.003 1.00 0.51 H new ATOM 19 N LYS A 4 -5.265 -6.689 6.115 1.00 0.40 N ATOM 20 CA LYS A 4 -5.255 -5.337 5.590 1.00 0.39 C ATOM 21 C LYS A 4 -4.208 -4.517 6.333 1.00 0.35 C ATOM 22 O LYS A 4 -4.095 -4.606 7.555 1.00 0.43 O ATOM 23 CB LYS A 4 -6.644 -4.704 5.732 1.00 0.54 C ATOM 24 CG LYS A 4 -7.060 -4.430 7.171 1.00 0.90 C ATOM 25 CD LYS A 4 -8.407 -3.725 7.250 1.00 1.13 C ATOM 26 CE LYS A 4 -9.552 -4.649 6.864 1.00 1.92 C ATOM 27 NZ LYS A 4 -9.641 -5.827 7.765 1.00 2.36 N ATOM 0 H LYS A 4 -5.180 -6.748 7.130 1.00 0.40 H new ATOM 0 HA LYS A 4 -5.001 -5.358 4.530 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -6.663 -3.767 5.175 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -7.380 -5.363 5.272 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -7.110 -5.371 7.719 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -6.301 -3.818 7.658 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -8.565 -3.355 8.263 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -8.402 -2.857 6.591 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -10.491 -4.096 6.895 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -9.415 -4.987 5.837 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -10.628 -5.962 8.063 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -9.312 -6.675 7.261 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -9.045 -5.669 8.603 1.00 2.36 H new ATOM 41 N VAL A 5 -3.401 -3.761 5.608 1.00 0.31 N ATOM 42 CA VAL A 5 -2.411 -2.929 6.272 1.00 0.33 C ATOM 43 C VAL A 5 -2.812 -1.442 6.199 1.00 0.27 C ATOM 44 O VAL A 5 -3.085 -0.925 5.124 1.00 0.29 O ATOM 45 CB VAL A 5 -0.959 -3.222 5.746 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.353 -2.091 4.939 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.077 -3.581 6.923 1.00 0.49 C ATOM 0 H VAL A 5 -3.408 -3.705 4.590 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.389 -3.189 7.330 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.029 -4.058 5.050 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.648 -2.372 4.613 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -0.976 -1.892 4.067 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.295 -1.194 5.556 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.934 -3.787 6.571 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.054 -2.749 7.627 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.475 -4.466 7.420 1.00 0.49 H new ATOM 57 N THR A 6 -2.877 -0.767 7.371 1.00 0.41 N ATOM 58 CA THR A 6 -3.320 0.647 7.458 1.00 0.33 C ATOM 59 C THR A 6 -2.235 1.560 8.072 1.00 0.37 C ATOM 60 O THR A 6 -1.437 1.093 8.884 1.00 0.51 O ATOM 61 CB THR A 6 -4.625 0.768 8.259 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.702 -0.293 9.220 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.824 0.726 7.326 1.00 0.36 C ATOM 0 H THR A 6 -2.628 -1.178 8.271 1.00 0.41 H new ATOM 0 HA THR A 6 -3.499 0.983 6.437 1.00 0.33 H new ATOM 0 HB THR A 6 -4.633 1.723 8.784 1.00 0.36 H new ATOM 0 HG1 THR A 6 -5.535 -0.212 9.731 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.741 0.813 7.908 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.764 1.553 6.619 1.00 0.36 H new ATOM 0 HG23 THR A 6 -5.828 -0.218 6.781 1.00 0.36 H new ATOM 71 N LYS A 7 -2.253 2.854 7.689 1.00 0.30 N ATOM 72 CA LYS A 7 -1.061 3.756 7.675 1.00 0.28 C ATOM 73 C LYS A 7 0.014 3.480 8.741 1.00 0.27 C ATOM 74 O LYS A 7 1.196 3.477 8.400 1.00 0.32 O ATOM 75 CB LYS A 7 -1.501 5.220 7.777 1.00 0.27 C ATOM 76 CG LYS A 7 -0.352 6.229 7.694 1.00 0.28 C ATOM 77 CD LYS A 7 0.521 5.996 6.465 1.00 0.42 C ATOM 78 CE LYS A 7 1.492 7.152 6.218 1.00 0.35 C ATOM 79 NZ LYS A 7 2.532 7.262 7.276 1.00 0.83 N ATOM 0 H LYS A 7 -3.105 3.318 7.374 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.581 3.541 6.720 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -2.212 5.430 6.978 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -2.029 5.364 8.720 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -0.758 7.240 7.665 1.00 0.28 H new ATOM 0 HG3 LYS A 7 0.260 6.157 8.593 1.00 0.28 H new ATOM 0 HD2 LYS A 7 1.084 5.071 6.592 1.00 0.42 H new ATOM 0 HD3 LYS A 7 -0.115 5.865 5.589 1.00 0.42 H new ATOM 0 HE2 LYS A 7 1.976 7.015 5.251 1.00 0.35 H new ATOM 0 HE3 LYS A 7 0.933 8.086 6.165 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 2.734 8.265 7.462 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 2.189 6.811 8.148 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 3.401 6.787 6.959 1.00 0.83 H new ATOM 93 N ALA A 8 -0.370 3.264 9.998 1.00 0.25 N ATOM 94 CA ALA A 8 0.589 2.942 11.077 1.00 0.26 C ATOM 95 C ALA A 8 1.633 1.917 10.621 1.00 0.23 C ATOM 96 O ALA A 8 2.816 1.966 10.991 1.00 0.24 O ATOM 97 CB ALA A 8 -0.169 2.375 12.256 1.00 0.33 C ATOM 0 H ALA A 8 -1.342 3.304 10.305 1.00 0.25 H new ATOM 0 HA ALA A 8 1.109 3.860 11.352 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.530 2.135 13.057 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -0.890 3.110 12.613 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -0.695 1.471 11.950 1.00 0.33 H new ATOM 103 N HIS A 9 1.169 1.012 9.781 1.00 0.23 N ATOM 104 CA HIS A 9 1.974 -0.061 9.227 1.00 0.23 C ATOM 105 C HIS A 9 3.242 0.440 8.514 1.00 0.23 C ATOM 106 O HIS A 9 4.043 -0.365 8.050 1.00 0.25 O ATOM 107 CB HIS A 9 1.126 -0.835 8.230 1.00 0.28 C ATOM 108 CG HIS A 9 0.803 0.003 7.064 1.00 0.89 C ATOM 109 ND1 HIS A 9 -0.438 0.227 6.605 1.00 0.97 N ATOM 110 CD2 HIS A 9 1.601 0.743 6.337 1.00 1.63 C ATOM 111 CE1 HIS A 9 -0.401 1.096 5.636 1.00 1.69 C ATOM 112 NE2 HIS A 9 0.840 1.438 5.440 1.00 2.12 N ATOM 0 H HIS A 9 0.202 1.001 9.458 1.00 0.23 H new ATOM 0 HA HIS A 9 2.299 -0.687 10.058 1.00 0.23 H new ATOM 0 HB2 HIS A 9 1.660 -1.728 7.906 1.00 0.28 H new ATOM 0 HB3 HIS A 9 0.206 -1.170 8.710 1.00 0.28 H new ATOM 0 HD2 HIS A 9 2.676 0.795 6.430 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -1.254 1.469 5.088 1.00 1.69 H new ATOM 0 HE2 HIS A 9 1.181 2.102 4.745 1.00 2.12 H new ATOM 121 N ASN A 10 3.350 1.767 8.320 1.00 0.22 N ATOM 122 CA ASN A 10 4.450 2.359 7.552 1.00 0.24 C ATOM 123 C ASN A 10 5.762 1.941 8.223 1.00 0.24 C ATOM 124 O ASN A 10 6.843 2.014 7.644 1.00 0.26 O ATOM 125 CB ASN A 10 4.270 3.894 7.488 1.00 0.31 C ATOM 126 CG ASN A 10 5.119 4.610 6.446 1.00 0.56 C ATOM 127 OD1 ASN A 10 4.673 5.608 5.881 1.00 1.41 O ATOM 128 ND2 ASN A 10 6.322 4.138 6.191 1.00 0.96 N ATOM 0 H ASN A 10 2.685 2.447 8.687 1.00 0.22 H new ATOM 0 HA ASN A 10 4.461 2.005 6.521 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.221 4.111 7.288 1.00 0.31 H new ATOM 0 HB3 ASN A 10 4.501 4.311 8.468 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.917 4.603 5.505 1.00 0.96 H new ATOM 0 HD22 ASN A 10 6.658 3.308 6.679 1.00 0.96 H new ATOM 135 N GLY A 11 5.613 1.458 9.450 1.00 0.25 N ATOM 136 CA GLY A 11 6.691 0.800 10.152 1.00 0.26 C ATOM 137 C GLY A 11 6.193 -0.481 10.792 1.00 0.25 C ATOM 138 O GLY A 11 6.251 -0.636 12.013 1.00 0.30 O ATOM 0 H GLY A 11 4.743 1.514 9.979 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.503 0.578 9.460 1.00 0.26 H new ATOM 0 HA3 GLY A 11 7.096 1.464 10.916 1.00 0.26 H new ATOM 142 N ALA A 12 5.666 -1.390 9.972 1.00 0.24 N ATOM 143 CA ALA A 12 5.031 -2.599 10.485 1.00 0.27 C ATOM 144 C ALA A 12 5.762 -3.872 10.068 1.00 0.28 C ATOM 145 O ALA A 12 6.409 -3.920 9.017 1.00 0.31 O ATOM 146 CB ALA A 12 3.586 -2.692 10.043 1.00 0.32 C ATOM 0 H ALA A 12 5.667 -1.311 8.955 1.00 0.24 H new ATOM 0 HA ALA A 12 5.079 -2.520 11.571 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.142 -3.604 10.442 1.00 0.32 H new ATOM 0 HB2 ALA A 12 3.036 -1.828 10.414 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.539 -2.712 8.954 1.00 0.32 H new ATOM 152 N THR A 13 5.646 -4.903 10.898 1.00 0.39 N ATOM 153 CA THR A 13 6.164 -6.230 10.585 1.00 0.44 C ATOM 154 C THR A 13 5.295 -7.304 11.258 1.00 0.56 C ATOM 155 O THR A 13 5.327 -7.467 12.478 1.00 0.95 O ATOM 156 CB THR A 13 7.631 -6.381 11.042 1.00 0.71 C ATOM 157 OG1 THR A 13 8.410 -5.280 10.554 1.00 0.89 O ATOM 158 CG2 THR A 13 8.228 -7.679 10.528 1.00 0.74 C ATOM 0 H THR A 13 5.189 -4.842 11.808 1.00 0.39 H new ATOM 0 HA THR A 13 6.130 -6.359 9.503 1.00 0.44 H new ATOM 0 HB THR A 13 7.646 -6.393 12.132 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.339 -5.381 10.848 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.262 -7.762 10.863 1.00 0.74 H new ATOM 0 HG22 THR A 13 7.653 -8.521 10.913 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.198 -7.687 9.438 1.00 0.74 H new ATOM 166 N LEU A 14 4.519 -8.031 10.460 1.00 0.39 N ATOM 167 CA LEU A 14 3.520 -8.958 10.991 1.00 0.70 C ATOM 168 C LEU A 14 3.290 -10.133 10.036 1.00 0.35 C ATOM 169 O LEU A 14 3.723 -10.103 8.889 1.00 0.88 O ATOM 170 CB LEU A 14 2.187 -8.232 11.266 1.00 1.51 C ATOM 171 CG LEU A 14 1.462 -7.638 10.045 1.00 2.04 C ATOM 172 CD1 LEU A 14 0.035 -7.267 10.416 1.00 2.43 C ATOM 173 CD2 LEU A 14 2.194 -6.411 9.518 1.00 3.00 C ATOM 0 H LEU A 14 4.561 -7.997 9.441 1.00 0.39 H new ATOM 0 HA LEU A 14 3.906 -9.351 11.932 1.00 0.70 H new ATOM 0 HB2 LEU A 14 1.511 -8.934 11.755 1.00 1.51 H new ATOM 0 HB3 LEU A 14 2.378 -7.426 11.975 1.00 1.51 H new ATOM 0 HG LEU A 14 1.447 -8.393 9.259 1.00 2.04 H new ATOM 0 HD11 LEU A 14 -0.470 -6.848 9.546 1.00 2.43 H new ATOM 0 HD12 LEU A 14 -0.497 -8.158 10.750 1.00 2.43 H new ATOM 0 HD13 LEU A 14 0.048 -6.529 11.218 1.00 2.43 H new ATOM 0 HD21 LEU A 14 1.660 -6.011 8.656 1.00 3.00 H new ATOM 0 HD22 LEU A 14 2.241 -5.652 10.299 1.00 3.00 H new ATOM 0 HD23 LEU A 14 3.205 -6.690 9.222 1.00 3.00 H new ATOM 185 N THR A 15 2.617 -11.169 10.519 1.00 0.70 N ATOM 186 CA THR A 15 2.285 -12.324 9.692 1.00 0.74 C ATOM 187 C THR A 15 0.817 -12.277 9.276 1.00 0.82 C ATOM 188 O THR A 15 -0.037 -11.818 10.038 1.00 1.21 O ATOM 189 CB THR A 15 2.542 -13.649 10.433 1.00 1.40 C ATOM 190 OG1 THR A 15 3.944 -13.807 10.686 1.00 1.55 O ATOM 191 CG2 THR A 15 2.022 -14.828 9.619 1.00 1.73 C ATOM 0 H THR A 15 2.289 -11.234 11.483 1.00 0.70 H new ATOM 0 HA THR A 15 2.928 -12.281 8.813 1.00 0.74 H new ATOM 0 HB THR A 15 2.009 -13.623 11.384 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.098 -14.651 11.159 1.00 1.55 H new ATOM 0 HG21 THR A 15 2.213 -15.755 10.159 1.00 1.73 H new ATOM 0 HG22 THR A 15 0.950 -14.715 9.459 1.00 1.73 H new ATOM 0 HG23 THR A 15 2.531 -14.858 8.656 1.00 1.73 H new ATOM 199 N VAL A 16 0.533 -12.735 8.061 1.00 0.57 N ATOM 200 CA VAL A 16 -0.824 -12.719 7.541 1.00 0.64 C ATOM 201 C VAL A 16 -1.235 -14.086 7.013 1.00 0.59 C ATOM 202 O VAL A 16 -0.394 -14.915 6.671 1.00 0.59 O ATOM 203 CB VAL A 16 -0.960 -11.680 6.412 1.00 0.64 C ATOM 204 CG1 VAL A 16 -0.275 -10.397 6.827 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.393 -12.182 5.099 1.00 0.63 C ATOM 0 H VAL A 16 1.226 -13.121 7.420 1.00 0.57 H new ATOM 0 HA VAL A 16 -1.482 -12.451 8.367 1.00 0.64 H new ATOM 0 HB VAL A 16 -2.022 -11.497 6.248 1.00 0.64 H new ATOM 0 HG11 VAL A 16 -0.370 -9.660 6.030 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.741 -10.013 7.734 1.00 0.78 H new ATOM 0 HG13 VAL A 16 0.780 -10.593 7.017 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.512 -11.415 4.334 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.666 -12.409 5.223 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -0.924 -13.084 4.794 1.00 0.63 H new ATOM 215 N ALA A 17 -2.533 -14.320 6.977 1.00 0.63 N ATOM 216 CA ALA A 17 -3.086 -15.479 6.310 1.00 0.60 C ATOM 217 C ALA A 17 -3.714 -15.025 5.007 1.00 0.55 C ATOM 218 O ALA A 17 -4.360 -13.980 4.966 1.00 0.76 O ATOM 219 CB ALA A 17 -4.117 -16.152 7.198 1.00 0.75 C ATOM 0 H ALA A 17 -3.230 -13.713 7.408 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.300 -16.205 6.104 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.526 -17.023 6.685 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.645 -16.467 8.129 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -4.921 -15.450 7.419 1.00 0.75 H new ATOM 225 N VAL A 18 -3.509 -15.775 3.942 1.00 0.54 N ATOM 226 CA VAL A 18 -4.027 -15.376 2.643 1.00 0.50 C ATOM 227 C VAL A 18 -5.066 -16.363 2.132 1.00 0.49 C ATOM 228 O VAL A 18 -5.386 -17.346 2.801 1.00 0.59 O ATOM 229 CB VAL A 18 -2.905 -15.225 1.597 1.00 0.58 C ATOM 230 CG1 VAL A 18 -1.887 -14.193 2.045 1.00 1.23 C ATOM 231 CG2 VAL A 18 -2.233 -16.559 1.317 1.00 1.12 C ATOM 0 H VAL A 18 -2.993 -16.655 3.947 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.500 -14.404 2.786 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.358 -14.877 0.668 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -1.104 -14.103 1.292 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -2.379 -13.229 2.174 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -1.445 -14.505 2.991 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.446 -16.421 0.576 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.800 -16.949 2.238 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -2.971 -17.265 0.936 1.00 1.12 H new ATOM 241 N GLY A 19 -5.578 -16.095 0.942 1.00 0.52 N ATOM 242 CA GLY A 19 -6.609 -16.925 0.359 1.00 0.55 C ATOM 243 C GLY A 19 -7.732 -16.089 -0.203 1.00 0.59 C ATOM 244 O GLY A 19 -8.008 -16.133 -1.402 1.00 0.71 O ATOM 0 H GLY A 19 -5.293 -15.306 0.362 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.180 -17.540 -0.432 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -7.002 -17.605 1.115 1.00 0.55 H new ATOM 248 N GLU A 20 -8.376 -15.317 0.663 1.00 0.57 N ATOM 249 CA GLU A 20 -9.404 -14.386 0.229 1.00 0.64 C ATOM 250 C GLU A 20 -8.758 -13.181 -0.433 1.00 0.50 C ATOM 251 O GLU A 20 -8.811 -13.015 -1.651 1.00 0.50 O ATOM 252 CB GLU A 20 -10.234 -13.890 1.410 1.00 0.76 C ATOM 253 CG GLU A 20 -10.775 -14.980 2.310 1.00 0.96 C ATOM 254 CD GLU A 20 -11.488 -14.400 3.508 1.00 1.55 C ATOM 255 OE1 GLU A 20 -10.826 -14.138 4.537 1.00 2.35 O ATOM 256 OE2 GLU A 20 -12.720 -14.231 3.439 1.00 1.75 O ATOM 0 H GLU A 20 -8.203 -15.319 1.668 1.00 0.57 H new ATOM 0 HA GLU A 20 -10.052 -14.912 -0.472 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.621 -13.215 2.008 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -11.071 -13.306 1.027 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -11.461 -15.612 1.747 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -9.957 -15.617 2.645 1.00 0.96 H new ATOM 263 N LEU A 21 -8.134 -12.354 0.394 1.00 0.45 N ATOM 264 CA LEU A 21 -7.528 -11.119 -0.062 1.00 0.32 C ATOM 265 C LEU A 21 -6.599 -10.559 1.002 1.00 0.38 C ATOM 266 O LEU A 21 -6.955 -10.491 2.176 1.00 0.64 O ATOM 267 CB LEU A 21 -8.617 -10.092 -0.384 1.00 0.39 C ATOM 268 CG LEU A 21 -8.116 -8.682 -0.703 1.00 0.44 C ATOM 269 CD1 LEU A 21 -7.237 -8.694 -1.941 1.00 0.56 C ATOM 270 CD2 LEU A 21 -9.289 -7.733 -0.888 1.00 0.71 C ATOM 0 H LEU A 21 -8.036 -12.523 1.395 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.949 -11.328 -0.961 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.195 -10.455 -1.234 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -9.300 -10.034 0.464 1.00 0.39 H new ATOM 0 HG LEU A 21 -7.516 -8.330 0.137 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -6.891 -7.682 -2.151 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -6.378 -9.343 -1.771 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -7.810 -9.065 -2.791 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -8.917 -6.734 -1.114 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -9.913 -8.082 -1.710 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -9.879 -7.701 0.028 1.00 0.71 H new ATOM 282 N VAL A 22 -5.411 -10.162 0.591 1.00 0.27 N ATOM 283 CA VAL A 22 -4.486 -9.501 1.487 1.00 0.28 C ATOM 284 C VAL A 22 -4.165 -8.114 0.948 1.00 0.30 C ATOM 285 O VAL A 22 -3.563 -7.967 -0.109 1.00 0.37 O ATOM 286 CB VAL A 22 -3.204 -10.349 1.707 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.990 -9.477 1.982 1.00 0.40 C ATOM 288 CG2 VAL A 22 -3.427 -11.304 2.860 1.00 0.38 C ATOM 0 H VAL A 22 -5.064 -10.286 -0.360 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.954 -9.393 2.466 1.00 0.28 H new ATOM 0 HB VAL A 22 -3.005 -10.907 0.792 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -1.114 -10.109 2.130 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.819 -8.813 1.134 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -2.165 -8.883 2.879 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -2.529 -11.901 3.017 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -3.649 -10.737 3.764 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -4.265 -11.963 2.630 1.00 0.38 H new ATOM 298 N GLU A 23 -4.594 -7.084 1.652 1.00 0.29 N ATOM 299 CA GLU A 23 -4.447 -5.751 1.116 1.00 0.36 C ATOM 300 C GLU A 23 -3.445 -4.916 1.878 1.00 0.27 C ATOM 301 O GLU A 23 -3.130 -5.160 3.048 1.00 0.37 O ATOM 302 CB GLU A 23 -5.780 -5.007 1.029 1.00 0.58 C ATOM 303 CG GLU A 23 -6.184 -4.239 2.282 1.00 0.96 C ATOM 304 CD GLU A 23 -7.420 -3.385 2.058 1.00 0.99 C ATOM 305 OE1 GLU A 23 -7.330 -2.379 1.332 1.00 1.06 O ATOM 306 OE2 GLU A 23 -8.494 -3.712 2.626 1.00 1.09 O ATOM 0 H GLU A 23 -5.035 -7.143 2.570 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.064 -5.895 0.106 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -5.732 -4.307 0.194 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -6.564 -5.728 0.797 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -6.373 -4.943 3.092 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -5.357 -3.603 2.599 1.00 0.96 H new ATOM 313 N ILE A 24 -2.959 -3.931 1.168 1.00 0.25 N ATOM 314 CA ILE A 24 -2.057 -2.937 1.683 1.00 0.24 C ATOM 315 C ILE A 24 -2.654 -1.580 1.374 1.00 0.29 C ATOM 316 O ILE A 24 -2.590 -1.124 0.239 1.00 0.54 O ATOM 317 CB ILE A 24 -0.688 -3.029 0.983 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.090 -4.437 1.110 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.264 -1.975 1.524 1.00 0.32 C ATOM 320 CD1 ILE A 24 0.235 -4.847 2.529 1.00 0.27 C ATOM 0 H ILE A 24 -3.189 -3.795 0.183 1.00 0.25 H new ATOM 0 HA ILE A 24 -1.917 -3.090 2.753 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.839 -2.834 -0.079 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.791 -5.157 0.687 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.820 -4.489 0.511 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.225 -2.058 1.016 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.154 -0.984 1.350 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.405 -2.127 2.594 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.653 -5.854 2.530 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.961 -4.152 2.951 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.674 -4.831 3.130 1.00 0.27 H new ATOM 332 N GLN A 25 -3.245 -0.929 2.344 1.00 0.21 N ATOM 333 CA GLN A 25 -3.939 0.301 2.052 1.00 0.22 C ATOM 334 C GLN A 25 -3.282 1.490 2.714 1.00 0.20 C ATOM 335 O GLN A 25 -2.904 1.459 3.884 1.00 0.23 O ATOM 336 CB GLN A 25 -5.414 0.199 2.440 1.00 0.27 C ATOM 337 CG GLN A 25 -6.131 1.531 2.426 1.00 0.29 C ATOM 338 CD GLN A 25 -6.464 2.038 3.817 1.00 0.36 C ATOM 339 OE1 GLN A 25 -5.549 2.782 4.415 1.00 0.64 O flip ATOM 340 NE2 GLN A 25 -7.533 1.755 4.350 1.00 0.30 N flip ATOM 0 H GLN A 25 -3.261 -1.220 3.321 1.00 0.21 H new ATOM 0 HA GLN A 25 -3.880 0.461 0.975 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -5.916 -0.483 1.754 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.491 -0.237 3.436 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.509 2.267 1.916 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.051 1.436 1.849 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -8.213 1.178 3.855 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -7.741 2.097 5.288 1.00 0.30 H new ATOM 349 N LEU A 26 -3.147 2.542 1.943 1.00 0.19 N ATOM 350 CA LEU A 26 -2.659 3.795 2.451 1.00 0.18 C ATOM 351 C LEU A 26 -3.781 4.808 2.413 1.00 0.22 C ATOM 352 O LEU A 26 -4.631 4.772 1.533 1.00 0.31 O ATOM 353 CB LEU A 26 -1.455 4.294 1.648 1.00 0.22 C ATOM 354 CG LEU A 26 -0.091 3.763 2.104 1.00 0.28 C ATOM 355 CD1 LEU A 26 0.184 4.157 3.546 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.004 2.254 1.940 1.00 0.85 C ATOM 0 H LEU A 26 -3.373 2.551 0.948 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.323 3.654 3.478 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.600 4.022 0.602 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.435 5.383 1.695 1.00 0.22 H new ATOM 0 HG LEU A 26 0.671 4.215 1.469 1.00 0.28 H new ATOM 0 HD11 LEU A 26 1.157 3.770 3.850 1.00 0.77 H new ATOM 0 HD12 LEU A 26 0.182 5.244 3.633 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.590 3.740 4.191 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.975 1.908 2.272 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -0.780 1.778 2.539 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.145 1.993 0.891 1.00 0.85 H new ATOM 368 N PRO A 27 -3.821 5.706 3.388 1.00 0.21 N ATOM 369 CA PRO A 27 -4.837 6.752 3.454 1.00 0.25 C ATOM 370 C PRO A 27 -4.476 7.929 2.568 1.00 0.26 C ATOM 371 O PRO A 27 -5.138 8.966 2.594 1.00 0.35 O ATOM 372 CB PRO A 27 -4.780 7.171 4.911 1.00 0.27 C ATOM 373 CG PRO A 27 -3.343 7.001 5.264 1.00 0.25 C ATOM 374 CD PRO A 27 -2.881 5.785 4.517 1.00 0.22 C ATOM 0 HA PRO A 27 -5.818 6.413 3.120 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.107 8.202 5.046 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.423 6.549 5.533 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -2.764 7.879 4.979 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.217 6.871 6.339 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -1.851 5.889 4.177 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -2.923 4.891 5.139 1.00 0.22 H new ATOM 382 N SER A 28 -3.410 7.744 1.796 1.00 0.22 N ATOM 383 CA SER A 28 -2.819 8.802 0.989 1.00 0.25 C ATOM 384 C SER A 28 -2.196 9.852 1.898 1.00 0.25 C ATOM 385 O SER A 28 -0.976 9.972 1.967 1.00 0.31 O ATOM 386 CB SER A 28 -3.859 9.431 0.048 1.00 0.35 C ATOM 387 OG SER A 28 -3.253 10.296 -0.898 1.00 0.91 O ATOM 0 H SER A 28 -2.929 6.848 1.713 1.00 0.22 H new ATOM 0 HA SER A 28 -2.038 8.370 0.363 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.401 8.643 -0.474 1.00 0.35 H new ATOM 0 HB3 SER A 28 -4.591 9.987 0.634 1.00 0.35 H new ATOM 0 HG SER A 28 -2.754 9.766 -1.554 1.00 0.91 H new ATOM 393 N ASN A 29 -3.038 10.513 2.666 1.00 0.29 N ATOM 394 CA ASN A 29 -2.657 11.677 3.463 1.00 0.36 C ATOM 395 C ASN A 29 -2.181 12.769 2.516 1.00 0.42 C ATOM 396 O ASN A 29 -0.995 13.110 2.494 1.00 0.48 O ATOM 397 CB ASN A 29 -1.535 11.383 4.469 1.00 0.42 C ATOM 398 CG ASN A 29 -1.578 10.003 5.092 1.00 0.60 C ATOM 399 OD1 ASN A 29 -2.320 9.755 6.040 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.737 9.114 4.585 1.00 0.39 N ATOM 0 H ASN A 29 -4.021 10.259 2.760 1.00 0.29 H new ATOM 0 HA ASN A 29 -3.533 11.980 4.037 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.576 11.509 3.967 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -1.578 12.126 5.265 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.686 8.176 4.982 1.00 0.39 H new ATOM 0 HD22 ASN A 29 -0.141 9.367 3.797 1.00 0.39 H new ATOM 407 N PRO A 30 -3.105 13.320 1.719 1.00 0.55 N ATOM 408 CA PRO A 30 -2.778 14.222 0.604 1.00 0.66 C ATOM 409 C PRO A 30 -1.914 15.398 1.031 1.00 0.72 C ATOM 410 O PRO A 30 -2.370 16.308 1.723 1.00 0.82 O ATOM 411 CB PRO A 30 -4.151 14.690 0.128 1.00 0.83 C ATOM 412 CG PRO A 30 -5.050 13.571 0.506 1.00 0.82 C ATOM 413 CD PRO A 30 -4.557 13.123 1.844 1.00 0.75 C ATOM 0 HA PRO A 30 -2.190 13.726 -0.168 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -4.446 15.622 0.610 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -4.163 14.869 -0.947 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -6.089 13.897 0.556 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -5.004 12.763 -0.224 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.981 13.717 2.654 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.811 12.082 2.045 1.00 0.75 H new ATOM 421 N THR A 31 -0.658 15.362 0.610 1.00 0.73 N ATOM 422 CA THR A 31 0.309 16.370 1.005 1.00 0.84 C ATOM 423 C THR A 31 0.358 17.522 0.002 1.00 1.10 C ATOM 424 O THR A 31 0.496 18.683 0.396 1.00 1.83 O ATOM 425 CB THR A 31 1.727 15.759 1.218 1.00 0.96 C ATOM 426 OG1 THR A 31 2.714 16.473 0.463 1.00 1.60 O ATOM 427 CG2 THR A 31 1.770 14.278 0.842 1.00 0.81 C ATOM 0 H THR A 31 -0.286 14.641 -0.008 1.00 0.73 H new ATOM 0 HA THR A 31 -0.024 16.772 1.962 1.00 0.84 H new ATOM 0 HB THR A 31 1.952 15.851 2.280 1.00 0.96 H new ATOM 0 HG1 THR A 31 3.577 16.015 0.538 1.00 1.60 H new ATOM 0 HG21 THR A 31 2.776 13.890 1.005 1.00 0.81 H new ATOM 0 HG22 THR A 31 1.063 13.725 1.461 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.502 14.161 -0.208 1.00 0.81 H new ATOM 435 N THR A 32 0.223 17.210 -1.291 1.00 1.19 N ATOM 436 CA THR A 32 0.253 18.243 -2.326 1.00 1.43 C ATOM 437 C THR A 32 0.035 17.652 -3.726 1.00 1.47 C ATOM 438 O THR A 32 -0.749 18.179 -4.515 1.00 2.05 O ATOM 439 CB THR A 32 1.583 19.051 -2.285 1.00 1.62 C ATOM 440 OG1 THR A 32 1.573 20.084 -3.275 1.00 2.36 O ATOM 441 CG2 THR A 32 2.803 18.158 -2.497 1.00 1.32 C ATOM 0 H THR A 32 0.093 16.261 -1.641 1.00 1.19 H new ATOM 0 HA THR A 32 -0.571 18.924 -2.114 1.00 1.43 H new ATOM 0 HB THR A 32 1.655 19.494 -1.292 1.00 1.62 H new ATOM 0 HG1 THR A 32 2.415 20.583 -3.235 1.00 2.36 H new ATOM 0 HG21 THR A 32 3.708 18.764 -2.461 1.00 1.32 H new ATOM 0 HG22 THR A 32 2.841 17.402 -1.713 1.00 1.32 H new ATOM 0 HG23 THR A 32 2.732 17.670 -3.469 1.00 1.32 H new ATOM 449 N GLY A 33 0.708 16.545 -4.015 1.00 1.30 N ATOM 450 CA GLY A 33 0.640 15.943 -5.337 1.00 1.26 C ATOM 451 C GLY A 33 1.104 14.511 -5.314 1.00 1.01 C ATOM 452 O GLY A 33 0.660 13.694 -6.115 1.00 1.27 O ATOM 0 H GLY A 33 1.305 16.049 -3.353 1.00 1.30 H new ATOM 0 HA2 GLY A 33 -0.384 15.989 -5.707 1.00 1.26 H new ATOM 0 HA3 GLY A 33 1.256 16.515 -6.031 1.00 1.26 H new ATOM 456 N PHE A 34 2.066 14.240 -4.433 1.00 0.86 N ATOM 457 CA PHE A 34 2.492 12.885 -4.132 1.00 0.88 C ATOM 458 C PHE A 34 1.306 11.940 -3.980 1.00 0.79 C ATOM 459 O PHE A 34 0.267 12.307 -3.429 1.00 1.11 O ATOM 460 CB PHE A 34 3.314 12.865 -2.840 1.00 1.25 C ATOM 461 CG PHE A 34 4.386 13.911 -2.796 1.00 1.50 C ATOM 462 CD1 PHE A 34 5.440 13.881 -3.692 1.00 1.69 C ATOM 463 CD2 PHE A 34 4.333 14.931 -1.863 1.00 1.95 C ATOM 464 CE1 PHE A 34 6.420 14.849 -3.659 1.00 1.94 C ATOM 465 CE2 PHE A 34 5.311 15.902 -1.828 1.00 2.22 C ATOM 466 CZ PHE A 34 6.353 15.860 -2.726 1.00 2.08 C ATOM 0 H PHE A 34 2.569 14.958 -3.911 1.00 0.86 H new ATOM 0 HA PHE A 34 3.100 12.544 -4.969 1.00 0.88 H new ATOM 0 HB2 PHE A 34 2.645 13.006 -1.991 1.00 1.25 H new ATOM 0 HB3 PHE A 34 3.772 11.882 -2.725 1.00 1.25 H new ATOM 0 HD1 PHE A 34 5.495 13.090 -4.425 1.00 1.69 H new ATOM 0 HD2 PHE A 34 3.518 14.967 -1.155 1.00 1.95 H new ATOM 0 HE1 PHE A 34 7.238 14.815 -4.363 1.00 1.94 H new ATOM 0 HE2 PHE A 34 5.259 16.695 -1.097 1.00 2.22 H new ATOM 0 HZ PHE A 34 7.119 16.621 -2.699 1.00 2.08 H new ATOM 476 N ALA A 35 1.490 10.736 -4.481 1.00 0.44 N ATOM 477 CA ALA A 35 0.533 9.662 -4.335 1.00 0.37 C ATOM 478 C ALA A 35 1.296 8.368 -4.080 1.00 0.30 C ATOM 479 O ALA A 35 2.451 8.232 -4.515 1.00 0.30 O ATOM 480 CB ALA A 35 -0.321 9.554 -5.587 1.00 0.44 C ATOM 0 H ALA A 35 2.322 10.473 -5.009 1.00 0.44 H new ATOM 0 HA ALA A 35 -0.133 9.859 -3.495 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -1.039 8.743 -5.469 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.855 10.491 -5.745 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.318 9.351 -6.447 1.00 0.44 H new ATOM 486 N TRP A 36 0.687 7.443 -3.349 1.00 0.26 N ATOM 487 CA TRP A 36 1.363 6.201 -2.999 1.00 0.21 C ATOM 488 C TRP A 36 1.349 5.223 -4.168 1.00 0.27 C ATOM 489 O TRP A 36 0.289 4.809 -4.634 1.00 0.43 O ATOM 490 CB TRP A 36 0.729 5.519 -1.781 1.00 0.20 C ATOM 491 CG TRP A 36 0.794 6.293 -0.499 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.155 7.127 0.019 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.859 6.263 0.453 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.254 7.607 1.236 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.486 7.094 1.525 1.00 0.17 C ATOM 496 CE3 TRP A 36 3.088 5.612 0.501 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.297 7.284 2.638 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.898 5.802 1.598 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.501 6.631 2.661 1.00 0.14 C ATOM 0 H TRP A 36 -0.264 7.528 -2.990 1.00 0.26 H new ATOM 0 HA TRP A 36 2.390 6.472 -2.753 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.317 5.311 -2.007 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.219 4.557 -1.629 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.091 7.373 -0.460 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.276 8.245 1.830 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.401 4.969 -0.308 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 1.990 7.922 3.453 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.856 5.305 1.642 1.00 0.13 H new ATOM 0 HH2 TRP A 36 4.156 6.755 3.510 1.00 0.14 H new ATOM 510 N TYR A 37 2.534 4.871 -4.643 1.00 0.27 N ATOM 511 CA TYR A 37 2.692 3.829 -5.646 1.00 0.34 C ATOM 512 C TYR A 37 4.047 3.146 -5.473 1.00 0.39 C ATOM 513 O TYR A 37 5.013 3.791 -5.087 1.00 0.78 O ATOM 514 CB TYR A 37 2.506 4.378 -7.069 1.00 0.53 C ATOM 515 CG TYR A 37 3.092 5.749 -7.306 1.00 0.61 C ATOM 516 CD1 TYR A 37 4.326 6.116 -6.778 1.00 0.90 C ATOM 517 CD2 TYR A 37 2.399 6.683 -8.037 1.00 1.42 C ATOM 518 CE1 TYR A 37 4.827 7.378 -6.973 1.00 1.47 C ATOM 519 CE2 TYR A 37 2.897 7.935 -8.245 1.00 2.10 C ATOM 520 CZ TYR A 37 4.218 8.224 -7.767 1.00 2.04 C ATOM 521 OH TYR A 37 4.583 9.544 -7.902 1.00 2.78 O ATOM 0 H TYR A 37 3.411 5.298 -4.345 1.00 0.27 H new ATOM 0 HA TYR A 37 1.910 3.084 -5.499 1.00 0.34 H new ATOM 0 HB2 TYR A 37 2.958 3.680 -7.774 1.00 0.53 H new ATOM 0 HB3 TYR A 37 1.440 4.412 -7.293 1.00 0.53 H new ATOM 0 HD1 TYR A 37 4.897 5.398 -6.207 1.00 0.90 H new ATOM 0 HD2 TYR A 37 1.439 6.420 -8.456 1.00 1.42 H new ATOM 0 HE1 TYR A 37 5.733 7.677 -6.467 1.00 1.47 H new ATOM 0 HE2 TYR A 37 2.314 8.687 -8.755 1.00 2.10 H new ATOM 0 HH TYR A 37 5.302 9.618 -8.563 1.00 2.78 H new ATOM 531 N PHE A 38 4.107 1.840 -5.746 1.00 0.26 N ATOM 532 CA PHE A 38 5.301 1.029 -5.466 1.00 0.25 C ATOM 533 C PHE A 38 6.589 1.694 -5.927 1.00 0.32 C ATOM 534 O PHE A 38 7.362 2.198 -5.119 1.00 0.38 O ATOM 535 CB PHE A 38 5.224 -0.319 -6.159 1.00 0.27 C ATOM 536 CG PHE A 38 4.934 -1.495 -5.262 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.947 -2.094 -4.533 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.641 -1.983 -5.126 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.682 -3.156 -3.690 1.00 0.41 C ATOM 540 CE2 PHE A 38 3.369 -3.043 -4.280 1.00 0.41 C ATOM 541 CZ PHE A 38 4.403 -3.701 -3.652 1.00 0.43 C ATOM 0 H PHE A 38 3.338 1.316 -6.164 1.00 0.26 H new ATOM 0 HA PHE A 38 5.319 0.914 -4.382 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.451 -0.270 -6.926 1.00 0.27 H new ATOM 0 HB3 PHE A 38 6.169 -0.499 -6.671 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.958 -1.726 -4.625 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.838 -1.529 -5.688 1.00 0.33 H new ATOM 0 HE1 PHE A 38 6.464 -3.561 -3.064 1.00 0.41 H new ATOM 0 HE2 PHE A 38 2.348 -3.354 -4.112 1.00 0.41 H new ATOM 0 HZ PHE A 38 4.222 -4.632 -3.135 1.00 0.43 H new ATOM 551 N GLU A 39 6.831 1.662 -7.229 1.00 0.40 N ATOM 552 CA GLU A 39 8.063 2.202 -7.779 1.00 0.51 C ATOM 553 C GLU A 39 7.813 3.529 -8.467 1.00 0.51 C ATOM 554 O GLU A 39 8.749 4.228 -8.851 1.00 0.61 O ATOM 555 CB GLU A 39 8.694 1.214 -8.762 1.00 0.61 C ATOM 556 CG GLU A 39 9.009 -0.135 -8.140 1.00 1.11 C ATOM 557 CD GLU A 39 9.843 -1.013 -9.047 1.00 1.75 C ATOM 558 OE1 GLU A 39 9.255 -1.769 -9.849 1.00 2.19 O ATOM 559 OE2 GLU A 39 11.085 -0.942 -8.978 1.00 2.39 O ATOM 0 H GLU A 39 6.193 1.269 -7.921 1.00 0.40 H new ATOM 0 HA GLU A 39 8.754 2.365 -6.952 1.00 0.51 H new ATOM 0 HB2 GLU A 39 8.018 1.069 -9.604 1.00 0.61 H new ATOM 0 HB3 GLU A 39 9.612 1.645 -9.161 1.00 0.61 H new ATOM 0 HG2 GLU A 39 9.539 0.017 -7.200 1.00 1.11 H new ATOM 0 HG3 GLU A 39 8.077 -0.647 -7.901 1.00 1.11 H new ATOM 566 N GLY A 40 6.547 3.880 -8.618 1.00 0.51 N ATOM 567 CA GLY A 40 6.222 5.147 -9.244 1.00 0.55 C ATOM 568 C GLY A 40 5.462 4.967 -10.531 1.00 0.56 C ATOM 569 O GLY A 40 6.051 4.919 -11.608 1.00 0.73 O ATOM 0 H GLY A 40 5.746 3.321 -8.324 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.629 5.749 -8.555 1.00 0.55 H new ATOM 0 HA3 GLY A 40 7.141 5.699 -9.441 1.00 0.55 H new ATOM 573 N GLY A 41 4.149 4.863 -10.412 1.00 0.55 N ATOM 574 CA GLY A 41 3.321 4.576 -11.562 1.00 0.70 C ATOM 575 C GLY A 41 3.307 3.092 -11.869 1.00 0.61 C ATOM 576 O GLY A 41 2.584 2.631 -12.748 1.00 0.70 O ATOM 0 H GLY A 41 3.640 4.973 -9.535 1.00 0.55 H new ATOM 0 HA2 GLY A 41 2.304 4.922 -11.377 1.00 0.70 H new ATOM 0 HA3 GLY A 41 3.692 5.126 -12.427 1.00 0.70 H new ATOM 580 N THR A 42 4.102 2.349 -11.114 1.00 0.53 N ATOM 581 CA THR A 42 4.240 0.917 -11.299 1.00 0.51 C ATOM 582 C THR A 42 4.025 0.206 -9.981 1.00 0.43 C ATOM 583 O THR A 42 4.495 0.670 -8.937 1.00 0.44 O ATOM 584 CB THR A 42 5.639 0.553 -11.823 1.00 0.67 C ATOM 585 OG1 THR A 42 6.425 1.742 -11.996 1.00 1.13 O ATOM 586 CG2 THR A 42 5.542 -0.205 -13.136 1.00 0.92 C ATOM 0 H THR A 42 4.670 2.725 -10.355 1.00 0.53 H new ATOM 0 HA THR A 42 3.493 0.606 -12.029 1.00 0.51 H new ATOM 0 HB THR A 42 6.124 -0.091 -11.090 1.00 0.67 H new ATOM 0 HG1 THR A 42 7.315 1.501 -12.328 1.00 1.13 H new ATOM 0 HG21 THR A 42 6.543 -0.452 -13.488 1.00 0.92 H new ATOM 0 HG22 THR A 42 4.973 -1.123 -12.985 1.00 0.92 H new ATOM 0 HG23 THR A 42 5.039 0.415 -13.878 1.00 0.92 H new ATOM 594 N LYS A 43 3.298 -0.896 -10.025 1.00 0.49 N ATOM 595 CA LYS A 43 3.041 -1.679 -8.832 1.00 0.46 C ATOM 596 C LYS A 43 3.085 -3.171 -9.179 1.00 0.55 C ATOM 597 O LYS A 43 2.630 -3.578 -10.249 1.00 0.75 O ATOM 598 CB LYS A 43 1.691 -1.265 -8.212 1.00 0.58 C ATOM 599 CG LYS A 43 0.485 -2.082 -8.671 1.00 1.15 C ATOM 600 CD LYS A 43 0.156 -1.829 -10.136 1.00 1.41 C ATOM 601 CE LYS A 43 -1.023 -2.668 -10.593 1.00 1.96 C ATOM 602 NZ LYS A 43 -1.255 -2.545 -12.056 1.00 2.52 N ATOM 0 H LYS A 43 2.875 -1.268 -10.875 1.00 0.49 H new ATOM 0 HA LYS A 43 3.813 -1.489 -8.086 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.769 -1.341 -7.127 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.509 -0.216 -8.446 1.00 0.58 H new ATOM 0 HG2 LYS A 43 0.686 -3.143 -8.521 1.00 1.15 H new ATOM 0 HG3 LYS A 43 -0.379 -1.832 -8.056 1.00 1.15 H new ATOM 0 HD2 LYS A 43 -0.069 -0.773 -10.282 1.00 1.41 H new ATOM 0 HD3 LYS A 43 1.027 -2.058 -10.751 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -0.845 -3.713 -10.340 1.00 1.96 H new ATOM 0 HE3 LYS A 43 -1.919 -2.358 -10.056 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -2.068 -3.133 -12.329 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 -1.450 -1.552 -12.294 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -0.409 -2.865 -12.570 1.00 2.52 H new ATOM 616 N GLU A 44 3.673 -3.974 -8.307 1.00 0.48 N ATOM 617 CA GLU A 44 3.756 -5.412 -8.551 1.00 0.60 C ATOM 618 C GLU A 44 3.524 -6.210 -7.272 1.00 0.49 C ATOM 619 O GLU A 44 3.548 -5.666 -6.166 1.00 0.54 O ATOM 620 CB GLU A 44 5.120 -5.783 -9.137 1.00 0.83 C ATOM 621 CG GLU A 44 6.282 -5.547 -8.184 1.00 0.92 C ATOM 622 CD GLU A 44 7.542 -6.259 -8.622 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.581 -7.505 -8.566 1.00 2.30 O ATOM 624 OE2 GLU A 44 8.508 -5.574 -9.018 1.00 1.80 O ATOM 0 H GLU A 44 4.096 -3.663 -7.433 1.00 0.48 H new ATOM 0 HA GLU A 44 2.972 -5.663 -9.266 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.107 -6.834 -9.426 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.284 -5.204 -10.046 1.00 0.83 H new ATOM 0 HG2 GLU A 44 6.479 -4.477 -8.113 1.00 0.92 H new ATOM 0 HG3 GLU A 44 6.004 -5.887 -7.186 1.00 0.92 H new ATOM 631 N SER A 45 3.281 -7.500 -7.439 1.00 0.61 N ATOM 632 CA SER A 45 3.167 -8.419 -6.321 1.00 0.55 C ATOM 633 C SER A 45 4.322 -9.421 -6.372 1.00 0.80 C ATOM 634 O SER A 45 4.693 -9.888 -7.445 1.00 1.15 O ATOM 635 CB SER A 45 1.812 -9.132 -6.358 1.00 0.83 C ATOM 636 OG SER A 45 1.421 -9.439 -7.687 1.00 1.61 O ATOM 0 H SER A 45 3.158 -7.938 -8.352 1.00 0.61 H new ATOM 0 HA SER A 45 3.225 -7.867 -5.383 1.00 0.55 H new ATOM 0 HB2 SER A 45 1.867 -10.050 -5.773 1.00 0.83 H new ATOM 0 HB3 SER A 45 1.055 -8.501 -5.892 1.00 0.83 H new ATOM 0 HG SER A 45 2.217 -9.509 -8.254 1.00 1.61 H new ATOM 642 N PRO A 46 4.902 -9.765 -5.215 1.00 0.85 N ATOM 643 CA PRO A 46 6.140 -10.550 -5.145 1.00 1.17 C ATOM 644 C PRO A 46 5.925 -12.037 -5.428 1.00 1.12 C ATOM 645 O PRO A 46 6.879 -12.810 -5.514 1.00 1.88 O ATOM 646 CB PRO A 46 6.618 -10.343 -3.696 1.00 1.50 C ATOM 647 CG PRO A 46 5.681 -9.340 -3.095 1.00 1.39 C ATOM 648 CD PRO A 46 4.408 -9.439 -3.880 1.00 0.92 C ATOM 0 HA PRO A 46 6.858 -10.227 -5.899 1.00 1.17 H new ATOM 0 HB2 PRO A 46 6.597 -11.280 -3.140 1.00 1.50 H new ATOM 0 HB3 PRO A 46 7.646 -9.981 -3.671 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.506 -9.553 -2.040 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.097 -8.334 -3.152 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.746 -10.212 -3.489 1.00 0.92 H new ATOM 0 HD3 PRO A 46 3.848 -8.504 -3.869 1.00 0.92 H new ATOM 656 N ASN A 47 4.670 -12.427 -5.578 1.00 1.01 N ATOM 657 CA ASN A 47 4.317 -13.822 -5.790 1.00 1.08 C ATOM 658 C ASN A 47 3.034 -13.934 -6.600 1.00 0.97 C ATOM 659 O ASN A 47 1.999 -14.378 -6.106 1.00 1.25 O ATOM 660 CB ASN A 47 4.190 -14.572 -4.452 1.00 1.23 C ATOM 661 CG ASN A 47 3.289 -13.892 -3.422 1.00 1.53 C ATOM 662 OD1 ASN A 47 3.111 -12.671 -3.415 1.00 2.43 O ATOM 663 ND2 ASN A 47 2.735 -14.686 -2.516 1.00 1.23 N ATOM 0 H ASN A 47 3.872 -11.792 -5.557 1.00 1.01 H new ATOM 0 HA ASN A 47 5.121 -14.291 -6.358 1.00 1.08 H new ATOM 0 HB2 ASN A 47 3.805 -15.573 -4.647 1.00 1.23 H new ATOM 0 HB3 ASN A 47 5.185 -14.691 -4.022 1.00 1.23 H new ATOM 0 HD21 ASN A 47 2.142 -14.291 -1.786 1.00 1.23 H new ATOM 0 HD22 ASN A 47 2.902 -15.692 -2.549 1.00 1.23 H new ATOM 670 N GLU A 48 3.122 -13.530 -7.854 1.00 0.86 N ATOM 671 CA GLU A 48 1.973 -13.515 -8.740 1.00 0.93 C ATOM 672 C GLU A 48 2.081 -14.598 -9.819 1.00 0.93 C ATOM 673 O GLU A 48 2.622 -15.677 -9.564 1.00 1.53 O ATOM 674 CB GLU A 48 1.832 -12.119 -9.349 1.00 1.24 C ATOM 675 CG GLU A 48 3.078 -11.608 -10.058 1.00 1.89 C ATOM 676 CD GLU A 48 2.889 -10.200 -10.590 1.00 2.65 C ATOM 677 OE1 GLU A 48 3.061 -9.235 -9.815 1.00 3.26 O ATOM 678 OE2 GLU A 48 2.547 -10.052 -11.782 1.00 2.99 O ATOM 0 H GLU A 48 3.987 -13.205 -8.285 1.00 0.86 H new ATOM 0 HA GLU A 48 1.075 -13.743 -8.167 1.00 0.93 H new ATOM 0 HB2 GLU A 48 1.004 -12.128 -10.058 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.566 -11.417 -8.558 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.921 -11.625 -9.368 1.00 1.89 H new ATOM 0 HG3 GLU A 48 3.327 -12.277 -10.882 1.00 1.89 H new ATOM 685 N SER A 49 1.538 -14.307 -11.005 1.00 0.94 N ATOM 686 CA SER A 49 1.495 -15.254 -12.125 1.00 1.13 C ATOM 687 C SER A 49 0.494 -16.378 -11.851 1.00 1.05 C ATOM 688 O SER A 49 0.710 -17.536 -12.219 1.00 1.48 O ATOM 689 CB SER A 49 2.885 -15.816 -12.422 1.00 1.39 C ATOM 690 OG SER A 49 3.818 -14.770 -12.650 1.00 2.06 O ATOM 0 H SER A 49 1.114 -13.404 -11.217 1.00 0.94 H new ATOM 0 HA SER A 49 1.159 -14.713 -13.010 1.00 1.13 H new ATOM 0 HB2 SER A 49 3.219 -16.431 -11.586 1.00 1.39 H new ATOM 0 HB3 SER A 49 2.840 -16.465 -13.297 1.00 1.39 H new ATOM 0 HG SER A 49 4.700 -15.154 -12.836 1.00 2.06 H new ATOM 696 N MET A 50 -0.598 -15.998 -11.193 1.00 0.77 N ATOM 697 CA MET A 50 -1.722 -16.890 -10.885 1.00 0.69 C ATOM 698 C MET A 50 -2.716 -16.113 -10.044 1.00 0.60 C ATOM 699 O MET A 50 -3.933 -16.241 -10.176 1.00 0.66 O ATOM 700 CB MET A 50 -1.283 -18.157 -10.147 1.00 0.68 C ATOM 701 CG MET A 50 -0.682 -17.923 -8.767 1.00 0.66 C ATOM 702 SD MET A 50 -0.171 -19.451 -7.958 1.00 1.25 S ATOM 703 CE MET A 50 0.320 -18.822 -6.357 1.00 1.10 C ATOM 0 H MET A 50 -0.733 -15.046 -10.851 1.00 0.77 H new ATOM 0 HA MET A 50 -2.172 -17.221 -11.821 1.00 0.69 H new ATOM 0 HB2 MET A 50 -2.145 -18.816 -10.044 1.00 0.68 H new ATOM 0 HB3 MET A 50 -0.551 -18.682 -10.761 1.00 0.68 H new ATOM 0 HG2 MET A 50 0.179 -17.260 -8.858 1.00 0.66 H new ATOM 0 HG3 MET A 50 -1.412 -17.412 -8.140 1.00 0.66 H new ATOM 0 HE1 MET A 50 0.477 -19.655 -5.671 1.00 1.10 H new ATOM 0 HE2 MET A 50 1.246 -18.255 -6.457 1.00 1.10 H new ATOM 0 HE3 MET A 50 -0.463 -18.172 -5.966 1.00 1.10 H new ATOM 713 N PHE A 51 -2.144 -15.299 -9.178 1.00 0.52 N ATOM 714 CA PHE A 51 -2.863 -14.357 -8.357 1.00 0.44 C ATOM 715 C PHE A 51 -2.160 -13.018 -8.528 1.00 0.51 C ATOM 716 O PHE A 51 -1.033 -13.000 -9.012 1.00 0.74 O ATOM 717 CB PHE A 51 -2.876 -14.848 -6.907 1.00 0.37 C ATOM 718 CG PHE A 51 -4.037 -15.762 -6.598 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.078 -17.052 -7.100 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.095 -15.321 -5.812 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.147 -17.884 -6.828 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.163 -16.151 -5.534 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.189 -17.434 -6.044 1.00 0.61 C ATOM 0 H PHE A 51 -1.136 -15.278 -9.025 1.00 0.52 H new ATOM 0 HA PHE A 51 -3.908 -14.253 -8.648 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -1.944 -15.373 -6.700 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -2.912 -13.987 -6.239 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -3.264 -17.412 -7.712 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -5.082 -14.317 -5.414 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -5.167 -18.887 -7.229 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -6.977 -15.797 -4.919 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.024 -18.084 -5.829 1.00 0.61 H new ATOM 733 N THR A 52 -2.783 -11.905 -8.173 1.00 0.47 N ATOM 734 CA THR A 52 -2.258 -10.621 -8.618 1.00 0.61 C ATOM 735 C THR A 52 -2.601 -9.475 -7.667 1.00 0.49 C ATOM 736 O THR A 52 -3.448 -9.607 -6.781 1.00 0.75 O ATOM 737 CB THR A 52 -2.786 -10.302 -10.036 1.00 1.10 C ATOM 738 OG1 THR A 52 -2.041 -9.227 -10.623 1.00 1.41 O ATOM 739 CG2 THR A 52 -4.266 -9.940 -10.007 1.00 1.46 C ATOM 0 H THR A 52 -3.624 -11.861 -7.598 1.00 0.47 H new ATOM 0 HA THR A 52 -1.172 -10.709 -8.631 1.00 0.61 H new ATOM 0 HB THR A 52 -2.659 -11.200 -10.641 1.00 1.10 H new ATOM 0 HG1 THR A 52 -2.388 -9.040 -11.520 1.00 1.41 H new ATOM 0 HG21 THR A 52 -4.607 -9.721 -11.019 1.00 1.46 H new ATOM 0 HG22 THR A 52 -4.837 -10.776 -9.604 1.00 1.46 H new ATOM 0 HG23 THR A 52 -4.414 -9.063 -9.377 1.00 1.46 H new ATOM 747 N VAL A 53 -1.917 -8.355 -7.864 1.00 0.46 N ATOM 748 CA VAL A 53 -2.122 -7.156 -7.072 1.00 0.44 C ATOM 749 C VAL A 53 -2.940 -6.120 -7.848 1.00 0.49 C ATOM 750 O VAL A 53 -2.686 -5.844 -9.023 1.00 0.76 O ATOM 751 CB VAL A 53 -0.772 -6.519 -6.658 1.00 0.67 C ATOM 752 CG1 VAL A 53 0.097 -6.265 -7.878 1.00 1.00 C ATOM 753 CG2 VAL A 53 -0.986 -5.223 -5.889 1.00 1.31 C ATOM 0 H VAL A 53 -1.201 -8.256 -8.583 1.00 0.46 H new ATOM 0 HA VAL A 53 -2.668 -7.454 -6.177 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.261 -7.224 -6.002 1.00 0.67 H new ATOM 0 HG11 VAL A 53 1.041 -5.817 -7.566 1.00 1.00 H new ATOM 0 HG12 VAL A 53 0.294 -7.208 -8.387 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -0.419 -5.587 -8.557 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.020 -4.800 -5.612 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -1.527 -4.513 -6.515 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -1.565 -5.426 -4.988 1.00 1.31 H new ATOM 763 N GLU A 54 -3.927 -5.574 -7.174 1.00 0.45 N ATOM 764 CA GLU A 54 -4.729 -4.487 -7.690 1.00 0.52 C ATOM 765 C GLU A 54 -4.301 -3.200 -7.012 1.00 0.46 C ATOM 766 O GLU A 54 -3.793 -3.215 -5.892 1.00 0.59 O ATOM 767 CB GLU A 54 -6.206 -4.745 -7.395 1.00 0.71 C ATOM 768 CG GLU A 54 -7.152 -3.687 -7.937 1.00 1.35 C ATOM 769 CD GLU A 54 -8.533 -3.790 -7.327 1.00 1.86 C ATOM 770 OE1 GLU A 54 -8.706 -3.386 -6.158 1.00 2.18 O ATOM 771 OE2 GLU A 54 -9.455 -4.278 -8.014 1.00 2.45 O ATOM 0 H GLU A 54 -4.199 -5.877 -6.239 1.00 0.45 H new ATOM 0 HA GLU A 54 -4.589 -4.409 -8.768 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -6.484 -5.712 -7.815 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -6.341 -4.816 -6.316 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -6.741 -2.697 -7.737 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -7.226 -3.788 -9.020 1.00 1.35 H new ATOM 778 N ASN A 55 -4.510 -2.101 -7.683 1.00 0.49 N ATOM 779 CA ASN A 55 -4.210 -0.799 -7.117 1.00 0.46 C ATOM 780 C ASN A 55 -5.370 0.149 -7.355 1.00 0.46 C ATOM 781 O ASN A 55 -5.786 0.363 -8.492 1.00 0.65 O ATOM 782 CB ASN A 55 -2.919 -0.208 -7.697 1.00 0.62 C ATOM 783 CG ASN A 55 -2.946 -0.037 -9.212 1.00 1.21 C ATOM 784 OD1 ASN A 55 -3.560 -0.821 -9.935 1.00 1.84 O ATOM 785 ND2 ASN A 55 -2.272 0.990 -9.701 1.00 1.93 N ATOM 0 H ASN A 55 -4.889 -2.073 -8.629 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.060 -0.930 -6.045 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -2.735 0.762 -7.235 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.083 -0.853 -7.429 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -2.250 1.153 -10.708 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -1.774 1.620 -9.072 1.00 1.93 H new ATOM 792 N LYS A 56 -5.913 0.704 -6.285 1.00 0.42 N ATOM 793 CA LYS A 56 -6.983 1.672 -6.425 1.00 0.43 C ATOM 794 C LYS A 56 -6.767 2.834 -5.461 1.00 0.46 C ATOM 795 O LYS A 56 -6.788 2.672 -4.236 1.00 0.53 O ATOM 796 CB LYS A 56 -8.374 1.014 -6.270 1.00 0.55 C ATOM 797 CG LYS A 56 -8.956 0.948 -4.864 1.00 1.03 C ATOM 798 CD LYS A 56 -8.593 -0.330 -4.137 1.00 0.62 C ATOM 799 CE LYS A 56 -9.635 -0.649 -3.090 1.00 1.26 C ATOM 800 NZ LYS A 56 -10.941 -1.038 -3.688 1.00 1.42 N ATOM 0 H LYS A 56 -5.635 0.504 -5.324 1.00 0.42 H new ATOM 0 HA LYS A 56 -6.959 2.076 -7.437 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.077 1.556 -6.902 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.313 -0.002 -6.659 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -8.600 1.802 -4.288 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -10.041 1.032 -4.921 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -8.518 -1.153 -4.848 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.615 -0.224 -3.667 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -9.273 -1.459 -2.456 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.777 0.219 -2.447 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.467 -1.632 -3.016 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -11.494 -0.183 -3.901 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -10.776 -1.571 -4.566 1.00 1.42 H new ATOM 814 N TYR A 57 -6.503 3.999 -6.029 1.00 0.48 N ATOM 815 CA TYR A 57 -6.205 5.180 -5.240 1.00 0.56 C ATOM 816 C TYR A 57 -7.375 6.146 -5.267 1.00 0.57 C ATOM 817 O TYR A 57 -7.826 6.555 -6.338 1.00 0.71 O ATOM 818 CB TYR A 57 -4.977 5.901 -5.775 1.00 0.69 C ATOM 819 CG TYR A 57 -3.899 5.017 -6.365 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.162 4.174 -5.543 1.00 0.61 C ATOM 821 CD2 TYR A 57 -3.640 4.995 -7.730 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.192 3.340 -6.061 1.00 0.98 C ATOM 823 CE2 TYR A 57 -2.674 4.156 -8.256 1.00 1.19 C ATOM 824 CZ TYR A 57 -1.889 3.454 -7.482 1.00 1.19 C ATOM 825 OH TYR A 57 -0.995 2.487 -7.936 1.00 1.66 O ATOM 0 H TYR A 57 -6.489 4.151 -7.038 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.016 4.848 -4.219 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.299 6.609 -6.539 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.539 6.484 -4.965 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.351 4.171 -4.480 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -4.200 5.642 -8.389 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -1.675 2.628 -5.435 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -2.566 4.080 -9.328 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.533 2.084 -7.172 1.00 1.66 H new ATOM 835 N PHE A 58 -7.874 6.507 -4.100 1.00 0.52 N ATOM 836 CA PHE A 58 -8.924 7.499 -4.008 1.00 0.60 C ATOM 837 C PHE A 58 -8.464 8.690 -3.179 1.00 0.73 C ATOM 838 O PHE A 58 -8.427 8.637 -1.947 1.00 0.80 O ATOM 839 CB PHE A 58 -10.187 6.886 -3.404 1.00 0.67 C ATOM 840 CG PHE A 58 -10.829 5.853 -4.289 1.00 0.96 C ATOM 841 CD1 PHE A 58 -11.750 6.221 -5.257 1.00 1.19 C ATOM 842 CD2 PHE A 58 -10.510 4.512 -4.148 1.00 1.56 C ATOM 843 CE1 PHE A 58 -12.337 5.271 -6.070 1.00 1.65 C ATOM 844 CE2 PHE A 58 -11.097 3.557 -4.960 1.00 2.14 C ATOM 845 CZ PHE A 58 -12.025 3.950 -5.928 1.00 2.08 C ATOM 0 H PHE A 58 -7.568 6.127 -3.204 1.00 0.52 H new ATOM 0 HA PHE A 58 -9.155 7.848 -5.014 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -9.939 6.430 -2.446 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.907 7.679 -3.202 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -12.012 7.262 -5.377 1.00 1.19 H new ATOM 0 HD2 PHE A 58 -9.796 4.209 -3.397 1.00 1.56 H new ATOM 0 HE1 PHE A 58 -13.048 5.576 -6.824 1.00 1.65 H new ATOM 0 HE2 PHE A 58 -10.839 2.514 -4.846 1.00 2.14 H new ATOM 0 HZ PHE A 58 -12.494 3.211 -6.561 1.00 2.08 H new ATOM 855 N PRO A 59 -8.082 9.776 -3.860 1.00 0.90 N ATOM 856 CA PRO A 59 -7.738 11.045 -3.242 1.00 1.17 C ATOM 857 C PRO A 59 -8.955 11.957 -3.115 1.00 1.32 C ATOM 858 O PRO A 59 -9.720 12.139 -4.064 1.00 1.92 O ATOM 859 CB PRO A 59 -6.719 11.652 -4.224 1.00 1.46 C ATOM 860 CG PRO A 59 -6.664 10.719 -5.395 1.00 1.30 C ATOM 861 CD PRO A 59 -7.884 9.847 -5.303 1.00 1.01 C ATOM 0 HA PRO A 59 -7.353 10.923 -2.230 1.00 1.17 H new ATOM 0 HB2 PRO A 59 -7.025 12.651 -4.535 1.00 1.46 H new ATOM 0 HB3 PRO A 59 -5.739 11.750 -3.757 1.00 1.46 H new ATOM 0 HG2 PRO A 59 -6.654 11.274 -6.333 1.00 1.30 H new ATOM 0 HG3 PRO A 59 -5.755 10.118 -5.370 1.00 1.30 H new ATOM 0 HD2 PRO A 59 -8.741 10.286 -5.814 1.00 1.01 H new ATOM 0 HD3 PRO A 59 -7.720 8.864 -5.743 1.00 1.01 H new ATOM 869 N PRO A 60 -9.145 12.532 -1.918 1.00 1.14 N ATOM 870 CA PRO A 60 -10.263 13.442 -1.626 1.00 1.27 C ATOM 871 C PRO A 60 -10.199 14.725 -2.441 1.00 1.97 C ATOM 872 O PRO A 60 -11.115 15.049 -3.196 1.00 2.64 O ATOM 873 CB PRO A 60 -10.077 13.765 -0.145 1.00 1.41 C ATOM 874 CG PRO A 60 -9.207 12.681 0.384 1.00 1.85 C ATOM 875 CD PRO A 60 -8.290 12.332 -0.740 1.00 1.56 C ATOM 0 HA PRO A 60 -11.224 12.989 -1.871 1.00 1.27 H new ATOM 0 HB2 PRO A 60 -9.614 14.743 -0.010 1.00 1.41 H new ATOM 0 HB3 PRO A 60 -11.034 13.791 0.376 1.00 1.41 H new ATOM 0 HG2 PRO A 60 -8.649 13.016 1.258 1.00 1.85 H new ATOM 0 HG3 PRO A 60 -9.797 11.818 0.693 1.00 1.85 H new ATOM 0 HD2 PRO A 60 -7.411 12.976 -0.762 1.00 1.56 H new ATOM 0 HD3 PRO A 60 -7.931 11.305 -0.668 1.00 1.56 H new ATOM 883 N ASP A 61 -9.099 15.446 -2.286 1.00 2.53 N ATOM 884 CA ASP A 61 -8.933 16.751 -2.920 1.00 3.55 C ATOM 885 C ASP A 61 -7.476 16.986 -3.267 1.00 4.33 C ATOM 886 O ASP A 61 -7.150 17.433 -4.363 1.00 4.81 O ATOM 887 CB ASP A 61 -9.379 17.875 -1.984 1.00 4.18 C ATOM 888 CG ASP A 61 -10.852 17.818 -1.631 1.00 5.17 C ATOM 889 OD1 ASP A 61 -11.201 17.138 -0.652 1.00 5.80 O ATOM 890 OD2 ASP A 61 -11.664 18.431 -2.353 1.00 5.51 O ATOM 0 H ASP A 61 -8.302 15.149 -1.723 1.00 2.53 H new ATOM 0 HA ASP A 61 -9.546 16.755 -3.821 1.00 3.55 H new ATOM 0 HB2 ASP A 61 -8.792 17.828 -1.067 1.00 4.18 H new ATOM 0 HB3 ASP A 61 -9.163 18.835 -2.453 1.00 4.18 H new ATOM 895 N SER A 62 -6.622 16.714 -2.277 1.00 4.84 N ATOM 896 CA SER A 62 -5.173 16.863 -2.378 1.00 5.85 C ATOM 897 C SER A 62 -4.759 18.308 -2.122 1.00 6.45 C ATOM 898 O SER A 62 -3.612 18.574 -1.762 1.00 6.95 O ATOM 899 CB SER A 62 -4.622 16.350 -3.719 1.00 6.81 C ATOM 900 OG SER A 62 -3.204 16.325 -3.726 1.00 7.43 O ATOM 0 H SER A 62 -6.928 16.377 -1.364 1.00 4.84 H new ATOM 0 HA SER A 62 -4.730 16.238 -1.603 1.00 5.85 H new ATOM 0 HB2 SER A 62 -5.005 15.348 -3.911 1.00 6.81 H new ATOM 0 HB3 SER A 62 -4.979 16.988 -4.528 1.00 6.81 H new ATOM 0 HG SER A 62 -2.863 17.179 -4.064 1.00 7.43 H new ATOM 906 N LYS A 63 -5.694 19.241 -2.303 1.00 6.69 N ATOM 907 CA LYS A 63 -5.512 20.593 -1.796 1.00 7.56 C ATOM 908 C LYS A 63 -5.715 20.557 -0.287 1.00 7.34 C ATOM 909 O LYS A 63 -5.297 21.448 0.451 1.00 8.03 O ATOM 910 CB LYS A 63 -6.478 21.587 -2.479 1.00 8.44 C ATOM 911 CG LYS A 63 -7.977 21.307 -2.294 1.00 8.39 C ATOM 912 CD LYS A 63 -8.489 21.771 -0.934 1.00 7.90 C ATOM 913 CE LYS A 63 -9.968 22.148 -0.966 1.00 8.47 C ATOM 914 NZ LYS A 63 -10.851 20.998 -1.295 1.00 8.71 N ATOM 0 H LYS A 63 -6.575 19.084 -2.792 1.00 6.69 H new ATOM 0 HA LYS A 63 -4.506 20.945 -2.024 1.00 7.56 H new ATOM 0 HB2 LYS A 63 -6.266 22.587 -2.100 1.00 8.44 H new ATOM 0 HB3 LYS A 63 -6.260 21.598 -3.547 1.00 8.44 H new ATOM 0 HG2 LYS A 63 -8.538 21.810 -3.082 1.00 8.39 H new ATOM 0 HG3 LYS A 63 -8.161 20.238 -2.404 1.00 8.39 H new ATOM 0 HD2 LYS A 63 -8.335 20.979 -0.201 1.00 7.90 H new ATOM 0 HD3 LYS A 63 -7.905 22.630 -0.603 1.00 7.90 H new ATOM 0 HE2 LYS A 63 -10.255 22.554 0.004 1.00 8.47 H new ATOM 0 HE3 LYS A 63 -10.120 22.939 -1.701 1.00 8.47 H new ATOM 0 HZ1 LYS A 63 -11.839 21.320 -1.336 1.00 8.71 H new ATOM 0 HZ2 LYS A 63 -10.577 20.603 -2.217 1.00 8.71 H new ATOM 0 HZ3 LYS A 63 -10.755 20.266 -0.562 1.00 8.71 H new ATOM 928 N LEU A 64 -6.364 19.483 0.140 1.00 6.59 N ATOM 929 CA LEU A 64 -6.622 19.209 1.537 1.00 6.64 C ATOM 930 C LEU A 64 -7.041 17.750 1.661 1.00 5.83 C ATOM 931 O LEU A 64 -6.756 16.931 0.780 1.00 6.33 O ATOM 932 CB LEU A 64 -7.742 20.109 2.068 1.00 6.54 C ATOM 933 CG LEU A 64 -7.790 20.286 3.588 1.00 7.43 C ATOM 934 CD1 LEU A 64 -6.529 20.970 4.092 1.00 7.88 C ATOM 935 CD2 LEU A 64 -9.025 21.076 3.988 1.00 8.10 C ATOM 0 H LEU A 64 -6.730 18.769 -0.489 1.00 6.59 H new ATOM 0 HA LEU A 64 -5.723 19.406 2.121 1.00 6.64 H new ATOM 0 HB2 LEU A 64 -7.640 21.093 1.610 1.00 6.54 H new ATOM 0 HB3 LEU A 64 -8.697 19.701 1.738 1.00 6.54 H new ATOM 0 HG LEU A 64 -7.845 19.299 4.048 1.00 7.43 H new ATOM 0 HD11 LEU A 64 -6.585 21.085 5.174 1.00 7.88 H new ATOM 0 HD12 LEU A 64 -5.660 20.364 3.836 1.00 7.88 H new ATOM 0 HD13 LEU A 64 -6.437 21.952 3.627 1.00 7.88 H new ATOM 0 HD21 LEU A 64 -9.046 21.194 5.071 1.00 8.10 H new ATOM 0 HD22 LEU A 64 -8.997 22.058 3.516 1.00 8.10 H new ATOM 0 HD23 LEU A 64 -9.919 20.543 3.664 1.00 8.10 H new ATOM 947 N LEU A 65 -7.749 17.442 2.723 1.00 4.74 N ATOM 948 CA LEU A 65 -8.226 16.105 2.969 1.00 4.07 C ATOM 949 C LEU A 65 -9.735 16.055 2.788 1.00 3.22 C ATOM 950 O LEU A 65 -10.405 17.087 2.748 1.00 3.56 O ATOM 951 CB LEU A 65 -7.845 15.648 4.380 1.00 4.05 C ATOM 952 CG LEU A 65 -6.929 14.421 4.450 1.00 4.01 C ATOM 953 CD1 LEU A 65 -6.492 14.163 5.884 1.00 4.35 C ATOM 954 CD2 LEU A 65 -7.629 13.194 3.880 1.00 4.56 C ATOM 0 H LEU A 65 -8.010 18.116 3.442 1.00 4.74 H new ATOM 0 HA LEU A 65 -7.759 15.429 2.253 1.00 4.07 H new ATOM 0 HB2 LEU A 65 -7.354 16.476 4.891 1.00 4.05 H new ATOM 0 HB3 LEU A 65 -8.759 15.429 4.932 1.00 4.05 H new ATOM 0 HG LEU A 65 -6.043 14.622 3.848 1.00 4.01 H new ATOM 0 HD11 LEU A 65 -5.842 13.288 5.915 1.00 4.35 H new ATOM 0 HD12 LEU A 65 -5.950 15.031 6.261 1.00 4.35 H new ATOM 0 HD13 LEU A 65 -7.370 13.985 6.505 1.00 4.35 H new ATOM 0 HD21 LEU A 65 -6.962 12.334 3.939 1.00 4.56 H new ATOM 0 HD22 LEU A 65 -8.533 12.992 4.454 1.00 4.56 H new ATOM 0 HD23 LEU A 65 -7.894 13.377 2.839 1.00 4.56 H new ATOM 966 N GLY A 66 -10.243 14.848 2.675 1.00 2.53 N ATOM 967 CA GLY A 66 -11.659 14.627 2.461 1.00 2.28 C ATOM 968 C GLY A 66 -12.166 13.501 3.324 1.00 2.48 C ATOM 969 O GLY A 66 -13.130 12.823 2.969 1.00 3.02 O ATOM 0 H GLY A 66 -9.689 13.993 2.728 1.00 2.53 H new ATOM 0 HA2 GLY A 66 -12.211 15.539 2.686 1.00 2.28 H new ATOM 0 HA3 GLY A 66 -11.840 14.395 1.411 1.00 2.28 H new ATOM 973 N ALA A 67 -11.495 13.313 4.464 1.00 2.66 N ATOM 974 CA ALA A 67 -11.711 12.170 5.353 1.00 3.24 C ATOM 975 C ALA A 67 -11.265 10.873 4.692 1.00 3.13 C ATOM 976 O ALA A 67 -10.285 10.256 5.105 1.00 3.73 O ATOM 977 CB ALA A 67 -13.166 12.060 5.792 1.00 4.02 C ATOM 0 H ALA A 67 -10.779 13.958 4.798 1.00 2.66 H new ATOM 0 HA ALA A 67 -11.104 12.339 6.242 1.00 3.24 H new ATOM 0 HB1 ALA A 67 -13.283 11.199 6.450 1.00 4.02 H new ATOM 0 HB2 ALA A 67 -13.455 12.966 6.325 1.00 4.02 H new ATOM 0 HB3 ALA A 67 -13.802 11.936 4.916 1.00 4.02 H new ATOM 983 N GLY A 68 -11.966 10.491 3.634 1.00 2.74 N ATOM 984 CA GLY A 68 -11.716 9.224 2.991 1.00 2.84 C ATOM 985 C GLY A 68 -10.601 9.281 1.966 1.00 2.21 C ATOM 986 O GLY A 68 -10.834 9.034 0.782 1.00 2.79 O ATOM 0 H GLY A 68 -12.710 11.044 3.209 1.00 2.74 H new ATOM 0 HA2 GLY A 68 -11.465 8.483 3.750 1.00 2.84 H new ATOM 0 HA3 GLY A 68 -12.630 8.885 2.504 1.00 2.84 H new ATOM 990 N GLY A 69 -9.398 9.631 2.404 1.00 1.49 N ATOM 991 CA GLY A 69 -8.244 9.464 1.550 1.00 1.05 C ATOM 992 C GLY A 69 -7.825 8.016 1.575 1.00 0.84 C ATOM 993 O GLY A 69 -7.582 7.467 2.646 1.00 1.12 O ATOM 0 H GLY A 69 -9.204 10.023 3.325 1.00 1.49 H new ATOM 0 HA2 GLY A 69 -8.481 9.770 0.531 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -7.427 10.099 1.892 1.00 1.05 H new ATOM 997 N THR A 70 -7.773 7.372 0.423 1.00 0.52 N ATOM 998 CA THR A 70 -7.619 5.930 0.398 1.00 0.46 C ATOM 999 C THR A 70 -6.977 5.412 -0.882 1.00 0.39 C ATOM 1000 O THR A 70 -7.656 5.116 -1.860 1.00 0.44 O ATOM 1001 CB THR A 70 -8.984 5.257 0.593 1.00 0.58 C ATOM 1002 OG1 THR A 70 -10.026 6.135 0.148 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.193 4.892 2.059 1.00 0.59 C ATOM 0 H THR A 70 -7.834 7.816 -0.493 1.00 0.52 H new ATOM 0 HA THR A 70 -6.944 5.677 1.216 1.00 0.46 H new ATOM 0 HB THR A 70 -9.013 4.341 0.002 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.895 5.701 0.273 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.166 4.416 2.180 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.410 4.204 2.378 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.153 5.795 2.668 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.667 5.272 -0.851 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.930 4.670 -1.950 1.00 0.34 C ATOM 1013 C GLU A 71 -4.522 3.256 -1.550 1.00 0.31 C ATOM 1014 O GLU A 71 -3.646 3.074 -0.709 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.693 5.503 -2.290 1.00 0.36 C ATOM 1016 CG GLU A 71 -4.013 6.949 -2.634 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.813 7.699 -3.172 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.024 8.228 -2.360 1.00 0.53 O ATOM 1019 OE2 GLU A 71 -2.662 7.763 -4.411 1.00 0.81 O ATOM 0 H GLU A 71 -5.084 5.570 -0.069 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.564 4.635 -2.836 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -3.007 5.482 -1.444 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.175 5.043 -3.132 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.814 6.974 -3.373 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.385 7.457 -1.744 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.173 2.257 -2.122 1.00 0.31 N ATOM 1027 CA HIS A 72 -4.962 0.885 -1.681 1.00 0.32 C ATOM 1028 C HIS A 72 -4.165 0.085 -2.691 1.00 0.29 C ATOM 1029 O HIS A 72 -4.220 0.335 -3.894 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.266 0.123 -1.488 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.323 0.758 -0.645 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.092 0.024 0.222 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.835 2.011 -0.627 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.040 0.783 0.715 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.909 1.997 0.225 1.00 0.53 N ATOM 0 H HIS A 72 -5.844 2.365 -2.883 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.429 0.982 -0.735 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.692 -0.067 -2.473 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -6.026 -0.847 -1.051 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -7.948 -0.960 0.448 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.466 2.862 -1.180 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -9.803 0.464 1.409 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.473 -0.906 -2.172 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.826 -1.926 -2.965 1.00 0.25 C ATOM 1046 C PHE A 73 -3.339 -3.283 -2.520 1.00 0.25 C ATOM 1047 O PHE A 73 -3.028 -3.753 -1.434 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.315 -1.840 -2.791 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.711 -0.672 -3.510 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -0.920 0.617 -3.055 1.00 0.75 C ATOM 1051 CD2 PHE A 73 0.064 -0.863 -4.642 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.366 1.695 -3.714 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.619 0.209 -5.307 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.413 1.488 -4.838 1.00 1.13 C ATOM 0 H PHE A 73 -3.342 -1.027 -1.168 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.053 -1.780 -4.021 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.080 -1.768 -1.729 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -0.859 -2.760 -3.156 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.523 0.782 -2.174 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.236 -1.864 -5.008 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.540 2.698 -3.353 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.214 0.047 -6.194 1.00 0.88 H new ATOM 0 HZ PHE A 73 0.860 2.329 -5.348 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.140 -3.900 -3.353 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.813 -5.131 -2.987 1.00 0.30 C ATOM 1066 C HIS A 74 -4.139 -6.311 -3.638 1.00 0.31 C ATOM 1067 O HIS A 74 -4.287 -6.519 -4.830 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.272 -5.097 -3.444 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.188 -4.305 -2.569 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.554 -4.438 -2.619 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -6.941 -3.376 -1.614 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.105 -3.632 -1.739 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.151 -2.977 -1.105 1.00 0.45 N ATOM 0 H HIS A 74 -4.346 -3.571 -4.296 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.766 -5.228 -1.902 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.312 -4.686 -4.453 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.643 -6.120 -3.502 1.00 0.38 H new ATOM 0 HD1 HIS A 74 -9.062 -5.065 -3.243 1.00 0.42 H new ATOM 0 HD2 HIS A 74 -5.970 -3.016 -1.309 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.165 -3.524 -1.564 1.00 0.47 H new ATOM 1082 N VAL A 75 -3.432 -7.110 -2.874 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.796 -8.258 -3.458 1.00 0.26 C ATOM 1084 C VAL A 75 -3.627 -9.491 -3.126 1.00 0.25 C ATOM 1085 O VAL A 75 -3.820 -9.880 -1.971 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.307 -8.423 -3.025 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.570 -7.098 -3.109 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -1.181 -9.000 -1.638 1.00 0.87 C ATOM 0 H VAL A 75 -3.287 -6.989 -1.872 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.756 -8.119 -4.538 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.850 -9.128 -3.720 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.467 -7.238 -2.802 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -0.598 -6.730 -4.135 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.048 -6.373 -2.450 1.00 0.71 H new ATOM 0 HG21 VAL A 75 -0.127 -9.097 -1.379 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.671 -8.339 -0.923 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.654 -9.982 -1.608 1.00 0.87 H new ATOM 1098 N THR A 76 -4.180 -10.056 -4.157 1.00 0.28 N ATOM 1099 CA THR A 76 -4.995 -11.226 -4.016 1.00 0.32 C ATOM 1100 C THR A 76 -4.147 -12.394 -4.422 1.00 0.34 C ATOM 1101 O THR A 76 -3.897 -12.591 -5.604 1.00 0.39 O ATOM 1102 CB THR A 76 -6.241 -11.144 -4.916 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.878 -9.871 -4.744 1.00 0.46 O ATOM 1104 CG2 THR A 76 -7.223 -12.257 -4.587 1.00 0.45 C ATOM 0 H THR A 76 -4.080 -9.721 -5.115 1.00 0.28 H new ATOM 0 HA THR A 76 -5.345 -11.324 -2.988 1.00 0.32 H new ATOM 0 HB THR A 76 -5.925 -11.259 -5.953 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.670 -9.821 -5.319 1.00 0.46 H new ATOM 0 HG21 THR A 76 -8.095 -12.177 -5.237 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.743 -13.223 -4.741 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.537 -12.170 -3.547 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.672 -13.126 -3.432 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.725 -14.196 -3.663 1.00 0.41 C ATOM 1114 C VAL A 77 -2.812 -15.250 -2.574 1.00 0.45 C ATOM 1115 O VAL A 77 -3.127 -14.945 -1.425 1.00 0.60 O ATOM 1116 CB VAL A 77 -1.277 -13.644 -3.733 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.968 -12.771 -2.522 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.259 -14.770 -3.842 1.00 1.04 C ATOM 0 H VAL A 77 -3.930 -12.996 -2.454 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.980 -14.656 -4.618 1.00 0.41 H new ATOM 0 HB VAL A 77 -1.205 -13.032 -4.632 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.053 -12.396 -2.595 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -1.662 -11.931 -2.493 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -1.074 -13.361 -1.612 1.00 0.90 H new ATOM 0 HG21 VAL A 77 0.745 -14.349 -3.889 1.00 1.04 H new ATOM 0 HG22 VAL A 77 -0.340 -15.419 -2.970 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.452 -15.349 -4.745 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.572 -16.495 -2.953 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.343 -17.545 -1.991 1.00 0.41 C ATOM 1130 C LYS A 78 -1.059 -18.285 -2.341 1.00 0.40 C ATOM 1131 O LYS A 78 -1.011 -19.082 -3.271 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.546 -18.500 -1.882 1.00 0.48 C ATOM 1133 CG LYS A 78 -4.387 -18.661 -3.150 1.00 0.77 C ATOM 1134 CD LYS A 78 -3.703 -19.499 -4.224 1.00 0.61 C ATOM 1135 CE LYS A 78 -3.345 -20.898 -3.730 1.00 1.29 C ATOM 1136 NZ LYS A 78 -4.541 -21.697 -3.352 1.00 1.54 N ATOM 0 H LYS A 78 -2.532 -16.798 -3.926 1.00 0.39 H new ATOM 0 HA LYS A 78 -2.228 -17.094 -1.006 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.180 -19.483 -1.585 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.195 -18.146 -1.081 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -5.339 -19.123 -2.890 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.612 -17.675 -3.556 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -4.359 -19.580 -5.091 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -2.797 -18.991 -4.556 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -2.793 -21.424 -4.509 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -2.681 -20.816 -2.869 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -4.245 -22.654 -3.072 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -5.027 -21.238 -2.555 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -5.188 -21.758 -4.164 1.00 1.54 H new ATOM 1150 N ALA A 79 -0.006 -17.980 -1.609 1.00 0.39 N ATOM 1151 CA ALA A 79 1.290 -18.590 -1.844 1.00 0.40 C ATOM 1152 C ALA A 79 2.204 -18.331 -0.671 1.00 0.43 C ATOM 1153 O ALA A 79 2.203 -17.237 -0.127 1.00 0.67 O ATOM 1154 CB ALA A 79 1.918 -18.056 -3.125 1.00 0.46 C ATOM 0 H ALA A 79 -0.022 -17.309 -0.841 1.00 0.39 H new ATOM 0 HA ALA A 79 1.148 -19.665 -1.956 1.00 0.40 H new ATOM 0 HB1 ALA A 79 2.888 -18.528 -3.279 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.267 -18.280 -3.970 1.00 0.46 H new ATOM 0 HB3 ALA A 79 2.049 -16.977 -3.044 1.00 0.46 H new ATOM 1160 N ALA A 80 2.986 -19.333 -0.299 1.00 0.34 N ATOM 1161 CA ALA A 80 3.867 -19.225 0.851 1.00 0.33 C ATOM 1162 C ALA A 80 5.068 -18.340 0.544 1.00 0.34 C ATOM 1163 O ALA A 80 6.065 -18.786 -0.034 1.00 0.44 O ATOM 1164 CB ALA A 80 4.312 -20.603 1.301 1.00 0.37 C ATOM 0 H ALA A 80 3.027 -20.232 -0.779 1.00 0.34 H new ATOM 0 HA ALA A 80 3.312 -18.756 1.664 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.972 -20.509 2.163 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.439 -21.196 1.575 1.00 0.37 H new ATOM 0 HB3 ALA A 80 4.845 -21.096 0.488 1.00 0.37 H new ATOM 1170 N GLY A 81 4.948 -17.079 0.919 1.00 0.28 N ATOM 1171 CA GLY A 81 6.003 -16.119 0.696 1.00 0.29 C ATOM 1172 C GLY A 81 5.882 -14.952 1.646 1.00 0.25 C ATOM 1173 O GLY A 81 4.866 -14.790 2.310 1.00 0.26 O ATOM 0 H GLY A 81 4.123 -16.698 1.382 1.00 0.28 H new ATOM 0 HA2 GLY A 81 6.972 -16.601 0.828 1.00 0.29 H new ATOM 0 HA3 GLY A 81 5.962 -15.761 -0.333 1.00 0.29 H new ATOM 1177 N THR A 82 6.906 -14.145 1.741 1.00 0.26 N ATOM 1178 CA THR A 82 6.827 -12.979 2.584 1.00 0.25 C ATOM 1179 C THR A 82 6.613 -11.753 1.710 1.00 0.25 C ATOM 1180 O THR A 82 7.262 -11.596 0.676 1.00 0.30 O ATOM 1181 CB THR A 82 8.093 -12.812 3.442 1.00 0.32 C ATOM 1182 OG1 THR A 82 8.503 -14.089 3.951 1.00 0.40 O ATOM 1183 CG2 THR A 82 7.817 -11.873 4.606 1.00 0.36 C ATOM 0 H THR A 82 7.793 -14.269 1.253 1.00 0.26 H new ATOM 0 HA THR A 82 5.988 -13.099 3.269 1.00 0.25 H new ATOM 0 HB THR A 82 8.885 -12.392 2.822 1.00 0.32 H new ATOM 0 HG1 THR A 82 9.310 -13.980 4.496 1.00 0.40 H new ATOM 0 HG21 THR A 82 8.720 -11.762 5.206 1.00 0.36 H new ATOM 0 HG22 THR A 82 7.514 -10.898 4.223 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.019 -12.284 5.224 1.00 0.36 H new ATOM 1191 N HIS A 83 5.694 -10.898 2.112 1.00 0.24 N ATOM 1192 CA HIS A 83 5.318 -9.761 1.302 1.00 0.25 C ATOM 1193 C HIS A 83 5.963 -8.505 1.866 1.00 0.24 C ATOM 1194 O HIS A 83 5.532 -7.975 2.888 1.00 0.24 O ATOM 1195 CB HIS A 83 3.784 -9.599 1.273 1.00 0.27 C ATOM 1196 CG HIS A 83 3.282 -8.798 0.109 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.618 -7.480 -0.091 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.455 -9.132 -0.909 1.00 0.37 C ATOM 1199 CE1 HIS A 83 3.023 -7.032 -1.180 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.309 -8.013 -1.699 1.00 0.39 N ATOM 0 H HIS A 83 5.194 -10.971 2.998 1.00 0.24 H new ATOM 0 HA HIS A 83 5.665 -9.923 0.281 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.324 -10.587 1.248 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.461 -9.121 2.198 1.00 0.27 H new ATOM 0 HD1 HIS A 83 4.233 -6.932 0.511 1.00 0.40 H new ATOM 0 HD2 HIS A 83 1.995 -10.096 -1.072 1.00 0.37 H new ATOM 0 HE1 HIS A 83 3.106 -6.032 -1.579 1.00 0.40 H new ATOM 1209 N ALA A 84 6.988 -8.028 1.190 1.00 0.25 N ATOM 1210 CA ALA A 84 7.663 -6.815 1.612 1.00 0.25 C ATOM 1211 C ALA A 84 7.187 -5.667 0.750 1.00 0.25 C ATOM 1212 O ALA A 84 7.517 -5.574 -0.431 1.00 0.35 O ATOM 1213 CB ALA A 84 9.173 -6.978 1.518 1.00 0.31 C ATOM 0 H ALA A 84 7.372 -8.459 0.349 1.00 0.25 H new ATOM 0 HA ALA A 84 7.423 -6.607 2.655 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.659 -6.057 1.839 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.491 -7.799 2.160 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.452 -7.195 0.487 1.00 0.31 H new ATOM 1219 N VAL A 85 6.372 -4.813 1.338 1.00 0.22 N ATOM 1220 CA VAL A 85 5.692 -3.786 0.584 1.00 0.23 C ATOM 1221 C VAL A 85 6.327 -2.437 0.823 1.00 0.22 C ATOM 1222 O VAL A 85 6.243 -1.896 1.928 1.00 0.25 O ATOM 1223 CB VAL A 85 4.210 -3.693 0.973 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.361 -3.342 -0.239 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.739 -4.977 1.628 1.00 0.59 C ATOM 0 H VAL A 85 6.167 -4.813 2.337 1.00 0.22 H new ATOM 0 HA VAL A 85 5.775 -4.060 -0.468 1.00 0.23 H new ATOM 0 HB VAL A 85 4.096 -2.893 1.704 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.313 -3.280 0.056 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.682 -2.381 -0.642 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.479 -4.112 -1.001 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.686 -4.885 1.894 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.867 -5.808 0.934 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.325 -5.163 2.528 1.00 0.59 H new ATOM 1235 N ASN A 86 6.983 -1.920 -0.207 1.00 0.22 N ATOM 1236 CA ASN A 86 7.554 -0.579 -0.180 1.00 0.22 C ATOM 1237 C ASN A 86 6.829 0.293 -1.194 1.00 0.20 C ATOM 1238 O ASN A 86 7.047 0.174 -2.397 1.00 0.24 O ATOM 1239 CB ASN A 86 9.057 -0.604 -0.510 1.00 0.28 C ATOM 1240 CG ASN A 86 9.931 -1.164 0.604 1.00 0.85 C ATOM 1241 OD1 ASN A 86 9.398 -2.087 1.387 1.00 1.53 O flip ATOM 1242 ND2 ASN A 86 11.083 -0.766 0.754 1.00 0.94 N flip ATOM 0 H ASN A 86 7.135 -2.417 -1.084 1.00 0.22 H new ATOM 0 HA ASN A 86 7.433 -0.174 0.825 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.210 -1.199 -1.410 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.384 0.410 -0.738 1.00 0.28 H new ATOM 0 HD21 ASN A 86 11.461 -0.053 0.131 1.00 0.94 H new ATOM 0 HD22 ASN A 86 11.662 -1.149 1.502 1.00 0.94 H new ATOM 1249 N LEU A 87 5.962 1.161 -0.707 1.00 0.18 N ATOM 1250 CA LEU A 87 5.188 2.031 -1.582 1.00 0.19 C ATOM 1251 C LEU A 87 5.743 3.429 -1.506 1.00 0.18 C ATOM 1252 O LEU A 87 5.924 3.963 -0.420 1.00 0.18 O ATOM 1253 CB LEU A 87 3.713 2.045 -1.184 1.00 0.20 C ATOM 1254 CG LEU A 87 3.014 0.689 -1.223 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.625 0.799 -0.622 1.00 0.24 C ATOM 1256 CD2 LEU A 87 2.947 0.176 -2.642 1.00 0.22 C ATOM 0 H LEU A 87 5.774 1.285 0.288 1.00 0.18 H new ATOM 0 HA LEU A 87 5.261 1.651 -2.601 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.630 2.449 -0.175 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.181 2.728 -1.846 1.00 0.20 H new ATOM 0 HG LEU A 87 3.588 -0.023 -0.630 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.136 -0.175 -0.655 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.702 1.131 0.413 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.038 1.519 -1.192 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.446 -0.792 -2.656 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.390 0.882 -3.258 1.00 0.22 H new ATOM 0 HD23 LEU A 87 3.957 0.068 -3.038 1.00 0.22 H new ATOM 1268 N THR A 88 5.989 4.027 -2.641 1.00 0.21 N ATOM 1269 CA THR A 88 6.672 5.292 -2.683 1.00 0.21 C ATOM 1270 C THR A 88 5.677 6.425 -2.921 1.00 0.21 C ATOM 1271 O THR A 88 4.935 6.429 -3.901 1.00 0.29 O ATOM 1272 CB THR A 88 7.752 5.255 -3.775 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.468 4.021 -3.685 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.728 6.406 -3.614 1.00 0.29 C ATOM 0 H THR A 88 5.725 3.656 -3.554 1.00 0.21 H new ATOM 0 HA THR A 88 7.157 5.477 -1.724 1.00 0.21 H new ATOM 0 HB THR A 88 7.265 5.344 -4.746 1.00 0.25 H new ATOM 0 HG1 THR A 88 7.951 3.310 -4.119 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.482 6.356 -4.400 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.191 7.352 -3.686 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.213 6.338 -2.640 1.00 0.29 H new ATOM 1282 N TYR A 89 5.659 7.365 -1.993 1.00 0.24 N ATOM 1283 CA TYR A 89 4.706 8.464 -1.998 1.00 0.27 C ATOM 1284 C TYR A 89 5.299 9.649 -2.757 1.00 0.27 C ATOM 1285 O TYR A 89 5.900 10.541 -2.158 1.00 0.30 O ATOM 1286 CB TYR A 89 4.393 8.856 -0.545 1.00 0.37 C ATOM 1287 CG TYR A 89 3.131 9.659 -0.358 1.00 0.45 C ATOM 1288 CD1 TYR A 89 2.179 9.722 -1.361 1.00 0.68 C ATOM 1289 CD2 TYR A 89 2.894 10.349 0.813 1.00 1.00 C ATOM 1290 CE1 TYR A 89 1.022 10.452 -1.195 1.00 0.69 C ATOM 1291 CE2 TYR A 89 1.741 11.081 0.986 1.00 1.11 C ATOM 1292 CZ TYR A 89 0.815 11.137 -0.012 1.00 0.68 C ATOM 1293 OH TYR A 89 -0.351 11.846 0.169 1.00 0.80 O ATOM 0 H TYR A 89 6.310 7.389 -1.208 1.00 0.24 H new ATOM 0 HA TYR A 89 3.784 8.161 -2.494 1.00 0.27 H new ATOM 0 HB2 TYR A 89 4.319 7.947 0.052 1.00 0.37 H new ATOM 0 HB3 TYR A 89 5.232 9.429 -0.151 1.00 0.37 H new ATOM 0 HD1 TYR A 89 2.345 9.191 -2.287 1.00 0.68 H new ATOM 0 HD2 TYR A 89 3.625 10.314 1.607 1.00 1.00 H new ATOM 0 HE1 TYR A 89 0.283 10.489 -1.982 1.00 0.69 H new ATOM 0 HE2 TYR A 89 1.571 11.610 1.912 1.00 1.11 H new ATOM 0 HH TYR A 89 -0.357 12.243 1.065 1.00 0.80 H new ATOM 1303 N MET A 90 5.140 9.654 -4.077 1.00 0.29 N ATOM 1304 CA MET A 90 5.758 10.693 -4.899 1.00 0.34 C ATOM 1305 C MET A 90 4.746 11.326 -5.817 1.00 0.38 C ATOM 1306 O MET A 90 3.626 10.851 -5.949 1.00 0.47 O ATOM 1307 CB MET A 90 6.866 10.162 -5.799 1.00 0.37 C ATOM 1308 CG MET A 90 7.630 8.973 -5.268 1.00 0.36 C ATOM 1309 SD MET A 90 8.837 8.365 -6.463 1.00 0.65 S ATOM 1310 CE MET A 90 7.769 7.879 -7.824 1.00 0.54 C ATOM 0 H MET A 90 4.598 8.963 -4.595 1.00 0.29 H new ATOM 0 HA MET A 90 6.169 11.407 -4.185 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.429 9.890 -6.760 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.573 10.970 -5.988 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.140 9.251 -4.346 1.00 0.36 H new ATOM 0 HG3 MET A 90 6.932 8.174 -5.018 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.379 7.583 -8.677 1.00 0.54 H new ATOM 0 HE2 MET A 90 7.145 7.040 -7.515 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.134 8.719 -8.106 1.00 0.54 H new ATOM 1320 N ARG A 91 5.167 12.376 -6.484 1.00 0.40 N ATOM 1321 CA ARG A 91 4.359 13.005 -7.499 1.00 0.49 C ATOM 1322 C ARG A 91 4.543 12.274 -8.818 1.00 0.58 C ATOM 1323 O ARG A 91 5.598 12.355 -9.419 1.00 0.65 O ATOM 1324 CB ARG A 91 4.763 14.475 -7.635 1.00 0.55 C ATOM 1325 CG ARG A 91 3.749 15.450 -7.056 1.00 0.67 C ATOM 1326 CD ARG A 91 4.251 16.884 -7.101 1.00 0.79 C ATOM 1327 NE ARG A 91 5.296 17.139 -6.106 1.00 1.37 N ATOM 1328 CZ ARG A 91 5.526 18.338 -5.562 1.00 1.71 C ATOM 1329 NH1 ARG A 91 4.815 19.390 -5.947 1.00 1.74 N ATOM 1330 NH2 ARG A 91 6.469 18.484 -4.639 1.00 2.59 N ATOM 0 H ARG A 91 6.076 12.815 -6.338 1.00 0.40 H new ATOM 0 HA ARG A 91 3.307 12.957 -7.217 1.00 0.49 H new ATOM 0 HB2 ARG A 91 5.721 14.625 -7.138 1.00 0.55 H new ATOM 0 HB3 ARG A 91 4.911 14.705 -8.690 1.00 0.55 H new ATOM 0 HG2 ARG A 91 2.815 15.375 -7.612 1.00 0.67 H new ATOM 0 HG3 ARG A 91 3.529 15.175 -6.025 1.00 0.67 H new ATOM 0 HD2 ARG A 91 4.640 17.099 -8.096 1.00 0.79 H new ATOM 0 HD3 ARG A 91 3.417 17.564 -6.931 1.00 0.79 H new ATOM 0 HE ARG A 91 5.881 16.357 -5.812 1.00 1.37 H new ATOM 0 HH11 ARG A 91 4.092 19.284 -6.659 1.00 1.74 H new ATOM 0 HH12 ARG A 91 4.991 20.305 -5.531 1.00 1.74 H new ATOM 0 HH21 ARG A 91 7.021 17.679 -4.342 1.00 2.59 H new ATOM 0 HH22 ARG A 91 6.641 19.401 -4.226 1.00 2.59 H new ATOM 1344 N PRO A 92 3.505 11.556 -9.268 1.00 0.67 N ATOM 1345 CA PRO A 92 3.569 10.596 -10.387 1.00 0.81 C ATOM 1346 C PRO A 92 4.394 11.048 -11.599 1.00 0.91 C ATOM 1347 O PRO A 92 5.046 10.228 -12.247 1.00 1.04 O ATOM 1348 CB PRO A 92 2.095 10.408 -10.786 1.00 0.92 C ATOM 1349 CG PRO A 92 1.295 11.306 -9.891 1.00 0.88 C ATOM 1350 CD PRO A 92 2.152 11.602 -8.704 1.00 0.72 C ATOM 0 HA PRO A 92 4.080 9.688 -10.066 1.00 0.81 H new ATOM 0 HB2 PRO A 92 1.940 10.667 -11.834 1.00 0.92 H new ATOM 0 HB3 PRO A 92 1.790 9.368 -10.666 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.021 12.225 -10.409 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.367 10.822 -9.587 1.00 0.88 H new ATOM 0 HD2 PRO A 92 1.925 12.577 -8.273 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.017 10.865 -7.913 1.00 0.72 H new ATOM 1358 N TRP A 93 4.375 12.339 -11.900 1.00 0.90 N ATOM 1359 CA TRP A 93 5.056 12.855 -13.085 1.00 1.03 C ATOM 1360 C TRP A 93 6.528 13.189 -12.817 1.00 1.03 C ATOM 1361 O TRP A 93 7.222 13.692 -13.698 1.00 1.17 O ATOM 1362 CB TRP A 93 4.319 14.090 -13.618 1.00 1.08 C ATOM 1363 CG TRP A 93 4.029 15.120 -12.564 1.00 0.98 C ATOM 1364 CD1 TRP A 93 4.806 16.190 -12.221 1.00 1.01 C ATOM 1365 CD2 TRP A 93 2.874 15.177 -11.718 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.208 16.902 -11.211 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.018 16.302 -10.887 1.00 0.94 C ATOM 1368 CE3 TRP A 93 1.733 14.382 -11.585 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.063 16.652 -9.935 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 0.787 14.728 -10.640 1.00 0.96 C ATOM 1371 CH2 TRP A 93 0.957 15.855 -9.827 1.00 0.99 C ATOM 0 H TRP A 93 3.898 13.048 -11.344 1.00 0.90 H new ATOM 0 HA TRP A 93 5.040 12.066 -13.837 1.00 1.03 H new ATOM 0 HB2 TRP A 93 4.917 14.547 -14.406 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.380 13.774 -14.073 1.00 1.08 H new ATOM 0 HD1 TRP A 93 5.752 16.439 -12.678 1.00 1.01 H new ATOM 0 HE1 TRP A 93 4.587 17.741 -10.773 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.593 13.512 -12.210 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.191 17.520 -9.306 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 -0.098 14.119 -10.526 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.198 16.100 -9.099 1.00 0.99 H new ATOM 1382 N THR A 94 7.004 12.909 -11.608 1.00 0.91 N ATOM 1383 CA THR A 94 8.398 13.163 -11.265 1.00 0.95 C ATOM 1384 C THR A 94 8.771 12.519 -9.920 1.00 0.86 C ATOM 1385 O THR A 94 9.657 11.667 -9.867 1.00 1.07 O ATOM 1386 CB THR A 94 8.711 14.685 -11.250 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.070 14.909 -10.857 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.774 15.458 -10.329 1.00 0.85 C ATOM 0 H THR A 94 6.448 12.508 -10.853 1.00 0.91 H new ATOM 0 HA THR A 94 9.010 12.702 -12.040 1.00 0.95 H new ATOM 0 HB THR A 94 8.556 15.054 -12.264 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.255 15.871 -10.853 1.00 1.09 H new ATOM 0 HG21 THR A 94 8.032 16.517 -10.352 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.745 15.328 -10.665 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.874 15.083 -9.310 1.00 0.85 H new ATOM 1396 N GLY A 95 8.074 12.900 -8.855 1.00 0.64 N ATOM 1397 CA GLY A 95 8.388 12.393 -7.532 1.00 0.60 C ATOM 1398 C GLY A 95 9.738 12.862 -7.060 1.00 0.70 C ATOM 1399 O GLY A 95 10.718 12.115 -7.117 1.00 1.16 O ATOM 0 H GLY A 95 7.293 13.555 -8.885 1.00 0.64 H new ATOM 0 HA2 GLY A 95 7.623 12.719 -6.827 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.366 11.303 -7.546 1.00 0.60 H new ATOM 1403 N PRO A 96 9.802 14.114 -6.592 1.00 0.64 N ATOM 1404 CA PRO A 96 11.039 14.731 -6.118 1.00 0.90 C ATOM 1405 C PRO A 96 11.801 13.819 -5.159 1.00 0.98 C ATOM 1406 O PRO A 96 11.280 13.415 -4.119 1.00 1.17 O ATOM 1407 CB PRO A 96 10.542 15.988 -5.412 1.00 1.02 C ATOM 1408 CG PRO A 96 9.267 16.329 -6.088 1.00 1.20 C ATOM 1409 CD PRO A 96 8.651 15.026 -6.484 1.00 0.97 C ATOM 0 HA PRO A 96 11.746 14.936 -6.922 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.389 15.809 -4.348 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.264 16.800 -5.498 1.00 1.02 H new ATOM 0 HG2 PRO A 96 8.608 16.886 -5.421 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.444 16.958 -6.960 1.00 1.20 H new ATOM 0 HD2 PRO A 96 7.934 14.679 -5.740 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.115 15.108 -7.429 1.00 0.97 H new ATOM 1417 N SER A 97 13.040 13.512 -5.540 1.00 1.20 N ATOM 1418 CA SER A 97 13.858 12.492 -4.891 1.00 1.48 C ATOM 1419 C SER A 97 13.917 12.643 -3.370 1.00 1.31 C ATOM 1420 O SER A 97 13.880 11.647 -2.648 1.00 1.86 O ATOM 1421 CB SER A 97 15.275 12.519 -5.475 1.00 2.04 C ATOM 1422 OG SER A 97 16.051 11.431 -5.000 1.00 2.64 O ATOM 0 H SER A 97 13.509 13.972 -6.320 1.00 1.20 H new ATOM 0 HA SER A 97 13.383 11.531 -5.090 1.00 1.48 H new ATOM 0 HB2 SER A 97 15.222 12.483 -6.563 1.00 2.04 H new ATOM 0 HB3 SER A 97 15.761 13.458 -5.210 1.00 2.04 H new ATOM 0 HG SER A 97 16.949 11.474 -5.391 1.00 2.64 H new ATOM 1428 N HIS A 98 14.004 13.870 -2.875 1.00 1.20 N ATOM 1429 CA HIS A 98 14.116 14.077 -1.436 1.00 1.22 C ATOM 1430 C HIS A 98 12.870 14.753 -0.886 1.00 0.98 C ATOM 1431 O HIS A 98 12.888 15.295 0.217 1.00 1.07 O ATOM 1432 CB HIS A 98 15.370 14.897 -1.087 1.00 1.58 C ATOM 1433 CG HIS A 98 15.347 16.329 -1.545 1.00 2.34 C ATOM 1434 ND1 HIS A 98 15.998 16.767 -2.676 1.00 3.02 N ATOM 1435 CD2 HIS A 98 14.761 17.426 -1.004 1.00 3.23 C ATOM 1436 CE1 HIS A 98 15.814 18.066 -2.814 1.00 3.95 C ATOM 1437 NE2 HIS A 98 15.066 18.489 -1.813 1.00 4.09 N ATOM 0 H HIS A 98 14.000 14.723 -3.435 1.00 1.20 H new ATOM 0 HA HIS A 98 14.211 13.097 -0.969 1.00 1.22 H new ATOM 0 HB2 HIS A 98 15.506 14.880 -0.006 1.00 1.58 H new ATOM 0 HB3 HIS A 98 16.239 14.406 -1.525 1.00 1.58 H new ATOM 0 HD2 HIS A 98 14.165 17.456 -0.104 1.00 3.23 H new ATOM 0 HE1 HIS A 98 16.209 18.679 -3.611 1.00 3.95 H new ATOM 0 HE2 HIS A 98 14.764 19.452 -1.665 1.00 4.09 H new ATOM 1446 N ASP A 99 11.788 14.719 -1.649 1.00 0.79 N ATOM 1447 CA ASP A 99 10.566 15.398 -1.245 1.00 0.79 C ATOM 1448 C ASP A 99 9.427 14.390 -1.158 1.00 0.77 C ATOM 1449 O ASP A 99 8.298 14.720 -0.806 1.00 1.35 O ATOM 1450 CB ASP A 99 10.258 16.509 -2.250 1.00 0.96 C ATOM 1451 CG ASP A 99 9.200 17.486 -1.787 1.00 1.18 C ATOM 1452 OD1 ASP A 99 9.162 17.814 -0.581 1.00 1.35 O ATOM 1453 OD2 ASP A 99 8.432 17.976 -2.644 1.00 1.67 O ATOM 0 H ASP A 99 11.731 14.233 -2.544 1.00 0.79 H new ATOM 0 HA ASP A 99 10.689 15.849 -0.260 1.00 0.79 H new ATOM 0 HB2 ASP A 99 11.176 17.057 -2.461 1.00 0.96 H new ATOM 0 HB3 ASP A 99 9.934 16.057 -3.187 1.00 0.96 H new ATOM 1458 N SER A 100 9.756 13.142 -1.461 1.00 0.51 N ATOM 1459 CA SER A 100 8.795 12.058 -1.458 1.00 0.45 C ATOM 1460 C SER A 100 8.864 11.268 -0.147 1.00 0.46 C ATOM 1461 O SER A 100 9.885 11.279 0.547 1.00 0.69 O ATOM 1462 CB SER A 100 9.086 11.137 -2.644 1.00 0.55 C ATOM 1463 OG SER A 100 10.466 10.812 -2.706 1.00 1.39 O ATOM 0 H SER A 100 10.701 12.856 -1.716 1.00 0.51 H new ATOM 0 HA SER A 100 7.790 12.471 -1.545 1.00 0.45 H new ATOM 0 HB2 SER A 100 8.497 10.224 -2.554 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.781 11.623 -3.571 1.00 0.55 H new ATOM 0 HG SER A 100 10.947 11.518 -3.187 1.00 1.39 H new ATOM 1469 N GLU A 101 7.769 10.601 0.191 1.00 0.35 N ATOM 1470 CA GLU A 101 7.724 9.713 1.345 1.00 0.40 C ATOM 1471 C GLU A 101 7.670 8.269 0.843 1.00 0.40 C ATOM 1472 O GLU A 101 7.609 8.046 -0.366 1.00 0.68 O ATOM 1473 CB GLU A 101 6.504 10.053 2.222 1.00 0.46 C ATOM 1474 CG GLU A 101 6.465 9.324 3.558 1.00 0.62 C ATOM 1475 CD GLU A 101 5.339 9.797 4.458 1.00 1.06 C ATOM 1476 OE1 GLU A 101 4.165 9.468 4.171 1.00 1.91 O ATOM 1477 OE2 GLU A 101 5.613 10.502 5.447 1.00 1.19 O ATOM 0 H GLU A 101 6.891 10.659 -0.324 1.00 0.35 H new ATOM 0 HA GLU A 101 8.614 9.840 1.961 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.494 11.127 2.408 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.596 9.817 1.667 1.00 0.46 H new ATOM 0 HG2 GLU A 101 6.355 8.254 3.379 1.00 0.62 H new ATOM 0 HG3 GLU A 101 7.416 9.465 4.071 1.00 0.62 H new ATOM 1484 N ARG A 102 7.709 7.294 1.738 1.00 0.22 N ATOM 1485 CA ARG A 102 7.614 5.900 1.333 1.00 0.18 C ATOM 1486 C ARG A 102 7.163 5.038 2.498 1.00 0.17 C ATOM 1487 O ARG A 102 7.525 5.269 3.651 1.00 0.20 O ATOM 1488 CB ARG A 102 8.959 5.401 0.772 1.00 0.23 C ATOM 1489 CG ARG A 102 8.861 4.079 0.017 1.00 0.26 C ATOM 1490 CD ARG A 102 10.155 3.741 -0.713 1.00 0.36 C ATOM 1491 NE ARG A 102 9.957 2.732 -1.761 1.00 0.37 N ATOM 1492 CZ ARG A 102 10.947 2.052 -2.337 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.203 2.255 -1.964 1.00 0.62 N ATOM 1494 NH2 ARG A 102 10.680 1.182 -3.301 1.00 0.52 N ATOM 0 H ARG A 102 7.805 7.440 2.743 1.00 0.22 H new ATOM 0 HA ARG A 102 6.869 5.823 0.541 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.367 6.160 0.105 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.665 5.287 1.595 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.620 3.279 0.717 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.043 4.131 -0.701 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.566 4.647 -1.158 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.890 3.377 0.005 1.00 0.36 H new ATOM 0 HE ARG A 102 9.003 2.540 -2.067 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.414 2.934 -1.233 1.00 0.62 H new ATOM 0 HH12 ARG A 102 12.958 1.732 -2.408 1.00 0.62 H new ATOM 0 HH21 ARG A 102 9.717 1.033 -3.601 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.438 0.661 -3.742 1.00 0.52 H new ATOM 1508 N PHE A 103 6.350 4.058 2.167 1.00 0.15 N ATOM 1509 CA PHE A 103 5.763 3.156 3.130 1.00 0.17 C ATOM 1510 C PHE A 103 6.472 1.815 3.077 1.00 0.18 C ATOM 1511 O PHE A 103 7.112 1.492 2.072 1.00 0.21 O ATOM 1512 CB PHE A 103 4.272 2.983 2.808 1.00 0.18 C ATOM 1513 CG PHE A 103 3.815 1.564 2.786 1.00 0.35 C ATOM 1514 CD1 PHE A 103 4.043 0.787 1.692 1.00 0.51 C ATOM 1515 CD2 PHE A 103 3.138 1.017 3.852 1.00 0.55 C ATOM 1516 CE1 PHE A 103 3.611 -0.520 1.652 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.700 -0.281 3.820 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.998 -1.072 2.777 1.00 0.86 C ATOM 0 H PHE A 103 6.075 3.864 1.204 1.00 0.15 H new ATOM 0 HA PHE A 103 5.871 3.565 4.134 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.686 3.531 3.546 1.00 0.18 H new ATOM 0 HB3 PHE A 103 4.066 3.435 1.838 1.00 0.18 H new ATOM 0 HD1 PHE A 103 4.569 1.201 0.845 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.949 1.620 4.728 1.00 0.55 H new ATOM 0 HE1 PHE A 103 3.745 -1.112 0.759 1.00 0.75 H new ATOM 0 HE2 PHE A 103 2.112 -0.670 4.638 1.00 0.78 H new ATOM 0 HZ PHE A 103 2.765 -2.126 2.809 1.00 0.86 H new ATOM 1528 N THR A 104 6.294 1.014 4.117 1.00 0.17 N ATOM 1529 CA THR A 104 6.905 -0.289 4.183 1.00 0.19 C ATOM 1530 C THR A 104 6.249 -1.128 5.271 1.00 0.17 C ATOM 1531 O THR A 104 6.467 -0.884 6.459 1.00 0.18 O ATOM 1532 CB THR A 104 8.420 -0.195 4.475 1.00 0.24 C ATOM 1533 OG1 THR A 104 9.112 0.405 3.370 1.00 0.31 O ATOM 1534 CG2 THR A 104 9.004 -1.567 4.759 1.00 0.26 C ATOM 0 H THR A 104 5.725 1.254 4.929 1.00 0.17 H new ATOM 0 HA THR A 104 6.763 -0.759 3.210 1.00 0.19 H new ATOM 0 HB THR A 104 8.550 0.431 5.358 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.483 0.558 2.634 1.00 0.31 H new ATOM 0 HG21 THR A 104 10.071 -1.474 4.961 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.507 -2.002 5.626 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.854 -2.213 3.894 1.00 0.26 H new ATOM 1542 N VAL A 105 5.415 -2.087 4.888 1.00 0.17 N ATOM 1543 CA VAL A 105 5.003 -3.086 5.838 1.00 0.17 C ATOM 1544 C VAL A 105 5.616 -4.420 5.455 1.00 0.21 C ATOM 1545 O VAL A 105 5.671 -4.779 4.275 1.00 0.25 O ATOM 1546 CB VAL A 105 3.469 -3.228 5.959 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.852 -3.683 4.651 1.00 0.79 C ATOM 1548 CG2 VAL A 105 3.127 -4.197 7.072 1.00 0.88 C ATOM 0 H VAL A 105 5.025 -2.186 3.951 1.00 0.17 H new ATOM 0 HA VAL A 105 5.357 -2.761 6.816 1.00 0.17 H new ATOM 0 HB VAL A 105 3.053 -2.249 6.197 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.772 -3.773 4.770 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.072 -2.953 3.872 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.268 -4.650 4.370 1.00 0.79 H new ATOM 0 HG21 VAL A 105 2.044 -4.292 7.152 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.562 -5.172 6.852 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.529 -3.825 8.015 1.00 0.88 H new ATOM 1558 N TYR A 106 6.114 -5.124 6.444 1.00 0.24 N ATOM 1559 CA TYR A 106 6.613 -6.462 6.238 1.00 0.28 C ATOM 1560 C TYR A 106 5.590 -7.439 6.766 1.00 0.27 C ATOM 1561 O TYR A 106 5.459 -7.614 7.972 1.00 0.36 O ATOM 1562 CB TYR A 106 7.930 -6.681 6.977 1.00 0.38 C ATOM 1563 CG TYR A 106 9.068 -5.796 6.529 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.801 -6.100 5.387 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.394 -4.644 7.231 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.825 -5.277 4.960 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.419 -3.820 6.812 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.198 -4.197 5.736 1.00 0.58 C ATOM 1569 OH TYR A 106 12.145 -3.316 5.248 1.00 0.70 O ATOM 0 H TYR A 106 6.184 -4.789 7.405 1.00 0.24 H new ATOM 0 HA TYR A 106 6.788 -6.611 5.173 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.763 -6.521 8.042 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.229 -7.722 6.854 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.566 -6.992 4.826 1.00 0.48 H new ATOM 0 HD2 TYR A 106 8.836 -4.388 8.120 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.330 -5.477 4.026 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.610 -2.887 7.322 1.00 0.57 H new ATOM 0 HH TYR A 106 12.303 -2.607 5.906 1.00 0.70 H new ATOM 1579 N LEU A 107 4.852 -8.056 5.876 1.00 0.26 N ATOM 1580 CA LEU A 107 3.865 -9.025 6.284 1.00 0.29 C ATOM 1581 C LEU A 107 4.079 -10.319 5.528 1.00 0.31 C ATOM 1582 O LEU A 107 4.520 -10.311 4.387 1.00 0.45 O ATOM 1583 CB LEU A 107 2.418 -8.472 6.150 1.00 0.39 C ATOM 1584 CG LEU A 107 1.855 -8.141 4.747 1.00 1.33 C ATOM 1585 CD1 LEU A 107 2.759 -7.200 3.981 1.00 2.12 C ATOM 1586 CD2 LEU A 107 1.571 -9.396 3.937 1.00 2.02 C ATOM 0 H LEU A 107 4.915 -7.906 4.869 1.00 0.26 H new ATOM 0 HA LEU A 107 3.993 -9.236 7.346 1.00 0.29 H new ATOM 0 HB2 LEU A 107 1.747 -9.199 6.608 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.359 -7.563 6.748 1.00 0.39 H new ATOM 0 HG LEU A 107 0.906 -7.630 4.909 1.00 1.33 H new ATOM 0 HD11 LEU A 107 2.325 -6.995 3.002 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.865 -6.267 4.534 1.00 2.12 H new ATOM 0 HD13 LEU A 107 3.739 -7.660 3.854 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.177 -9.117 2.960 1.00 2.02 H new ATOM 0 HD22 LEU A 107 2.493 -9.963 3.808 1.00 2.02 H new ATOM 0 HD23 LEU A 107 0.838 -10.010 4.461 1.00 2.02 H new ATOM 1598 N LYS A 108 3.784 -11.430 6.166 1.00 0.25 N ATOM 1599 CA LYS A 108 4.077 -12.721 5.580 1.00 0.26 C ATOM 1600 C LYS A 108 2.821 -13.338 5.015 1.00 0.24 C ATOM 1601 O LYS A 108 1.916 -13.686 5.759 1.00 0.29 O ATOM 1602 CB LYS A 108 4.684 -13.649 6.621 1.00 0.32 C ATOM 1603 CG LYS A 108 4.991 -15.031 6.078 1.00 0.45 C ATOM 1604 CD LYS A 108 6.317 -15.549 6.604 1.00 0.76 C ATOM 1605 CE LYS A 108 6.561 -16.995 6.207 1.00 1.34 C ATOM 1606 NZ LYS A 108 5.569 -17.920 6.818 1.00 1.89 N ATOM 0 H LYS A 108 3.344 -11.467 7.085 1.00 0.25 H new ATOM 0 HA LYS A 108 4.795 -12.577 4.773 1.00 0.26 H new ATOM 0 HB2 LYS A 108 5.602 -13.204 7.005 1.00 0.32 H new ATOM 0 HB3 LYS A 108 3.997 -13.740 7.463 1.00 0.32 H new ATOM 0 HG2 LYS A 108 4.193 -15.719 6.357 1.00 0.45 H new ATOM 0 HG3 LYS A 108 5.017 -14.998 4.989 1.00 0.45 H new ATOM 0 HD2 LYS A 108 7.126 -14.927 6.222 1.00 0.76 H new ATOM 0 HD3 LYS A 108 6.334 -15.463 7.690 1.00 0.76 H new ATOM 0 HE2 LYS A 108 6.518 -17.084 5.122 1.00 1.34 H new ATOM 0 HE3 LYS A 108 7.565 -17.289 6.512 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 6.063 -18.615 7.414 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 4.901 -17.377 7.401 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 5.048 -18.416 6.067 1.00 1.89 H new ATOM 1620 N ALA A 109 2.813 -13.540 3.709 1.00 0.24 N ATOM 1621 CA ALA A 109 1.612 -13.928 2.997 1.00 0.28 C ATOM 1622 C ALA A 109 1.626 -15.416 2.722 1.00 0.34 C ATOM 1623 O ALA A 109 2.532 -15.925 2.077 1.00 0.53 O ATOM 1624 CB ALA A 109 1.504 -13.146 1.696 1.00 0.37 C ATOM 0 H ALA A 109 3.637 -13.440 3.116 1.00 0.24 H new ATOM 0 HA ALA A 109 0.743 -13.700 3.615 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.599 -13.443 1.167 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.462 -12.079 1.915 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.374 -13.355 1.073 1.00 0.37 H new ATOM 1630 N ASN A 110 0.621 -16.107 3.237 1.00 0.41 N ATOM 1631 CA ASN A 110 0.565 -17.563 3.153 1.00 0.54 C ATOM 1632 C ASN A 110 -0.672 -18.090 3.871 1.00 0.95 C ATOM 1633 O ASN A 110 -1.403 -18.909 3.276 1.00 1.35 O ATOM 1634 CB ASN A 110 1.839 -18.228 3.727 1.00 0.56 C ATOM 1635 CG ASN A 110 2.100 -17.959 5.209 1.00 0.80 C ATOM 1636 OD1 ASN A 110 1.891 -16.733 5.661 1.00 1.58 O flip ATOM 1637 ND2 ASN A 110 2.551 -18.846 5.933 1.00 0.56 N flip ATOM 1638 OXT ASN A 110 -0.932 -17.657 5.008 1.00 1.78 O ATOM 0 H ASN A 110 -0.171 -15.683 3.720 1.00 0.41 H new ATOM 0 HA ASN A 110 0.506 -17.824 2.096 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.767 -19.305 3.577 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.700 -17.883 3.154 1.00 0.56 H new ATOM 0 HD21 ASN A 110 2.702 -19.783 5.558 1.00 0.56 H new ATOM 0 HD22 ASN A 110 2.774 -18.645 6.908 1.00 0.56 H new TER 1645 ASN A 110