USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 738 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 Single : A 3 HIS : no HE2:sc= -7.31! C(o=-7.3!,f=-9.3!) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 1.04 (180deg=-0.493!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -0.0299 (180deg=-0.289) USER MOD Single : A 9 HIS : no HD1:sc= -4.35! C(o=-4.3!,f=-11!) USER MOD Single : A 10 ASN : amide:sc= -5.11! C(o=-5.1!,f=-2.7!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -2.72 K(o=-2.7,f=-0.34) USER MOD Single : A 28 SER OG : rot -177:sc= -3.43! USER MOD Single : A 29 ASN : amide:sc= -2.07 K(o=-2.1,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.382 USER MOD Single : A 37 TYR OH : 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 152:sc= -3.93! USER MOD Single : A 47 ASN : amide:sc=-0.000896 K(o=-0.0009,f=-0.78) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -143:sc= 0 (180deg=-0.672) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0857 USER MOD Single : A 55 ASN : amide:sc= -0.0893 X(o=-0.089,f=0.062) USER MOD Single : A 56 LYS NZ :NH3+ 165:sc= -0.0604 (180deg=-0.226) USER MOD Single : A 57 TYR OH : rot -17:sc= -0.572 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : A 72 HIS : no HE2:sc= -6.01! C(o=-6!,f=-7.6!) USER MOD Single : A 74 HIS : no HD1:sc= -1.18 K(o=-1,f=-4.2!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= -0.0243 (180deg=-0.18) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -9.23! C(o=-9.2!,f=-13!) USER MOD Single : A 86 ASN : amide:sc= -4.85! K(o=-4.8!,f=-0.57) USER MOD Single : A 88 THR OG1 : rot 86:sc= 1.33 USER MOD Single : A 89 TYR OH : rot 107:sc= 0.219 USER MOD Single : A 90 MET CE :methyl -167:sc= -2.91! (180deg=-4.1!) 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=-0.00255 X(o=-0.0026,f=-0.29) USER MOD Single : A 100 SER OG : rot -90:sc= 0.264 USER MOD Single : A 104 THR OG1 : rot -13:sc= 0.675 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0112 USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= -0.0253 (180deg=-0.191) USER MOD Single : A 110 ASN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -5.748 -10.206 5.401 1.00 0.59 N ATOM 2 CA HIS A 3 -4.770 -9.359 6.054 1.00 0.46 C ATOM 3 C HIS A 3 -4.976 -7.931 5.572 1.00 0.43 C ATOM 4 O HIS A 3 -5.301 -7.711 4.408 1.00 0.47 O ATOM 5 CB HIS A 3 -3.344 -9.826 5.739 1.00 0.45 C ATOM 6 CG HIS A 3 -2.324 -8.735 5.847 1.00 0.42 C ATOM 7 ND1 HIS A 3 -2.096 -8.034 7.009 1.00 0.47 N ATOM 8 CD2 HIS A 3 -1.519 -8.182 4.907 1.00 0.45 C ATOM 9 CE1 HIS A 3 -1.209 -7.094 6.784 1.00 0.52 C ATOM 10 NE2 HIS A 3 -0.837 -7.155 5.516 1.00 0.51 N ATOM 0 HA HIS A 3 -4.903 -9.414 7.134 1.00 0.46 H new ATOM 0 HB2 HIS A 3 -3.075 -10.633 6.420 1.00 0.45 H new ATOM 0 HB3 HIS A 3 -3.319 -10.238 4.730 1.00 0.45 H new ATOM 0 HD1 HIS A 3 -2.547 -8.217 7.906 1.00 0.47 H new ATOM 0 HD2 HIS A 3 -1.430 -8.490 3.876 1.00 0.45 H new ATOM 0 HE1 HIS A 3 -0.843 -6.387 7.514 1.00 0.52 H new ATOM 19 N LYS A 4 -4.771 -6.974 6.453 1.00 0.40 N ATOM 20 CA LYS A 4 -5.014 -5.587 6.124 1.00 0.39 C ATOM 21 C LYS A 4 -3.879 -4.692 6.612 1.00 0.35 C ATOM 22 O LYS A 4 -3.400 -4.837 7.735 1.00 0.43 O ATOM 23 CB LYS A 4 -6.321 -5.172 6.781 1.00 0.54 C ATOM 24 CG LYS A 4 -6.813 -3.797 6.382 1.00 0.90 C ATOM 25 CD LYS A 4 -7.726 -3.869 5.168 1.00 1.13 C ATOM 26 CE LYS A 4 -8.473 -2.562 4.949 1.00 1.92 C ATOM 27 NZ LYS A 4 -9.551 -2.700 3.934 1.00 2.36 N ATOM 0 H LYS A 4 -4.436 -7.133 7.403 1.00 0.40 H new ATOM 0 HA LYS A 4 -5.072 -5.477 5.041 1.00 0.39 H new ATOM 0 HB2 LYS A 4 -7.088 -5.905 6.531 1.00 0.54 H new ATOM 0 HB3 LYS A 4 -6.194 -5.199 7.863 1.00 0.54 H new ATOM 0 HG2 LYS A 4 -7.348 -3.343 7.216 1.00 0.90 H new ATOM 0 HG3 LYS A 4 -5.961 -3.153 6.162 1.00 0.90 H new ATOM 0 HD2 LYS A 4 -7.136 -4.104 4.282 1.00 1.13 H new ATOM 0 HD3 LYS A 4 -8.442 -4.680 5.299 1.00 1.13 H new ATOM 0 HE2 LYS A 4 -8.904 -2.228 5.893 1.00 1.92 H new ATOM 0 HE3 LYS A 4 -7.771 -1.792 4.630 1.00 1.92 H new ATOM 0 HZ1 LYS A 4 -10.255 -1.947 4.071 1.00 2.36 H new ATOM 0 HZ2 LYS A 4 -9.142 -2.622 2.981 1.00 2.36 H new ATOM 0 HZ3 LYS A 4 -10.010 -3.627 4.039 1.00 2.36 H new ATOM 41 N VAL A 5 -3.426 -3.787 5.756 1.00 0.31 N ATOM 42 CA VAL A 5 -2.498 -2.752 6.177 1.00 0.33 C ATOM 43 C VAL A 5 -3.098 -1.371 5.982 1.00 0.27 C ATOM 44 O VAL A 5 -3.626 -1.049 4.927 1.00 0.29 O ATOM 45 CB VAL A 5 -1.113 -2.839 5.479 1.00 0.42 C ATOM 46 CG1 VAL A 5 -0.452 -1.475 5.398 1.00 0.44 C ATOM 47 CG2 VAL A 5 -0.214 -3.791 6.238 1.00 0.49 C ATOM 0 H VAL A 5 -3.686 -3.750 4.770 1.00 0.31 H new ATOM 0 HA VAL A 5 -2.324 -2.925 7.239 1.00 0.33 H new ATOM 0 HB VAL A 5 -1.269 -3.207 4.465 1.00 0.42 H new ATOM 0 HG11 VAL A 5 0.515 -1.568 4.905 1.00 0.44 H new ATOM 0 HG12 VAL A 5 -1.086 -0.797 4.828 1.00 0.44 H new ATOM 0 HG13 VAL A 5 -0.310 -1.079 6.404 1.00 0.44 H new ATOM 0 HG21 VAL A 5 0.756 -3.848 5.744 1.00 0.49 H new ATOM 0 HG22 VAL A 5 -0.081 -3.430 7.258 1.00 0.49 H new ATOM 0 HG23 VAL A 5 -0.669 -4.781 6.260 1.00 0.49 H new ATOM 57 N THR A 6 -3.066 -0.606 7.051 1.00 0.41 N ATOM 58 CA THR A 6 -3.384 0.807 7.034 1.00 0.33 C ATOM 59 C THR A 6 -2.138 1.623 7.367 1.00 0.37 C ATOM 60 O THR A 6 -1.118 1.049 7.757 1.00 0.51 O ATOM 61 CB THR A 6 -4.512 1.125 8.022 1.00 0.36 C ATOM 62 OG1 THR A 6 -4.442 0.223 9.136 1.00 0.51 O ATOM 63 CG2 THR A 6 -5.866 1.018 7.344 1.00 0.36 C ATOM 0 H THR A 6 -2.813 -0.955 7.976 1.00 0.41 H new ATOM 0 HA THR A 6 -3.727 1.074 6.034 1.00 0.33 H new ATOM 0 HB THR A 6 -4.391 2.148 8.377 1.00 0.36 H new ATOM 0 HG1 THR A 6 -5.162 0.428 9.768 1.00 0.51 H new ATOM 0 HG21 THR A 6 -6.652 1.248 8.063 1.00 0.36 H new ATOM 0 HG22 THR A 6 -5.915 1.724 6.515 1.00 0.36 H new ATOM 0 HG23 THR A 6 -6.005 0.005 6.966 1.00 0.36 H new ATOM 71 N LYS A 7 -2.233 2.942 7.176 1.00 0.30 N ATOM 72 CA LYS A 7 -1.111 3.888 7.311 1.00 0.28 C ATOM 73 C LYS A 7 -0.107 3.531 8.421 1.00 0.27 C ATOM 74 O LYS A 7 1.095 3.590 8.186 1.00 0.32 O ATOM 75 CB LYS A 7 -1.673 5.298 7.538 1.00 0.27 C ATOM 76 CG LYS A 7 -0.620 6.394 7.614 1.00 0.28 C ATOM 77 CD LYS A 7 0.414 6.271 6.503 1.00 0.42 C ATOM 78 CE LYS A 7 1.352 7.470 6.478 1.00 0.35 C ATOM 79 NZ LYS A 7 1.799 7.860 7.843 1.00 0.83 N ATOM 0 H LYS A 7 -3.109 3.396 6.918 1.00 0.30 H new ATOM 0 HA LYS A 7 -0.544 3.834 6.382 1.00 0.28 H new ATOM 0 HB2 LYS A 7 -2.366 5.533 6.730 1.00 0.27 H new ATOM 0 HB3 LYS A 7 -2.249 5.301 8.463 1.00 0.27 H new ATOM 0 HG2 LYS A 7 -1.105 7.368 7.551 1.00 0.28 H new ATOM 0 HG3 LYS A 7 -0.120 6.349 8.581 1.00 0.28 H new ATOM 0 HD2 LYS A 7 0.993 5.358 6.643 1.00 0.42 H new ATOM 0 HD3 LYS A 7 -0.092 6.184 5.542 1.00 0.42 H new ATOM 0 HE2 LYS A 7 2.222 7.236 5.865 1.00 0.35 H new ATOM 0 HE3 LYS A 7 0.848 8.314 6.007 1.00 0.35 H new ATOM 0 HZ1 LYS A 7 2.584 8.539 7.771 1.00 0.83 H new ATOM 0 HZ2 LYS A 7 1.008 8.299 8.355 1.00 0.83 H new ATOM 0 HZ3 LYS A 7 2.118 7.015 8.358 1.00 0.83 H new ATOM 93 N ALA A 8 -0.587 3.156 9.609 1.00 0.25 N ATOM 94 CA ALA A 8 0.300 2.846 10.746 1.00 0.26 C ATOM 95 C ALA A 8 1.352 1.791 10.394 1.00 0.23 C ATOM 96 O ALA A 8 2.482 1.807 10.903 1.00 0.24 O ATOM 97 CB ALA A 8 -0.514 2.360 11.929 1.00 0.33 C ATOM 0 H ALA A 8 -1.581 3.058 9.814 1.00 0.25 H new ATOM 0 HA ALA A 8 0.821 3.769 11.000 1.00 0.26 H new ATOM 0 HB1 ALA A 8 0.153 2.135 12.761 1.00 0.33 H new ATOM 0 HB2 ALA A 8 -1.219 3.135 12.229 1.00 0.33 H new ATOM 0 HB3 ALA A 8 -1.062 1.460 11.649 1.00 0.33 H new ATOM 103 N HIS A 9 0.983 0.888 9.504 1.00 0.23 N ATOM 104 CA HIS A 9 1.868 -0.191 9.096 1.00 0.23 C ATOM 105 C HIS A 9 3.050 0.338 8.306 1.00 0.23 C ATOM 106 O HIS A 9 3.904 -0.438 7.876 1.00 0.25 O ATOM 107 CB HIS A 9 1.137 -1.235 8.277 1.00 0.28 C ATOM 108 CG HIS A 9 0.079 -1.979 9.023 1.00 0.89 C ATOM 109 ND1 HIS A 9 -1.240 -1.611 8.982 1.00 0.97 N ATOM 110 CD2 HIS A 9 0.131 -3.117 9.753 1.00 1.63 C ATOM 111 CE1 HIS A 9 -1.966 -2.496 9.638 1.00 1.69 C ATOM 112 NE2 HIS A 9 -1.155 -3.421 10.119 1.00 2.12 N ATOM 0 H HIS A 9 0.071 0.880 9.047 1.00 0.23 H new ATOM 0 HA HIS A 9 2.233 -0.661 10.009 1.00 0.23 H new ATOM 0 HB2 HIS A 9 0.681 -0.748 7.415 1.00 0.28 H new ATOM 0 HB3 HIS A 9 1.864 -1.951 7.892 1.00 0.28 H new ATOM 0 HD2 HIS A 9 1.019 -3.680 10.001 1.00 1.63 H new ATOM 0 HE1 HIS A 9 -3.039 -2.469 9.761 1.00 1.69 H new ATOM 0 HE2 HIS A 9 -1.439 -4.229 10.672 1.00 2.12 H new ATOM 121 N ASN A 10 3.072 1.660 8.092 1.00 0.22 N ATOM 122 CA ASN A 10 4.242 2.365 7.561 1.00 0.24 C ATOM 123 C ASN A 10 5.509 1.896 8.295 1.00 0.24 C ATOM 124 O ASN A 10 6.623 2.012 7.787 1.00 0.26 O ATOM 125 CB ASN A 10 4.045 3.886 7.730 1.00 0.31 C ATOM 126 CG ASN A 10 5.243 4.731 7.318 1.00 0.56 C ATOM 127 OD1 ASN A 10 5.500 5.780 7.905 1.00 1.41 O ATOM 128 ND2 ASN A 10 5.961 4.307 6.296 1.00 0.96 N ATOM 0 H ASN A 10 2.277 2.270 8.283 1.00 0.22 H new ATOM 0 HA ASN A 10 4.356 2.142 6.500 1.00 0.24 H new ATOM 0 HB2 ASN A 10 3.180 4.194 7.142 1.00 0.31 H new ATOM 0 HB3 ASN A 10 3.812 4.095 8.774 1.00 0.31 H new ATOM 0 HD21 ASN A 10 6.757 4.855 5.970 1.00 0.96 H new ATOM 0 HD22 ASN A 10 5.720 3.431 5.832 1.00 0.96 H new ATOM 135 N GLY A 11 5.304 1.334 9.486 1.00 0.25 N ATOM 136 CA GLY A 11 6.390 0.753 10.247 1.00 0.26 C ATOM 137 C GLY A 11 5.970 -0.553 10.896 1.00 0.25 C ATOM 138 O GLY A 11 6.005 -0.685 12.117 1.00 0.30 O ATOM 0 H GLY A 11 4.392 1.273 9.938 1.00 0.25 H new ATOM 0 HA2 GLY A 11 7.244 0.578 9.592 1.00 0.26 H new ATOM 0 HA3 GLY A 11 6.716 1.455 11.015 1.00 0.26 H new ATOM 142 N ALA A 12 5.534 -1.512 10.084 1.00 0.24 N ATOM 143 CA ALA A 12 5.049 -2.789 10.608 1.00 0.27 C ATOM 144 C ALA A 12 5.894 -3.975 10.147 1.00 0.28 C ATOM 145 O ALA A 12 6.497 -3.950 9.077 1.00 0.31 O ATOM 146 CB ALA A 12 3.609 -3.001 10.187 1.00 0.32 C ATOM 0 H ALA A 12 5.506 -1.432 9.068 1.00 0.24 H new ATOM 0 HA ALA A 12 5.125 -2.739 11.694 1.00 0.27 H new ATOM 0 HB1 ALA A 12 3.252 -3.953 10.579 1.00 0.32 H new ATOM 0 HB2 ALA A 12 2.992 -2.192 10.580 1.00 0.32 H new ATOM 0 HB3 ALA A 12 3.546 -3.010 9.099 1.00 0.32 H new ATOM 152 N THR A 13 5.921 -5.014 10.978 1.00 0.39 N ATOM 153 CA THR A 13 6.568 -6.282 10.653 1.00 0.44 C ATOM 154 C THR A 13 5.782 -7.433 11.296 1.00 0.56 C ATOM 155 O THR A 13 5.784 -7.581 12.518 1.00 0.95 O ATOM 156 CB THR A 13 8.026 -6.308 11.155 1.00 0.71 C ATOM 157 OG1 THR A 13 8.730 -5.163 10.654 1.00 0.89 O ATOM 158 CG2 THR A 13 8.737 -7.578 10.706 1.00 0.74 C ATOM 0 H THR A 13 5.491 -4.999 11.903 1.00 0.39 H new ATOM 0 HA THR A 13 6.579 -6.396 9.569 1.00 0.44 H new ATOM 0 HB THR A 13 8.012 -6.287 12.245 1.00 0.71 H new ATOM 0 HG1 THR A 13 9.656 -5.182 10.976 1.00 0.89 H new ATOM 0 HG21 THR A 13 9.763 -7.570 11.074 1.00 0.74 H new ATOM 0 HG22 THR A 13 8.215 -8.448 11.105 1.00 0.74 H new ATOM 0 HG23 THR A 13 8.742 -7.626 9.617 1.00 0.74 H new ATOM 166 N LEU A 14 5.089 -8.224 10.477 1.00 0.39 N ATOM 167 CA LEU A 14 4.180 -9.253 10.985 1.00 0.70 C ATOM 168 C LEU A 14 3.863 -10.302 9.915 1.00 0.35 C ATOM 169 O LEU A 14 4.173 -10.115 8.742 1.00 0.88 O ATOM 170 CB LEU A 14 2.887 -8.613 11.554 1.00 1.51 C ATOM 171 CG LEU A 14 1.914 -7.886 10.587 1.00 2.04 C ATOM 172 CD1 LEU A 14 2.631 -6.927 9.652 1.00 2.43 C ATOM 173 CD2 LEU A 14 1.066 -8.873 9.800 1.00 3.00 C ATOM 0 H LEU A 14 5.139 -8.173 9.460 1.00 0.39 H new ATOM 0 HA LEU A 14 4.685 -9.771 11.801 1.00 0.70 H new ATOM 0 HB2 LEU A 14 2.324 -9.400 12.055 1.00 1.51 H new ATOM 0 HB3 LEU A 14 3.185 -7.897 12.320 1.00 1.51 H new ATOM 0 HG LEU A 14 1.250 -7.290 11.213 1.00 2.04 H new ATOM 0 HD11 LEU A 14 1.904 -6.445 8.998 1.00 2.43 H new ATOM 0 HD12 LEU A 14 3.151 -6.169 10.237 1.00 2.43 H new ATOM 0 HD13 LEU A 14 3.353 -7.478 9.049 1.00 2.43 H new ATOM 0 HD21 LEU A 14 0.397 -8.328 9.134 1.00 3.00 H new ATOM 0 HD22 LEU A 14 1.715 -9.522 9.212 1.00 3.00 H new ATOM 0 HD23 LEU A 14 0.477 -9.478 10.490 1.00 3.00 H new ATOM 185 N THR A 15 3.263 -11.412 10.328 1.00 0.70 N ATOM 186 CA THR A 15 2.901 -12.483 9.410 1.00 0.74 C ATOM 187 C THR A 15 1.407 -12.452 9.107 1.00 0.82 C ATOM 188 O THR A 15 0.597 -12.138 9.980 1.00 1.21 O ATOM 189 CB THR A 15 3.254 -13.859 9.995 1.00 1.40 C ATOM 190 OG1 THR A 15 4.660 -13.926 10.271 1.00 1.55 O ATOM 191 CG2 THR A 15 2.848 -14.966 9.033 1.00 1.73 C ATOM 0 H THR A 15 3.016 -11.594 11.301 1.00 0.70 H new ATOM 0 HA THR A 15 3.467 -12.325 8.492 1.00 0.74 H new ATOM 0 HB THR A 15 2.705 -13.997 10.926 1.00 1.40 H new ATOM 0 HG1 THR A 15 4.878 -14.805 10.645 1.00 1.55 H new ATOM 0 HG21 THR A 15 3.105 -15.934 9.463 1.00 1.73 H new ATOM 0 HG22 THR A 15 1.773 -14.920 8.859 1.00 1.73 H new ATOM 0 HG23 THR A 15 3.375 -14.838 8.087 1.00 1.73 H new ATOM 199 N VAL A 16 1.047 -12.783 7.870 1.00 0.57 N ATOM 200 CA VAL A 16 -0.335 -12.699 7.433 1.00 0.64 C ATOM 201 C VAL A 16 -0.825 -14.025 6.874 1.00 0.59 C ATOM 202 O VAL A 16 -0.042 -14.831 6.374 1.00 0.59 O ATOM 203 CB VAL A 16 -0.509 -11.610 6.355 1.00 0.64 C ATOM 204 CG1 VAL A 16 0.256 -10.367 6.762 1.00 0.78 C ATOM 205 CG2 VAL A 16 -0.065 -12.087 4.982 1.00 0.63 C ATOM 0 H VAL A 16 1.697 -13.112 7.156 1.00 0.57 H new ATOM 0 HA VAL A 16 -0.928 -12.442 8.311 1.00 0.64 H new ATOM 0 HB VAL A 16 -1.571 -11.377 6.280 1.00 0.64 H new ATOM 0 HG11 VAL A 16 0.133 -9.598 6.000 1.00 0.78 H new ATOM 0 HG12 VAL A 16 -0.127 -9.999 7.714 1.00 0.78 H new ATOM 0 HG13 VAL A 16 1.314 -10.608 6.866 1.00 0.78 H new ATOM 0 HG21 VAL A 16 -0.206 -11.287 4.256 1.00 0.63 H new ATOM 0 HG22 VAL A 16 0.989 -12.364 5.016 1.00 0.63 H new ATOM 0 HG23 VAL A 16 -0.659 -12.953 4.688 1.00 0.63 H new ATOM 215 N ALA A 17 -2.115 -14.257 6.998 1.00 0.63 N ATOM 216 CA ALA A 17 -2.768 -15.332 6.288 1.00 0.60 C ATOM 217 C ALA A 17 -3.575 -14.735 5.159 1.00 0.55 C ATOM 218 O ALA A 17 -4.282 -13.749 5.365 1.00 0.76 O ATOM 219 CB ALA A 17 -3.675 -16.106 7.219 1.00 0.75 C ATOM 0 H ALA A 17 -2.736 -13.707 7.591 1.00 0.63 H new ATOM 0 HA ALA A 17 -2.021 -16.020 5.894 1.00 0.60 H new ATOM 0 HB1 ALA A 17 -4.159 -16.912 6.668 1.00 0.75 H new ATOM 0 HB2 ALA A 17 -3.086 -16.526 8.034 1.00 0.75 H new ATOM 0 HB3 ALA A 17 -4.434 -15.438 7.626 1.00 0.75 H new ATOM 225 N VAL A 18 -3.451 -15.284 3.967 1.00 0.54 N ATOM 226 CA VAL A 18 -4.232 -14.792 2.848 1.00 0.50 C ATOM 227 C VAL A 18 -5.283 -15.822 2.457 1.00 0.49 C ATOM 228 O VAL A 18 -5.892 -16.459 3.319 1.00 0.59 O ATOM 229 CB VAL A 18 -3.359 -14.456 1.620 1.00 0.58 C ATOM 230 CG1 VAL A 18 -4.010 -13.359 0.787 1.00 1.23 C ATOM 231 CG2 VAL A 18 -1.954 -14.060 2.034 1.00 1.12 C ATOM 0 H VAL A 18 -2.826 -16.060 3.749 1.00 0.54 H new ATOM 0 HA VAL A 18 -4.711 -13.868 3.173 1.00 0.50 H new ATOM 0 HB VAL A 18 -3.280 -15.354 1.007 1.00 0.58 H new ATOM 0 HG11 VAL A 18 -3.381 -13.135 -0.075 1.00 1.23 H new ATOM 0 HG12 VAL A 18 -4.989 -13.695 0.444 1.00 1.23 H new ATOM 0 HG13 VAL A 18 -4.127 -12.462 1.395 1.00 1.23 H new ATOM 0 HG21 VAL A 18 -1.365 -13.830 1.147 1.00 1.12 H new ATOM 0 HG22 VAL A 18 -1.998 -13.182 2.678 1.00 1.12 H new ATOM 0 HG23 VAL A 18 -1.488 -14.884 2.575 1.00 1.12 H new ATOM 241 N GLY A 19 -5.501 -15.972 1.163 1.00 0.52 N ATOM 242 CA GLY A 19 -6.514 -16.885 0.680 1.00 0.55 C ATOM 243 C GLY A 19 -7.662 -16.133 0.054 1.00 0.59 C ATOM 244 O GLY A 19 -8.069 -16.426 -1.071 1.00 0.71 O ATOM 0 H GLY A 19 -4.991 -15.475 0.433 1.00 0.52 H new ATOM 0 HA2 GLY A 19 -6.077 -17.565 -0.052 1.00 0.55 H new ATOM 0 HA3 GLY A 19 -6.881 -17.497 1.504 1.00 0.55 H new ATOM 248 N GLU A 20 -8.181 -15.154 0.785 1.00 0.57 N ATOM 249 CA GLU A 20 -9.214 -14.277 0.259 1.00 0.64 C ATOM 250 C GLU A 20 -8.565 -13.103 -0.456 1.00 0.50 C ATOM 251 O GLU A 20 -8.602 -13.004 -1.680 1.00 0.50 O ATOM 252 CB GLU A 20 -10.095 -13.727 1.379 1.00 0.76 C ATOM 253 CG GLU A 20 -10.498 -14.742 2.427 1.00 0.96 C ATOM 254 CD GLU A 20 -11.219 -14.082 3.578 1.00 1.55 C ATOM 255 OE1 GLU A 20 -12.432 -13.809 3.447 1.00 1.75 O ATOM 256 OE2 GLU A 20 -10.570 -13.806 4.604 1.00 2.35 O ATOM 0 H GLU A 20 -7.902 -14.949 1.744 1.00 0.57 H new ATOM 0 HA GLU A 20 -9.830 -14.858 -0.427 1.00 0.64 H new ATOM 0 HB2 GLU A 20 -9.566 -12.910 1.870 1.00 0.76 H new ATOM 0 HB3 GLU A 20 -10.997 -13.304 0.938 1.00 0.76 H new ATOM 0 HG2 GLU A 20 -11.142 -15.498 1.977 1.00 0.96 H new ATOM 0 HG3 GLU A 20 -9.612 -15.258 2.797 1.00 0.96 H new ATOM 263 N LEU A 21 -7.966 -12.221 0.335 1.00 0.45 N ATOM 264 CA LEU A 21 -7.352 -11.019 -0.175 1.00 0.32 C ATOM 265 C LEU A 21 -6.364 -10.474 0.857 1.00 0.38 C ATOM 266 O LEU A 21 -6.661 -10.455 2.053 1.00 0.64 O ATOM 267 CB LEU A 21 -8.449 -9.984 -0.418 1.00 0.39 C ATOM 268 CG LEU A 21 -8.272 -9.059 -1.633 1.00 0.44 C ATOM 269 CD1 LEU A 21 -9.303 -7.943 -1.604 1.00 0.56 C ATOM 270 CD2 LEU A 21 -6.868 -8.482 -1.706 1.00 0.71 C ATOM 0 H LEU A 21 -7.897 -12.327 1.347 1.00 0.45 H new ATOM 0 HA LEU A 21 -6.821 -11.233 -1.103 1.00 0.32 H new ATOM 0 HB2 LEU A 21 -9.396 -10.512 -0.528 1.00 0.39 H new ATOM 0 HB3 LEU A 21 -8.533 -9.362 0.473 1.00 0.39 H new ATOM 0 HG LEU A 21 -8.425 -9.661 -2.528 1.00 0.44 H new ATOM 0 HD11 LEU A 21 -9.164 -7.297 -2.471 1.00 0.56 H new ATOM 0 HD12 LEU A 21 -10.305 -8.372 -1.628 1.00 0.56 H new ATOM 0 HD13 LEU A 21 -9.181 -7.358 -0.692 1.00 0.56 H new ATOM 0 HD21 LEU A 21 -6.786 -7.834 -2.579 1.00 0.71 H new ATOM 0 HD22 LEU A 21 -6.665 -7.904 -0.805 1.00 0.71 H new ATOM 0 HD23 LEU A 21 -6.145 -9.294 -1.787 1.00 0.71 H new ATOM 282 N VAL A 22 -5.193 -10.048 0.407 1.00 0.27 N ATOM 283 CA VAL A 22 -4.264 -9.358 1.279 1.00 0.28 C ATOM 284 C VAL A 22 -4.212 -7.876 0.886 1.00 0.30 C ATOM 285 O VAL A 22 -3.863 -7.520 -0.242 1.00 0.37 O ATOM 286 CB VAL A 22 -2.858 -10.034 1.274 1.00 0.28 C ATOM 287 CG1 VAL A 22 -1.728 -9.046 1.000 1.00 0.40 C ATOM 288 CG2 VAL A 22 -2.624 -10.727 2.602 1.00 0.38 C ATOM 0 H VAL A 22 -4.868 -10.169 -0.552 1.00 0.27 H new ATOM 0 HA VAL A 22 -4.615 -9.426 2.309 1.00 0.28 H new ATOM 0 HB VAL A 22 -2.851 -10.759 0.460 1.00 0.28 H new ATOM 0 HG11 VAL A 22 -0.774 -9.573 1.009 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -1.878 -8.583 0.025 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -1.724 -8.275 1.771 1.00 0.40 H new ATOM 0 HG21 VAL A 22 -1.642 -11.199 2.598 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -2.671 -9.995 3.408 1.00 0.38 H new ATOM 0 HG23 VAL A 22 -3.391 -11.486 2.756 1.00 0.38 H new ATOM 298 N GLU A 23 -4.618 -7.016 1.808 1.00 0.29 N ATOM 299 CA GLU A 23 -4.738 -5.599 1.513 1.00 0.36 C ATOM 300 C GLU A 23 -3.607 -4.791 2.110 1.00 0.27 C ATOM 301 O GLU A 23 -3.171 -5.032 3.238 1.00 0.37 O ATOM 302 CB GLU A 23 -6.047 -5.026 2.043 1.00 0.58 C ATOM 303 CG GLU A 23 -7.280 -5.431 1.262 1.00 0.96 C ATOM 304 CD GLU A 23 -8.490 -4.621 1.681 1.00 0.99 C ATOM 305 OE1 GLU A 23 -8.477 -3.391 1.516 1.00 1.06 O ATOM 306 OE2 GLU A 23 -9.476 -5.226 2.174 1.00 1.09 O ATOM 0 H GLU A 23 -4.869 -7.274 2.762 1.00 0.29 H new ATOM 0 HA GLU A 23 -4.705 -5.524 0.426 1.00 0.36 H new ATOM 0 HB2 GLU A 23 -6.171 -5.340 3.079 1.00 0.58 H new ATOM 0 HB3 GLU A 23 -5.977 -3.938 2.045 1.00 0.58 H new ATOM 0 HG2 GLU A 23 -7.099 -5.293 0.196 1.00 0.96 H new ATOM 0 HG3 GLU A 23 -7.479 -6.491 1.417 1.00 0.96 H new ATOM 313 N ILE A 24 -3.154 -3.828 1.337 1.00 0.25 N ATOM 314 CA ILE A 24 -2.253 -2.799 1.808 1.00 0.24 C ATOM 315 C ILE A 24 -2.832 -1.453 1.409 1.00 0.29 C ATOM 316 O ILE A 24 -2.718 -1.045 0.264 1.00 0.54 O ATOM 317 CB ILE A 24 -0.850 -2.943 1.178 1.00 0.27 C ATOM 318 CG1 ILE A 24 -0.280 -4.346 1.412 1.00 0.26 C ATOM 319 CG2 ILE A 24 0.085 -1.887 1.744 1.00 0.32 C ATOM 320 CD1 ILE A 24 -0.052 -4.667 2.868 1.00 0.27 C ATOM 0 H ILE A 24 -3.404 -3.737 0.352 1.00 0.25 H new ATOM 0 HA ILE A 24 -2.149 -2.888 2.889 1.00 0.24 H new ATOM 0 HB ILE A 24 -0.941 -2.796 0.102 1.00 0.27 H new ATOM 0 HG12 ILE A 24 -0.963 -5.082 0.988 1.00 0.26 H new ATOM 0 HG13 ILE A 24 0.664 -4.440 0.875 1.00 0.26 H new ATOM 0 HG21 ILE A 24 1.072 -1.996 1.294 1.00 0.32 H new ATOM 0 HG22 ILE A 24 -0.308 -0.895 1.520 1.00 0.32 H new ATOM 0 HG23 ILE A 24 0.163 -2.011 2.824 1.00 0.32 H new ATOM 0 HD11 ILE A 24 0.352 -5.675 2.959 1.00 0.27 H new ATOM 0 HD12 ILE A 24 0.654 -3.953 3.292 1.00 0.27 H new ATOM 0 HD13 ILE A 24 -0.998 -4.605 3.407 1.00 0.27 H new ATOM 332 N GLN A 25 -3.452 -0.757 2.335 1.00 0.21 N ATOM 333 CA GLN A 25 -4.147 0.469 2.003 1.00 0.22 C ATOM 334 C GLN A 25 -3.482 1.673 2.643 1.00 0.20 C ATOM 335 O GLN A 25 -3.068 1.637 3.802 1.00 0.23 O ATOM 336 CB GLN A 25 -5.622 0.374 2.406 1.00 0.27 C ATOM 337 CG GLN A 25 -6.326 1.711 2.460 1.00 0.29 C ATOM 338 CD GLN A 25 -6.570 2.204 3.876 1.00 0.36 C ATOM 339 OE1 GLN A 25 -7.606 1.920 4.464 1.00 0.64 O ATOM 340 NE2 GLN A 25 -5.617 2.933 4.431 1.00 0.30 N ATOM 0 H GLN A 25 -3.490 -1.016 3.321 1.00 0.21 H new ATOM 0 HA GLN A 25 -4.095 0.605 0.923 1.00 0.22 H new ATOM 0 HB2 GLN A 25 -6.142 -0.272 1.698 1.00 0.27 H new ATOM 0 HB3 GLN A 25 -5.692 -0.103 3.384 1.00 0.27 H new ATOM 0 HG2 GLN A 25 -5.731 2.449 1.923 1.00 0.29 H new ATOM 0 HG3 GLN A 25 -7.281 1.632 1.940 1.00 0.29 H new ATOM 0 HE21 GLN A 25 -4.769 3.147 3.907 1.00 0.30 H new ATOM 0 HE22 GLN A 25 -5.730 3.281 5.383 1.00 0.30 H new ATOM 349 N LEU A 26 -3.384 2.742 1.877 1.00 0.19 N ATOM 350 CA LEU A 26 -2.906 3.998 2.396 1.00 0.18 C ATOM 351 C LEU A 26 -4.030 5.023 2.348 1.00 0.22 C ATOM 352 O LEU A 26 -4.893 4.961 1.475 1.00 0.31 O ATOM 353 CB LEU A 26 -1.686 4.509 1.617 1.00 0.22 C ATOM 354 CG LEU A 26 -0.318 3.966 2.061 1.00 0.28 C ATOM 355 CD1 LEU A 26 -0.045 4.285 3.526 1.00 0.77 C ATOM 356 CD2 LEU A 26 -0.209 2.470 1.808 1.00 0.85 C ATOM 0 H LEU A 26 -3.632 2.760 0.888 1.00 0.19 H new ATOM 0 HA LEU A 26 -2.590 3.844 3.428 1.00 0.18 H new ATOM 0 HB2 LEU A 26 -1.826 4.265 0.564 1.00 0.22 H new ATOM 0 HB3 LEU A 26 -1.663 5.596 1.692 1.00 0.22 H new ATOM 0 HG LEU A 26 0.441 4.466 1.460 1.00 0.28 H new ATOM 0 HD11 LEU A 26 0.930 3.888 3.809 1.00 0.77 H new ATOM 0 HD12 LEU A 26 -0.053 5.365 3.671 1.00 0.77 H new ATOM 0 HD13 LEU A 26 -0.817 3.830 4.147 1.00 0.77 H new ATOM 0 HD21 LEU A 26 0.770 2.116 2.133 1.00 0.85 H new ATOM 0 HD22 LEU A 26 -0.987 1.949 2.366 1.00 0.85 H new ATOM 0 HD23 LEU A 26 -0.332 2.271 0.743 1.00 0.85 H new ATOM 368 N PRO A 27 -4.058 5.967 3.293 1.00 0.21 N ATOM 369 CA PRO A 27 -5.052 7.038 3.311 1.00 0.25 C ATOM 370 C PRO A 27 -4.579 8.225 2.502 1.00 0.26 C ATOM 371 O PRO A 27 -5.099 9.330 2.640 1.00 0.35 O ATOM 372 CB PRO A 27 -5.081 7.422 4.769 1.00 0.27 C ATOM 373 CG PRO A 27 -3.630 7.331 5.131 1.00 0.25 C ATOM 374 CD PRO A 27 -3.136 6.085 4.440 1.00 0.22 C ATOM 0 HA PRO A 27 -6.014 6.735 2.897 1.00 0.25 H new ATOM 0 HB2 PRO A 27 -5.480 8.425 4.921 1.00 0.27 H new ATOM 0 HB3 PRO A 27 -5.695 6.742 5.360 1.00 0.27 H new ATOM 0 HG2 PRO A 27 -3.083 8.212 4.796 1.00 0.25 H new ATOM 0 HG3 PRO A 27 -3.495 7.264 6.211 1.00 0.25 H new ATOM 0 HD2 PRO A 27 -2.099 6.184 4.118 1.00 0.22 H new ATOM 0 HD3 PRO A 27 -3.186 5.213 5.092 1.00 0.22 H new ATOM 382 N SER A 28 -3.531 7.988 1.723 1.00 0.22 N ATOM 383 CA SER A 28 -2.932 8.991 0.858 1.00 0.25 C ATOM 384 C SER A 28 -2.182 10.057 1.655 1.00 0.25 C ATOM 385 O SER A 28 -1.014 10.306 1.396 1.00 0.31 O ATOM 386 CB SER A 28 -4.001 9.622 -0.040 1.00 0.35 C ATOM 387 OG SER A 28 -4.894 8.637 -0.516 1.00 0.91 O ATOM 0 H SER A 28 -3.068 7.080 1.675 1.00 0.22 H new ATOM 0 HA SER A 28 -2.196 8.492 0.227 1.00 0.25 H new ATOM 0 HB2 SER A 28 -4.551 10.380 0.518 1.00 0.35 H new ATOM 0 HB3 SER A 28 -3.526 10.127 -0.881 1.00 0.35 H new ATOM 0 HG SER A 28 -5.542 9.050 -1.125 1.00 0.91 H new ATOM 393 N ASN A 29 -2.828 10.613 2.662 1.00 0.29 N ATOM 394 CA ASN A 29 -2.286 11.747 3.419 1.00 0.36 C ATOM 395 C ASN A 29 -1.987 12.878 2.446 1.00 0.42 C ATOM 396 O ASN A 29 -0.835 13.278 2.280 1.00 0.48 O ATOM 397 CB ASN A 29 -0.992 11.397 4.167 1.00 0.42 C ATOM 398 CG ASN A 29 -0.924 9.969 4.664 1.00 0.60 C ATOM 399 OD1 ASN A 29 -1.406 9.633 5.746 1.00 1.39 O ATOM 400 ND2 ASN A 29 -0.284 9.123 3.878 1.00 0.39 N ATOM 0 H ASN A 29 -3.743 10.299 2.985 1.00 0.29 H new ATOM 0 HA ASN A 29 -3.031 12.033 4.162 1.00 0.36 H new ATOM 0 HB2 ASN A 29 -0.144 11.580 3.507 1.00 0.42 H new ATOM 0 HB3 ASN A 29 -0.885 12.070 5.017 1.00 0.42 H new ATOM 0 HD21 ASN A 29 -0.174 8.149 4.160 1.00 0.39 H new ATOM 0 HD22 ASN A 29 0.100 9.444 2.989 1.00 0.39 H new ATOM 407 N PRO A 30 -3.036 13.394 1.792 1.00 0.55 N ATOM 408 CA PRO A 30 -2.915 14.313 0.652 1.00 0.66 C ATOM 409 C PRO A 30 -2.035 15.517 0.938 1.00 0.72 C ATOM 410 O PRO A 30 -2.430 16.451 1.636 1.00 0.82 O ATOM 411 CB PRO A 30 -4.358 14.742 0.401 1.00 0.83 C ATOM 412 CG PRO A 30 -5.151 13.594 0.900 1.00 0.82 C ATOM 413 CD PRO A 30 -4.443 13.141 2.129 1.00 0.75 C ATOM 0 HA PRO A 30 -2.436 13.834 -0.202 1.00 0.66 H new ATOM 0 HB2 PRO A 30 -4.602 15.661 0.934 1.00 0.83 H new ATOM 0 HB3 PRO A 30 -4.543 14.928 -0.657 1.00 0.83 H new ATOM 0 HG2 PRO A 30 -6.177 13.889 1.122 1.00 0.82 H new ATOM 0 HG3 PRO A 30 -5.202 12.797 0.158 1.00 0.82 H new ATOM 0 HD2 PRO A 30 -4.757 13.702 3.009 1.00 0.75 H new ATOM 0 HD3 PRO A 30 -4.628 12.088 2.340 1.00 0.75 H new ATOM 421 N THR A 31 -0.835 15.471 0.396 1.00 0.73 N ATOM 422 CA THR A 31 0.120 16.551 0.547 1.00 0.84 C ATOM 423 C THR A 31 0.159 17.428 -0.704 1.00 1.10 C ATOM 424 O THR A 31 0.038 18.652 -0.621 1.00 1.83 O ATOM 425 CB THR A 31 1.532 16.002 0.870 1.00 0.96 C ATOM 426 OG1 THR A 31 2.542 16.885 0.368 1.00 1.60 O ATOM 427 CG2 THR A 31 1.733 14.598 0.304 1.00 0.81 C ATOM 0 H THR A 31 -0.495 14.687 -0.160 1.00 0.73 H new ATOM 0 HA THR A 31 -0.206 17.167 1.385 1.00 0.84 H new ATOM 0 HB THR A 31 1.619 15.942 1.955 1.00 0.96 H new ATOM 0 HG1 THR A 31 3.428 16.524 0.582 1.00 1.60 H new ATOM 0 HG21 THR A 31 2.735 14.246 0.551 1.00 0.81 H new ATOM 0 HG22 THR A 31 0.995 13.922 0.736 1.00 0.81 H new ATOM 0 HG23 THR A 31 1.613 14.622 -0.779 1.00 0.81 H new ATOM 435 N THR A 32 0.295 16.798 -1.861 1.00 1.19 N ATOM 436 CA THR A 32 0.397 17.517 -3.121 1.00 1.43 C ATOM 437 C THR A 32 0.162 16.543 -4.283 1.00 1.47 C ATOM 438 O THR A 32 -0.616 15.600 -4.138 1.00 2.05 O ATOM 439 CB THR A 32 1.776 18.226 -3.232 1.00 1.62 C ATOM 440 OG1 THR A 32 1.837 19.041 -4.409 1.00 2.36 O ATOM 441 CG2 THR A 32 2.923 17.226 -3.241 1.00 1.32 C ATOM 0 H THR A 32 0.337 15.783 -1.953 1.00 1.19 H new ATOM 0 HA THR A 32 -0.368 18.293 -3.164 1.00 1.43 H new ATOM 0 HB THR A 32 1.882 18.860 -2.352 1.00 1.62 H new ATOM 0 HG1 THR A 32 2.712 19.479 -4.458 1.00 2.36 H new ATOM 0 HG21 THR A 32 3.870 17.760 -3.320 1.00 1.32 H new ATOM 0 HG22 THR A 32 2.908 16.647 -2.318 1.00 1.32 H new ATOM 0 HG23 THR A 32 2.813 16.554 -4.092 1.00 1.32 H new ATOM 449 N GLY A 33 0.812 16.775 -5.426 1.00 1.30 N ATOM 450 CA GLY A 33 0.711 15.865 -6.561 1.00 1.26 C ATOM 451 C GLY A 33 1.107 14.444 -6.207 1.00 1.01 C ATOM 452 O GLY A 33 0.758 13.499 -6.914 1.00 1.27 O ATOM 0 H GLY A 33 1.412 17.584 -5.586 1.00 1.30 H new ATOM 0 HA2 GLY A 33 -0.312 15.870 -6.936 1.00 1.26 H new ATOM 0 HA3 GLY A 33 1.348 16.225 -7.369 1.00 1.26 H new ATOM 456 N PHE A 34 1.898 14.321 -5.145 1.00 0.86 N ATOM 457 CA PHE A 34 2.202 13.043 -4.511 1.00 0.88 C ATOM 458 C PHE A 34 1.033 12.067 -4.514 1.00 0.79 C ATOM 459 O PHE A 34 -0.116 12.435 -4.267 1.00 1.11 O ATOM 460 CB PHE A 34 2.626 13.281 -3.067 1.00 1.25 C ATOM 461 CG PHE A 34 4.062 13.656 -2.904 1.00 1.50 C ATOM 462 CD1 PHE A 34 4.745 14.314 -3.912 1.00 1.69 C ATOM 463 CD2 PHE A 34 4.732 13.338 -1.740 1.00 1.95 C ATOM 464 CE1 PHE A 34 6.070 14.646 -3.760 1.00 1.94 C ATOM 465 CE2 PHE A 34 6.056 13.667 -1.583 1.00 2.22 C ATOM 466 CZ PHE A 34 6.728 14.321 -2.596 1.00 2.08 C ATOM 0 H PHE A 34 2.351 15.116 -4.695 1.00 0.86 H new ATOM 0 HA PHE A 34 3.003 12.594 -5.098 1.00 0.88 H new ATOM 0 HB2 PHE A 34 2.006 14.071 -2.644 1.00 1.25 H new ATOM 0 HB3 PHE A 34 2.430 12.378 -2.489 1.00 1.25 H new ATOM 0 HD1 PHE A 34 4.232 14.569 -4.827 1.00 1.69 H new ATOM 0 HD2 PHE A 34 4.210 12.826 -0.945 1.00 1.95 H new ATOM 0 HE1 PHE A 34 6.593 15.161 -4.552 1.00 1.94 H new ATOM 0 HE2 PHE A 34 6.571 13.414 -0.668 1.00 2.22 H new ATOM 0 HZ PHE A 34 7.770 14.578 -2.475 1.00 2.08 H new ATOM 476 N ALA A 35 1.366 10.822 -4.791 1.00 0.44 N ATOM 477 CA ALA A 35 0.443 9.715 -4.682 1.00 0.37 C ATOM 478 C ALA A 35 1.229 8.462 -4.288 1.00 0.30 C ATOM 479 O ALA A 35 2.416 8.345 -4.630 1.00 0.30 O ATOM 480 CB ALA A 35 -0.279 9.510 -6.005 1.00 0.44 C ATOM 0 H ALA A 35 2.298 10.549 -5.102 1.00 0.44 H new ATOM 0 HA ALA A 35 -0.308 9.923 -3.920 1.00 0.37 H new ATOM 0 HB1 ALA A 35 -0.973 8.674 -5.915 1.00 0.44 H new ATOM 0 HB2 ALA A 35 -0.831 10.414 -6.262 1.00 0.44 H new ATOM 0 HB3 ALA A 35 0.449 9.295 -6.787 1.00 0.44 H new ATOM 486 N TRP A 36 0.606 7.549 -3.547 1.00 0.26 N ATOM 487 CA TRP A 36 1.310 6.354 -3.090 1.00 0.21 C ATOM 488 C TRP A 36 1.381 5.313 -4.197 1.00 0.27 C ATOM 489 O TRP A 36 0.364 4.755 -4.610 1.00 0.43 O ATOM 490 CB TRP A 36 0.669 5.694 -1.856 1.00 0.20 C ATOM 491 CG TRP A 36 0.711 6.482 -0.584 1.00 0.18 C ATOM 492 CD1 TRP A 36 -0.242 7.327 -0.094 1.00 0.22 C ATOM 493 CD2 TRP A 36 1.752 6.441 0.395 1.00 0.15 C ATOM 494 NE1 TRP A 36 0.141 7.802 1.132 1.00 0.21 N ATOM 495 CE2 TRP A 36 1.361 7.280 1.454 1.00 0.17 C ATOM 496 CE3 TRP A 36 2.978 5.777 0.479 1.00 0.13 C ATOM 497 CZ2 TRP A 36 2.145 7.467 2.586 1.00 0.16 C ATOM 498 CZ3 TRP A 36 3.761 5.968 1.599 1.00 0.13 C ATOM 499 CH2 TRP A 36 3.341 6.803 2.646 1.00 0.14 C ATOM 0 H TRP A 36 -0.369 7.611 -3.254 1.00 0.26 H new ATOM 0 HA TRP A 36 2.306 6.699 -2.811 1.00 0.21 H new ATOM 0 HB2 TRP A 36 -0.373 5.475 -2.088 1.00 0.20 H new ATOM 0 HB3 TRP A 36 1.165 4.739 -1.683 1.00 0.20 H new ATOM 0 HD1 TRP A 36 -1.162 7.583 -0.598 1.00 0.22 H new ATOM 0 HE1 TRP A 36 -0.399 8.444 1.712 1.00 0.21 H new ATOM 0 HE3 TRP A 36 3.307 5.126 -0.318 1.00 0.13 H new ATOM 0 HZ2 TRP A 36 1.823 8.113 3.389 1.00 0.16 H new ATOM 0 HZ3 TRP A 36 4.714 5.466 1.671 1.00 0.13 H new ATOM 0 HH2 TRP A 36 3.972 6.924 3.514 1.00 0.14 H new ATOM 510 N TYR A 37 2.584 5.063 -4.679 1.00 0.27 N ATOM 511 CA TYR A 37 2.833 3.948 -5.579 1.00 0.34 C ATOM 512 C TYR A 37 3.828 3.015 -4.923 1.00 0.39 C ATOM 513 O TYR A 37 4.244 3.273 -3.811 1.00 0.78 O ATOM 514 CB TYR A 37 3.375 4.427 -6.923 1.00 0.53 C ATOM 515 CG TYR A 37 2.323 5.010 -7.831 1.00 0.61 C ATOM 516 CD1 TYR A 37 2.011 6.360 -7.772 1.00 0.90 C ATOM 517 CD2 TYR A 37 1.641 4.213 -8.742 1.00 1.42 C ATOM 518 CE1 TYR A 37 1.043 6.904 -8.598 1.00 1.47 C ATOM 519 CE2 TYR A 37 0.675 4.746 -9.571 1.00 2.10 C ATOM 520 CZ TYR A 37 0.386 6.076 -9.515 1.00 2.04 C ATOM 521 OH TYR A 37 -0.589 6.622 -10.322 1.00 2.78 O ATOM 0 H TYR A 37 3.410 5.620 -4.462 1.00 0.27 H new ATOM 0 HA TYR A 37 1.893 3.430 -5.771 1.00 0.34 H new ATOM 0 HB2 TYR A 37 4.146 5.177 -6.747 1.00 0.53 H new ATOM 0 HB3 TYR A 37 3.855 3.590 -7.430 1.00 0.53 H new ATOM 0 HD1 TYR A 37 2.531 6.996 -7.071 1.00 0.90 H new ATOM 0 HD2 TYR A 37 1.871 3.159 -8.802 1.00 1.42 H new ATOM 0 HE1 TYR A 37 0.798 7.954 -8.536 1.00 1.47 H new ATOM 0 HE2 TYR A 37 0.148 4.108 -10.265 1.00 2.10 H new ATOM 0 HH TYR A 37 -0.956 5.927 -10.908 1.00 2.78 H new ATOM 531 N PHE A 38 4.191 1.928 -5.575 1.00 0.26 N ATOM 532 CA PHE A 38 5.291 1.110 -5.083 1.00 0.25 C ATOM 533 C PHE A 38 6.606 1.855 -5.268 1.00 0.32 C ATOM 534 O PHE A 38 7.131 2.446 -4.330 1.00 0.38 O ATOM 535 CB PHE A 38 5.363 -0.220 -5.811 1.00 0.27 C ATOM 536 CG PHE A 38 4.924 -1.402 -4.991 1.00 0.26 C ATOM 537 CD1 PHE A 38 5.767 -1.962 -4.042 1.00 0.33 C ATOM 538 CD2 PHE A 38 3.667 -1.956 -5.172 1.00 0.33 C ATOM 539 CE1 PHE A 38 5.363 -3.051 -3.291 1.00 0.41 C ATOM 540 CE2 PHE A 38 3.258 -3.044 -4.425 1.00 0.41 C ATOM 541 CZ PHE A 38 4.107 -3.593 -3.484 1.00 0.43 C ATOM 0 H PHE A 38 3.752 1.592 -6.432 1.00 0.26 H new ATOM 0 HA PHE A 38 5.116 0.913 -4.025 1.00 0.25 H new ATOM 0 HB2 PHE A 38 4.744 -0.164 -6.706 1.00 0.27 H new ATOM 0 HB3 PHE A 38 6.388 -0.384 -6.142 1.00 0.27 H new ATOM 0 HD1 PHE A 38 6.750 -1.543 -3.888 1.00 0.33 H new ATOM 0 HD2 PHE A 38 2.998 -1.532 -5.906 1.00 0.33 H new ATOM 0 HE1 PHE A 38 6.028 -3.477 -2.555 1.00 0.41 H new ATOM 0 HE2 PHE A 38 2.275 -3.465 -4.577 1.00 0.41 H new ATOM 0 HZ PHE A 38 3.790 -4.444 -2.900 1.00 0.43 H new ATOM 551 N GLU A 39 7.117 1.842 -6.490 1.00 0.40 N ATOM 552 CA GLU A 39 8.334 2.573 -6.817 1.00 0.51 C ATOM 553 C GLU A 39 7.989 3.810 -7.636 1.00 0.51 C ATOM 554 O GLU A 39 8.872 4.549 -8.079 1.00 0.61 O ATOM 555 CB GLU A 39 9.303 1.685 -7.601 1.00 0.61 C ATOM 556 CG GLU A 39 9.675 0.398 -6.882 1.00 1.11 C ATOM 557 CD GLU A 39 10.336 0.643 -5.539 1.00 1.75 C ATOM 558 OE1 GLU A 39 11.456 1.188 -5.511 1.00 2.39 O ATOM 559 OE2 GLU A 39 9.722 0.315 -4.499 1.00 2.19 O ATOM 0 H GLU A 39 6.708 1.333 -7.273 1.00 0.40 H new ATOM 0 HA GLU A 39 8.816 2.877 -5.888 1.00 0.51 H new ATOM 0 HB2 GLU A 39 8.856 1.436 -8.563 1.00 0.61 H new ATOM 0 HB3 GLU A 39 10.212 2.250 -7.809 1.00 0.61 H new ATOM 0 HG2 GLU A 39 8.778 -0.203 -6.735 1.00 1.11 H new ATOM 0 HG3 GLU A 39 10.348 -0.183 -7.512 1.00 1.11 H new ATOM 566 N GLY A 40 6.692 4.030 -7.821 1.00 0.51 N ATOM 567 CA GLY A 40 6.230 5.125 -8.650 1.00 0.55 C ATOM 568 C GLY A 40 6.067 4.698 -10.088 1.00 0.56 C ATOM 569 O GLY A 40 7.045 4.386 -10.757 1.00 0.73 O ATOM 0 H GLY A 40 5.949 3.465 -7.409 1.00 0.51 H new ATOM 0 HA2 GLY A 40 5.278 5.495 -8.269 1.00 0.55 H new ATOM 0 HA3 GLY A 40 6.939 5.951 -8.593 1.00 0.55 H new ATOM 573 N GLY A 41 4.828 4.658 -10.556 1.00 0.55 N ATOM 574 CA GLY A 41 4.565 4.210 -11.911 1.00 0.70 C ATOM 575 C GLY A 41 4.426 2.702 -12.000 1.00 0.61 C ATOM 576 O GLY A 41 3.858 2.177 -12.955 1.00 0.70 O ATOM 0 H GLY A 41 4.000 4.927 -10.024 1.00 0.55 H new ATOM 0 HA2 GLY A 41 3.651 4.679 -12.276 1.00 0.70 H new ATOM 0 HA3 GLY A 41 5.374 4.538 -12.564 1.00 0.70 H new ATOM 580 N THR A 42 4.933 2.006 -10.994 1.00 0.53 N ATOM 581 CA THR A 42 4.859 0.558 -10.949 1.00 0.51 C ATOM 582 C THR A 42 4.295 0.066 -9.641 1.00 0.43 C ATOM 583 O THR A 42 4.526 0.659 -8.585 1.00 0.44 O ATOM 584 CB THR A 42 6.223 -0.111 -11.132 1.00 0.67 C ATOM 585 OG1 THR A 42 7.259 0.717 -10.582 1.00 1.13 O ATOM 586 CG2 THR A 42 6.499 -0.409 -12.595 1.00 0.92 C ATOM 0 H THR A 42 5.403 2.427 -10.193 1.00 0.53 H new ATOM 0 HA THR A 42 4.203 0.287 -11.777 1.00 0.51 H new ATOM 0 HB THR A 42 6.209 -1.060 -10.597 1.00 0.67 H new ATOM 0 HG1 THR A 42 8.127 0.279 -10.703 1.00 1.13 H new ATOM 0 HG21 THR A 42 7.475 -0.884 -12.692 1.00 0.92 H new ATOM 0 HG22 THR A 42 5.730 -1.078 -12.981 1.00 0.92 H new ATOM 0 HG23 THR A 42 6.490 0.521 -13.164 1.00 0.92 H new ATOM 594 N LYS A 43 3.502 -0.980 -9.739 1.00 0.49 N ATOM 595 CA LYS A 43 3.065 -1.732 -8.584 1.00 0.46 C ATOM 596 C LYS A 43 3.026 -3.218 -8.929 1.00 0.55 C ATOM 597 O LYS A 43 2.425 -3.612 -9.930 1.00 0.75 O ATOM 598 CB LYS A 43 1.689 -1.266 -8.101 1.00 0.58 C ATOM 599 CG LYS A 43 0.972 -0.284 -9.019 1.00 1.15 C ATOM 600 CD LYS A 43 0.516 -0.939 -10.313 1.00 1.41 C ATOM 601 CE LYS A 43 -0.160 0.058 -11.236 1.00 1.96 C ATOM 602 NZ LYS A 43 -0.498 -0.552 -12.549 1.00 2.52 N ATOM 0 H LYS A 43 3.142 -1.333 -10.625 1.00 0.49 H new ATOM 0 HA LYS A 43 3.775 -1.562 -7.775 1.00 0.46 H new ATOM 0 HB2 LYS A 43 1.054 -2.142 -7.967 1.00 0.58 H new ATOM 0 HB3 LYS A 43 1.804 -0.803 -7.121 1.00 0.58 H new ATOM 0 HG2 LYS A 43 0.109 0.132 -8.500 1.00 1.15 H new ATOM 0 HG3 LYS A 43 1.637 0.548 -9.249 1.00 1.15 H new ATOM 0 HD2 LYS A 43 1.374 -1.381 -10.820 1.00 1.41 H new ATOM 0 HD3 LYS A 43 -0.174 -1.752 -10.087 1.00 1.41 H new ATOM 0 HE2 LYS A 43 -1.068 0.433 -10.764 1.00 1.96 H new ATOM 0 HE3 LYS A 43 0.496 0.914 -11.390 1.00 1.96 H new ATOM 0 HZ1 LYS A 43 -0.958 0.158 -13.154 1.00 2.52 H new ATOM 0 HZ2 LYS A 43 0.372 -0.888 -13.010 1.00 2.52 H new ATOM 0 HZ3 LYS A 43 -1.144 -1.354 -12.403 1.00 2.52 H new ATOM 616 N GLU A 44 3.669 -4.035 -8.118 1.00 0.48 N ATOM 617 CA GLU A 44 3.676 -5.471 -8.349 1.00 0.60 C ATOM 618 C GLU A 44 3.325 -6.240 -7.082 1.00 0.49 C ATOM 619 O GLU A 44 3.498 -5.747 -5.969 1.00 0.54 O ATOM 620 CB GLU A 44 5.040 -5.938 -8.884 1.00 0.83 C ATOM 621 CG GLU A 44 6.223 -5.611 -7.978 1.00 0.92 C ATOM 622 CD GLU A 44 6.678 -4.169 -8.091 1.00 1.48 C ATOM 623 OE1 GLU A 44 7.484 -3.869 -8.997 1.00 1.80 O ATOM 624 OE2 GLU A 44 6.238 -3.335 -7.278 1.00 2.30 O ATOM 0 H GLU A 44 4.192 -3.733 -7.296 1.00 0.48 H new ATOM 0 HA GLU A 44 2.914 -5.680 -9.100 1.00 0.60 H new ATOM 0 HB2 GLU A 44 5.005 -7.016 -9.039 1.00 0.83 H new ATOM 0 HB3 GLU A 44 5.209 -5.481 -9.859 1.00 0.83 H new ATOM 0 HG2 GLU A 44 5.949 -5.819 -6.944 1.00 0.92 H new ATOM 0 HG3 GLU A 44 7.056 -6.269 -8.226 1.00 0.92 H new ATOM 631 N SER A 45 2.818 -7.444 -7.264 1.00 0.61 N ATOM 632 CA SER A 45 2.518 -8.319 -6.150 1.00 0.55 C ATOM 633 C SER A 45 3.410 -9.555 -6.214 1.00 0.80 C ATOM 634 O SER A 45 3.497 -10.211 -7.250 1.00 1.15 O ATOM 635 CB SER A 45 1.052 -8.735 -6.207 1.00 0.83 C ATOM 636 OG SER A 45 0.691 -9.144 -7.513 1.00 1.61 O ATOM 0 H SER A 45 2.604 -7.839 -8.180 1.00 0.61 H new ATOM 0 HA SER A 45 2.705 -7.791 -5.215 1.00 0.55 H new ATOM 0 HB2 SER A 45 0.874 -9.549 -5.505 1.00 0.83 H new ATOM 0 HB3 SER A 45 0.422 -7.902 -5.896 1.00 0.83 H new ATOM 0 HG SER A 45 -0.040 -9.795 -7.462 1.00 1.61 H new ATOM 642 N PRO A 46 4.107 -9.868 -5.117 1.00 0.85 N ATOM 643 CA PRO A 46 4.918 -11.083 -5.015 1.00 1.17 C ATOM 644 C PRO A 46 4.093 -12.349 -5.235 1.00 1.12 C ATOM 645 O PRO A 46 3.077 -12.554 -4.566 1.00 1.88 O ATOM 646 CB PRO A 46 5.451 -11.041 -3.577 1.00 1.50 C ATOM 647 CG PRO A 46 5.381 -9.606 -3.184 1.00 1.39 C ATOM 648 CD PRO A 46 4.198 -9.036 -3.913 1.00 0.92 C ATOM 0 HA PRO A 46 5.700 -11.112 -5.773 1.00 1.17 H new ATOM 0 HB2 PRO A 46 4.849 -11.662 -2.914 1.00 1.50 H new ATOM 0 HB3 PRO A 46 6.473 -11.416 -3.523 1.00 1.50 H new ATOM 0 HG2 PRO A 46 5.262 -9.502 -2.105 1.00 1.39 H new ATOM 0 HG3 PRO A 46 6.297 -9.082 -3.456 1.00 1.39 H new ATOM 0 HD2 PRO A 46 3.290 -9.096 -3.314 1.00 0.92 H new ATOM 0 HD3 PRO A 46 4.347 -7.985 -4.161 1.00 0.92 H new ATOM 656 N ASN A 47 4.538 -13.166 -6.194 1.00 1.01 N ATOM 657 CA ASN A 47 3.938 -14.474 -6.491 1.00 1.08 C ATOM 658 C ASN A 47 2.645 -14.341 -7.293 1.00 0.97 C ATOM 659 O ASN A 47 1.751 -15.187 -7.197 1.00 1.25 O ATOM 660 CB ASN A 47 3.692 -15.282 -5.212 1.00 1.23 C ATOM 661 CG ASN A 47 4.978 -15.677 -4.513 1.00 1.53 C ATOM 662 OD1 ASN A 47 6.001 -15.922 -5.154 1.00 2.43 O ATOM 663 ND2 ASN A 47 4.944 -15.720 -3.188 1.00 1.23 N ATOM 0 H ASN A 47 5.332 -12.938 -6.792 1.00 1.01 H new ATOM 0 HA ASN A 47 4.658 -15.015 -7.106 1.00 1.08 H new ATOM 0 HB2 ASN A 47 3.078 -14.695 -4.529 1.00 1.23 H new ATOM 0 HB3 ASN A 47 3.126 -16.181 -5.458 1.00 1.23 H new ATOM 0 HD21 ASN A 47 5.785 -15.963 -2.664 1.00 1.23 H new ATOM 0 HD22 ASN A 47 4.077 -15.510 -2.693 1.00 1.23 H new ATOM 670 N GLU A 48 2.555 -13.293 -8.105 1.00 0.86 N ATOM 671 CA GLU A 48 1.386 -13.069 -8.944 1.00 0.93 C ATOM 672 C GLU A 48 1.411 -13.951 -10.205 1.00 0.93 C ATOM 673 O GLU A 48 1.182 -13.483 -11.318 1.00 1.53 O ATOM 674 CB GLU A 48 1.296 -11.586 -9.314 1.00 1.24 C ATOM 675 CG GLU A 48 2.423 -11.083 -10.207 1.00 1.89 C ATOM 676 CD GLU A 48 2.245 -9.630 -10.608 1.00 2.65 C ATOM 677 OE1 GLU A 48 2.610 -8.737 -9.810 1.00 3.26 O ATOM 678 OE2 GLU A 48 1.728 -9.373 -11.718 1.00 2.99 O ATOM 0 H GLU A 48 3.282 -12.583 -8.199 1.00 0.86 H new ATOM 0 HA GLU A 48 0.498 -13.351 -8.378 1.00 0.93 H new ATOM 0 HB2 GLU A 48 0.345 -11.408 -9.817 1.00 1.24 H new ATOM 0 HB3 GLU A 48 1.287 -10.997 -8.397 1.00 1.24 H new ATOM 0 HG2 GLU A 48 3.374 -11.199 -9.686 1.00 1.89 H new ATOM 0 HG3 GLU A 48 2.474 -11.700 -11.104 1.00 1.89 H new ATOM 685 N SER A 49 1.663 -15.238 -10.018 1.00 0.94 N ATOM 686 CA SER A 49 1.751 -16.165 -11.135 1.00 1.13 C ATOM 687 C SER A 49 0.372 -16.704 -11.524 1.00 1.05 C ATOM 688 O SER A 49 0.095 -16.940 -12.700 1.00 1.48 O ATOM 689 CB SER A 49 2.692 -17.311 -10.777 1.00 1.39 C ATOM 690 OG SER A 49 3.980 -16.814 -10.445 1.00 2.06 O ATOM 0 H SER A 49 1.810 -15.664 -9.103 1.00 0.94 H new ATOM 0 HA SER A 49 2.148 -15.629 -11.997 1.00 1.13 H new ATOM 0 HB2 SER A 49 2.286 -17.874 -9.937 1.00 1.39 H new ATOM 0 HB3 SER A 49 2.768 -18.002 -11.616 1.00 1.39 H new ATOM 0 HG SER A 49 4.570 -17.562 -10.216 1.00 2.06 H new ATOM 696 N MET A 50 -0.487 -16.886 -10.532 1.00 0.77 N ATOM 697 CA MET A 50 -1.844 -17.373 -10.757 1.00 0.69 C ATOM 698 C MET A 50 -2.839 -16.406 -10.140 1.00 0.60 C ATOM 699 O MET A 50 -3.952 -16.222 -10.629 1.00 0.66 O ATOM 700 CB MET A 50 -2.032 -18.769 -10.172 1.00 0.68 C ATOM 701 CG MET A 50 -1.881 -18.858 -8.654 1.00 0.66 C ATOM 702 SD MET A 50 -0.221 -18.440 -8.074 1.00 1.25 S ATOM 703 CE MET A 50 -0.412 -18.652 -6.309 1.00 1.10 C ATOM 0 H MET A 50 -0.267 -16.702 -9.553 1.00 0.77 H new ATOM 0 HA MET A 50 -2.016 -17.436 -11.831 1.00 0.69 H new ATOM 0 HB2 MET A 50 -3.023 -19.131 -10.445 1.00 0.68 H new ATOM 0 HB3 MET A 50 -1.309 -19.441 -10.634 1.00 0.68 H new ATOM 0 HG2 MET A 50 -2.602 -18.188 -8.184 1.00 0.66 H new ATOM 0 HG3 MET A 50 -2.127 -19.869 -8.330 1.00 0.66 H new ATOM 0 HE1 MET A 50 0.166 -17.890 -5.786 1.00 1.10 H new ATOM 0 HE2 MET A 50 -1.465 -18.555 -6.043 1.00 1.10 H new ATOM 0 HE3 MET A 50 -0.054 -19.640 -6.020 1.00 1.10 H new ATOM 713 N PHE A 51 -2.398 -15.782 -9.066 1.00 0.52 N ATOM 714 CA PHE A 51 -3.163 -14.763 -8.386 1.00 0.44 C ATOM 715 C PHE A 51 -2.573 -13.413 -8.757 1.00 0.51 C ATOM 716 O PHE A 51 -1.495 -13.363 -9.339 1.00 0.74 O ATOM 717 CB PHE A 51 -3.161 -15.033 -6.879 1.00 0.37 C ATOM 718 CG PHE A 51 -4.412 -15.734 -6.417 1.00 0.38 C ATOM 719 CD1 PHE A 51 -4.815 -16.919 -7.012 1.00 0.60 C ATOM 720 CD2 PHE A 51 -5.191 -15.205 -5.398 1.00 0.40 C ATOM 721 CE1 PHE A 51 -5.967 -17.562 -6.602 1.00 0.73 C ATOM 722 CE2 PHE A 51 -6.343 -15.846 -4.983 1.00 0.49 C ATOM 723 CZ PHE A 51 -6.732 -17.023 -5.586 1.00 0.61 C ATOM 0 H PHE A 51 -1.491 -15.971 -8.639 1.00 0.52 H new ATOM 0 HA PHE A 51 -4.209 -14.771 -8.692 1.00 0.44 H new ATOM 0 HB2 PHE A 51 -2.293 -15.640 -6.623 1.00 0.37 H new ATOM 0 HB3 PHE A 51 -3.059 -14.089 -6.344 1.00 0.37 H new ATOM 0 HD1 PHE A 51 -4.221 -17.345 -7.807 1.00 0.60 H new ATOM 0 HD2 PHE A 51 -4.894 -14.281 -4.924 1.00 0.40 H new ATOM 0 HE1 PHE A 51 -6.269 -18.485 -7.075 1.00 0.73 H new ATOM 0 HE2 PHE A 51 -6.938 -15.425 -4.186 1.00 0.49 H new ATOM 0 HZ PHE A 51 -7.634 -17.523 -5.264 1.00 0.61 H new ATOM 733 N THR A 52 -3.260 -12.325 -8.462 1.00 0.47 N ATOM 734 CA THR A 52 -2.970 -11.079 -9.139 1.00 0.61 C ATOM 735 C THR A 52 -3.230 -9.886 -8.231 1.00 0.49 C ATOM 736 O THR A 52 -3.882 -10.007 -7.190 1.00 0.75 O ATOM 737 CB THR A 52 -3.820 -10.975 -10.424 1.00 1.10 C ATOM 738 OG1 THR A 52 -3.493 -9.787 -11.157 1.00 1.41 O ATOM 739 CG2 THR A 52 -5.310 -10.984 -10.098 1.00 1.46 C ATOM 0 H THR A 52 -4.009 -12.279 -7.771 1.00 0.47 H new ATOM 0 HA THR A 52 -1.913 -11.068 -9.405 1.00 0.61 H new ATOM 0 HB THR A 52 -3.592 -11.845 -11.040 1.00 1.10 H new ATOM 0 HG1 THR A 52 -4.041 -9.742 -11.968 1.00 1.41 H new ATOM 0 HG21 THR A 52 -5.885 -10.910 -11.021 1.00 1.46 H new ATOM 0 HG22 THR A 52 -5.565 -11.912 -9.586 1.00 1.46 H new ATOM 0 HG23 THR A 52 -5.547 -10.137 -9.454 1.00 1.46 H new ATOM 747 N VAL A 53 -2.716 -8.735 -8.630 1.00 0.46 N ATOM 748 CA VAL A 53 -2.802 -7.550 -7.812 1.00 0.44 C ATOM 749 C VAL A 53 -3.769 -6.529 -8.408 1.00 0.49 C ATOM 750 O VAL A 53 -3.979 -6.475 -9.623 1.00 0.76 O ATOM 751 CB VAL A 53 -1.409 -6.913 -7.625 1.00 0.67 C ATOM 752 CG1 VAL A 53 -0.979 -6.113 -8.848 1.00 1.00 C ATOM 753 CG2 VAL A 53 -1.384 -6.069 -6.369 1.00 1.31 C ATOM 0 H VAL A 53 -2.234 -8.602 -9.519 1.00 0.46 H new ATOM 0 HA VAL A 53 -3.186 -7.853 -6.838 1.00 0.44 H new ATOM 0 HB VAL A 53 -0.683 -7.718 -7.512 1.00 0.67 H new ATOM 0 HG11 VAL A 53 0.007 -5.682 -8.673 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -0.939 -6.770 -9.717 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -1.697 -5.313 -9.031 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -0.396 -5.625 -6.248 1.00 1.31 H new ATOM 0 HG22 VAL A 53 -2.130 -5.278 -6.447 1.00 1.31 H new ATOM 0 HG23 VAL A 53 -1.608 -6.695 -5.505 1.00 1.31 H new ATOM 763 N GLU A 54 -4.368 -5.746 -7.535 1.00 0.45 N ATOM 764 CA GLU A 54 -5.230 -4.651 -7.923 1.00 0.52 C ATOM 765 C GLU A 54 -4.737 -3.360 -7.294 1.00 0.46 C ATOM 766 O GLU A 54 -4.233 -3.350 -6.169 1.00 0.59 O ATOM 767 CB GLU A 54 -6.676 -4.926 -7.498 1.00 0.71 C ATOM 768 CG GLU A 54 -7.505 -3.667 -7.288 1.00 1.35 C ATOM 769 CD GLU A 54 -8.908 -3.946 -6.802 1.00 1.86 C ATOM 770 OE1 GLU A 54 -9.086 -4.203 -5.590 1.00 2.18 O ATOM 771 OE2 GLU A 54 -9.845 -3.882 -7.626 1.00 2.45 O ATOM 0 H GLU A 54 -4.268 -5.854 -6.526 1.00 0.45 H new ATOM 0 HA GLU A 54 -5.204 -4.554 -9.008 1.00 0.52 H new ATOM 0 HB2 GLU A 54 -7.157 -5.544 -8.257 1.00 0.71 H new ATOM 0 HB3 GLU A 54 -6.669 -5.504 -6.574 1.00 0.71 H new ATOM 0 HG2 GLU A 54 -7.000 -3.024 -6.567 1.00 1.35 H new ATOM 0 HG3 GLU A 54 -7.557 -3.114 -8.226 1.00 1.35 H new ATOM 778 N ASN A 55 -4.881 -2.276 -8.022 1.00 0.49 N ATOM 779 CA ASN A 55 -4.530 -0.971 -7.505 1.00 0.46 C ATOM 780 C ASN A 55 -5.728 -0.049 -7.600 1.00 0.46 C ATOM 781 O ASN A 55 -6.419 -0.010 -8.617 1.00 0.65 O ATOM 782 CB ASN A 55 -3.328 -0.371 -8.234 1.00 0.62 C ATOM 783 CG ASN A 55 -3.599 -0.026 -9.691 1.00 1.21 C ATOM 784 OD1 ASN A 55 -3.987 1.098 -10.016 1.00 1.84 O ATOM 785 ND2 ASN A 55 -3.384 -0.985 -10.580 1.00 1.93 N ATOM 0 H ASN A 55 -5.240 -2.271 -8.977 1.00 0.49 H new ATOM 0 HA ASN A 55 -4.242 -1.087 -6.460 1.00 0.46 H new ATOM 0 HB2 ASN A 55 -3.011 0.531 -7.710 1.00 0.62 H new ATOM 0 HB3 ASN A 55 -2.498 -1.076 -8.186 1.00 0.62 H new ATOM 0 HD21 ASN A 55 -3.540 -0.805 -11.572 1.00 1.93 H new ATOM 0 HD22 ASN A 55 -3.063 -1.903 -10.272 1.00 1.93 H new ATOM 792 N LYS A 56 -5.988 0.666 -6.523 1.00 0.42 N ATOM 793 CA LYS A 56 -7.164 1.512 -6.441 1.00 0.43 C ATOM 794 C LYS A 56 -6.942 2.644 -5.464 1.00 0.46 C ATOM 795 O LYS A 56 -6.951 2.447 -4.243 1.00 0.53 O ATOM 796 CB LYS A 56 -8.387 0.684 -6.045 1.00 0.55 C ATOM 797 CG LYS A 56 -8.051 -0.609 -5.314 1.00 1.03 C ATOM 798 CD LYS A 56 -8.198 -0.483 -3.807 1.00 0.62 C ATOM 799 CE LYS A 56 -9.590 -0.019 -3.413 1.00 1.26 C ATOM 800 NZ LYS A 56 -10.662 -0.753 -4.146 1.00 1.42 N ATOM 0 H LYS A 56 -5.399 0.678 -5.690 1.00 0.42 H new ATOM 0 HA LYS A 56 -7.346 1.947 -7.424 1.00 0.43 H new ATOM 0 HB2 LYS A 56 -9.033 1.290 -5.410 1.00 0.55 H new ATOM 0 HB3 LYS A 56 -8.956 0.444 -6.943 1.00 0.55 H new ATOM 0 HG2 LYS A 56 -8.703 -1.405 -5.674 1.00 1.03 H new ATOM 0 HG3 LYS A 56 -7.028 -0.902 -5.552 1.00 1.03 H new ATOM 0 HD2 LYS A 56 -7.990 -1.446 -3.340 1.00 0.62 H new ATOM 0 HD3 LYS A 56 -7.459 0.222 -3.427 1.00 0.62 H new ATOM 0 HE2 LYS A 56 -9.726 -0.158 -2.340 1.00 1.26 H new ATOM 0 HE3 LYS A 56 -9.684 1.049 -3.611 1.00 1.26 H new ATOM 0 HZ1 LYS A 56 -11.576 -0.594 -3.675 1.00 1.42 H new ATOM 0 HZ2 LYS A 56 -10.712 -0.407 -5.126 1.00 1.42 H new ATOM 0 HZ3 LYS A 56 -10.447 -1.770 -4.149 1.00 1.42 H new ATOM 814 N TYR A 57 -6.737 3.826 -6.003 1.00 0.48 N ATOM 815 CA TYR A 57 -6.429 4.978 -5.188 1.00 0.56 C ATOM 816 C TYR A 57 -7.471 6.063 -5.375 1.00 0.57 C ATOM 817 O TYR A 57 -7.980 6.265 -6.478 1.00 0.71 O ATOM 818 CB TYR A 57 -5.067 5.553 -5.529 1.00 0.69 C ATOM 819 CG TYR A 57 -4.056 4.564 -6.070 1.00 0.54 C ATOM 820 CD1 TYR A 57 -3.311 3.762 -5.218 1.00 0.61 C ATOM 821 CD2 TYR A 57 -3.834 4.448 -7.437 1.00 0.91 C ATOM 822 CE1 TYR A 57 -2.379 2.871 -5.710 1.00 0.98 C ATOM 823 CE2 TYR A 57 -2.900 3.560 -7.935 1.00 1.19 C ATOM 824 CZ TYR A 57 -2.177 2.774 -7.066 1.00 1.19 C ATOM 825 OH TYR A 57 -1.240 1.890 -7.556 1.00 1.66 O ATOM 0 H TYR A 57 -6.778 4.013 -7.005 1.00 0.48 H new ATOM 0 HA TYR A 57 -6.426 4.640 -4.152 1.00 0.56 H new ATOM 0 HB2 TYR A 57 -5.201 6.347 -6.264 1.00 0.69 H new ATOM 0 HB3 TYR A 57 -4.653 6.015 -4.633 1.00 0.69 H new ATOM 0 HD1 TYR A 57 -3.463 3.836 -4.151 1.00 0.61 H new ATOM 0 HD2 TYR A 57 -4.401 5.062 -8.121 1.00 0.91 H new ATOM 0 HE1 TYR A 57 -1.810 2.252 -5.032 1.00 0.98 H new ATOM 0 HE2 TYR A 57 -2.738 3.483 -9.000 1.00 1.19 H new ATOM 0 HH TYR A 57 -0.634 1.622 -6.834 1.00 1.66 H new ATOM 835 N PHE A 58 -7.793 6.753 -4.296 1.00 0.52 N ATOM 836 CA PHE A 58 -8.663 7.906 -4.368 1.00 0.60 C ATOM 837 C PHE A 58 -7.956 9.132 -3.805 1.00 0.73 C ATOM 838 O PHE A 58 -7.884 9.324 -2.588 1.00 0.80 O ATOM 839 CB PHE A 58 -9.956 7.648 -3.588 1.00 0.67 C ATOM 840 CG PHE A 58 -10.827 6.572 -4.178 1.00 0.96 C ATOM 841 CD1 PHE A 58 -10.570 5.230 -3.928 1.00 1.56 C ATOM 842 CD2 PHE A 58 -11.907 6.903 -4.979 1.00 1.19 C ATOM 843 CE1 PHE A 58 -11.373 4.244 -4.468 1.00 2.14 C ATOM 844 CE2 PHE A 58 -12.713 5.921 -5.522 1.00 1.65 C ATOM 845 CZ PHE A 58 -12.445 4.589 -5.267 1.00 2.08 C ATOM 0 H PHE A 58 -7.462 6.531 -3.357 1.00 0.52 H new ATOM 0 HA PHE A 58 -8.913 8.087 -5.413 1.00 0.60 H new ATOM 0 HB2 PHE A 58 -9.701 7.373 -2.564 1.00 0.67 H new ATOM 0 HB3 PHE A 58 -10.527 8.575 -3.536 1.00 0.67 H new ATOM 0 HD1 PHE A 58 -9.733 4.954 -3.304 1.00 1.56 H new ATOM 0 HD2 PHE A 58 -12.122 7.942 -5.182 1.00 1.19 H new ATOM 0 HE1 PHE A 58 -11.162 3.204 -4.265 1.00 2.14 H new ATOM 0 HE2 PHE A 58 -13.552 6.194 -6.145 1.00 1.65 H new ATOM 0 HZ PHE A 58 -13.073 3.820 -5.692 1.00 2.08 H new ATOM 990 N GLY A 69 -7.129 11.076 1.882 1.00 1.49 N ATOM 991 CA GLY A 69 -7.691 10.276 0.808 1.00 1.05 C ATOM 992 C GLY A 69 -7.650 8.782 1.074 1.00 0.84 C ATOM 993 O GLY A 69 -7.692 8.336 2.221 1.00 1.12 O ATOM 0 HA2 GLY A 69 -8.725 10.579 0.644 1.00 1.05 H new ATOM 0 HA3 GLY A 69 -7.148 10.487 -0.113 1.00 1.05 H new ATOM 997 N THR A 70 -7.574 8.000 0.013 1.00 0.52 N ATOM 998 CA THR A 70 -7.547 6.560 0.141 1.00 0.46 C ATOM 999 C THR A 70 -6.917 5.882 -1.067 1.00 0.39 C ATOM 1000 O THR A 70 -7.607 5.465 -1.991 1.00 0.44 O ATOM 1001 CB THR A 70 -8.951 5.996 0.366 1.00 0.58 C ATOM 1002 OG1 THR A 70 -9.945 6.915 -0.106 1.00 0.97 O ATOM 1003 CG2 THR A 70 -9.163 5.699 1.835 1.00 0.59 C ATOM 0 H THR A 70 -7.530 8.341 -0.947 1.00 0.52 H new ATOM 0 HA THR A 70 -6.928 6.345 1.012 1.00 0.46 H new ATOM 0 HB THR A 70 -9.047 5.068 -0.198 1.00 0.58 H new ATOM 0 HG1 THR A 70 -10.837 6.538 0.044 1.00 0.97 H new ATOM 0 HG21 THR A 70 -10.166 5.298 1.984 1.00 0.59 H new ATOM 0 HG22 THR A 70 -8.426 4.968 2.168 1.00 0.59 H new ATOM 0 HG23 THR A 70 -9.050 6.617 2.412 1.00 0.59 H new ATOM 1011 N GLU A 71 -5.611 5.747 -1.034 1.00 0.34 N ATOM 1012 CA GLU A 71 -4.883 5.042 -2.078 1.00 0.34 C ATOM 1013 C GLU A 71 -4.508 3.650 -1.595 1.00 0.31 C ATOM 1014 O GLU A 71 -3.633 3.499 -0.751 1.00 0.31 O ATOM 1015 CB GLU A 71 -3.621 5.817 -2.436 1.00 0.36 C ATOM 1016 CG GLU A 71 -3.900 7.220 -2.935 1.00 0.47 C ATOM 1017 CD GLU A 71 -2.635 7.986 -3.218 1.00 0.49 C ATOM 1018 OE1 GLU A 71 -2.096 7.837 -4.324 1.00 0.81 O ATOM 1019 OE2 GLU A 71 -2.182 8.734 -2.331 1.00 0.53 O ATOM 0 H GLU A 71 -5.021 6.119 -0.289 1.00 0.34 H new ATOM 0 HA GLU A 71 -5.517 4.956 -2.961 1.00 0.34 H new ATOM 0 HB2 GLU A 71 -2.976 5.872 -1.559 1.00 0.36 H new ATOM 0 HB3 GLU A 71 -3.072 5.269 -3.202 1.00 0.36 H new ATOM 0 HG2 GLU A 71 -4.502 7.168 -3.842 1.00 0.47 H new ATOM 0 HG3 GLU A 71 -4.489 7.757 -2.192 1.00 0.47 H new ATOM 1026 N HIS A 72 -5.175 2.620 -2.105 1.00 0.31 N ATOM 1027 CA HIS A 72 -4.931 1.281 -1.593 1.00 0.32 C ATOM 1028 C HIS A 72 -4.261 0.397 -2.631 1.00 0.29 C ATOM 1029 O HIS A 72 -4.441 0.565 -3.839 1.00 0.36 O ATOM 1030 CB HIS A 72 -6.188 0.527 -1.130 1.00 0.40 C ATOM 1031 CG HIS A 72 -7.349 1.315 -0.592 1.00 0.38 C ATOM 1032 ND1 HIS A 72 -8.354 0.715 0.128 1.00 0.42 N ATOM 1033 CD2 HIS A 72 -7.693 2.615 -0.685 1.00 0.46 C ATOM 1034 CE1 HIS A 72 -9.259 1.607 0.447 1.00 0.49 C ATOM 1035 NE2 HIS A 72 -8.891 2.774 -0.036 1.00 0.53 N ATOM 0 H HIS A 72 -5.868 2.683 -2.850 1.00 0.31 H new ATOM 0 HA HIS A 72 -4.290 1.459 -0.729 1.00 0.32 H new ATOM 0 HB2 HIS A 72 -6.550 -0.060 -1.974 1.00 0.40 H new ATOM 0 HB3 HIS A 72 -5.883 -0.180 -0.358 1.00 0.40 H new ATOM 0 HD1 HIS A 72 -8.390 -0.274 0.376 1.00 0.42 H new ATOM 0 HD2 HIS A 72 -7.128 3.391 -1.181 1.00 0.46 H new ATOM 0 HE1 HIS A 72 -10.159 1.416 1.013 1.00 0.49 H new ATOM 1044 N PHE A 73 -3.523 -0.564 -2.117 1.00 0.25 N ATOM 1045 CA PHE A 73 -2.919 -1.629 -2.894 1.00 0.25 C ATOM 1046 C PHE A 73 -3.532 -2.957 -2.478 1.00 0.25 C ATOM 1047 O PHE A 73 -3.455 -3.350 -1.318 1.00 0.30 O ATOM 1048 CB PHE A 73 -1.413 -1.646 -2.651 1.00 0.30 C ATOM 1049 CG PHE A 73 -0.692 -0.547 -3.368 1.00 0.43 C ATOM 1050 CD1 PHE A 73 -0.762 0.757 -2.914 1.00 0.75 C ATOM 1051 CD2 PHE A 73 0.059 -0.822 -4.498 1.00 0.59 C ATOM 1052 CE1 PHE A 73 -0.094 1.769 -3.574 1.00 1.10 C ATOM 1053 CE2 PHE A 73 0.729 0.185 -5.161 1.00 0.88 C ATOM 1054 CZ PHE A 73 0.634 1.495 -4.696 1.00 1.13 C ATOM 0 H PHE A 73 -3.320 -0.629 -1.119 1.00 0.25 H new ATOM 0 HA PHE A 73 -3.103 -1.465 -3.956 1.00 0.25 H new ATOM 0 HB2 PHE A 73 -1.222 -1.561 -1.581 1.00 0.30 H new ATOM 0 HB3 PHE A 73 -1.010 -2.607 -2.971 1.00 0.30 H new ATOM 0 HD1 PHE A 73 -1.345 0.986 -2.034 1.00 0.75 H new ATOM 0 HD2 PHE A 73 0.121 -1.836 -4.864 1.00 0.59 H new ATOM 0 HE1 PHE A 73 -0.148 2.781 -3.201 1.00 1.10 H new ATOM 0 HE2 PHE A 73 1.323 -0.040 -6.034 1.00 0.88 H new ATOM 0 HZ PHE A 73 1.136 2.293 -5.223 1.00 1.13 H new ATOM 1064 N HIS A 74 -4.167 -3.634 -3.410 1.00 0.25 N ATOM 1065 CA HIS A 74 -4.843 -4.882 -3.098 1.00 0.30 C ATOM 1066 C HIS A 74 -4.168 -6.050 -3.796 1.00 0.31 C ATOM 1067 O HIS A 74 -4.366 -6.248 -4.986 1.00 0.50 O ATOM 1068 CB HIS A 74 -6.305 -4.821 -3.543 1.00 0.38 C ATOM 1069 CG HIS A 74 -7.222 -4.088 -2.614 1.00 0.37 C ATOM 1070 ND1 HIS A 74 -8.586 -4.179 -2.724 1.00 0.42 N ATOM 1071 CD2 HIS A 74 -6.986 -3.292 -1.538 1.00 0.40 C ATOM 1072 CE1 HIS A 74 -9.154 -3.490 -1.758 1.00 0.47 C ATOM 1073 NE2 HIS A 74 -8.208 -2.940 -1.013 1.00 0.45 N ATOM 0 H HIS A 74 -4.231 -3.346 -4.386 1.00 0.25 H new ATOM 0 HA HIS A 74 -4.791 -5.027 -2.019 1.00 0.30 H new ATOM 0 HB2 HIS A 74 -6.351 -4.346 -4.523 1.00 0.38 H new ATOM 0 HB3 HIS A 74 -6.674 -5.839 -3.665 1.00 0.38 H new ATOM 0 HD2 HIS A 74 -6.018 -2.991 -1.164 1.00 0.40 H new ATOM 0 HE1 HIS A 74 -10.217 -3.390 -1.599 1.00 0.47 H new ATOM 0 HE2 HIS A 74 -8.359 -2.356 -0.191 1.00 0.45 H new ATOM 1082 N VAL A 75 -3.398 -6.844 -3.073 1.00 0.25 N ATOM 1083 CA VAL A 75 -2.777 -8.002 -3.686 1.00 0.26 C ATOM 1084 C VAL A 75 -3.489 -9.267 -3.251 1.00 0.25 C ATOM 1085 O VAL A 75 -3.556 -9.608 -2.066 1.00 0.27 O ATOM 1086 CB VAL A 75 -1.238 -8.098 -3.446 1.00 0.33 C ATOM 1087 CG1 VAL A 75 -0.806 -7.357 -2.197 1.00 0.71 C ATOM 1088 CG2 VAL A 75 -0.779 -9.551 -3.388 1.00 0.87 C ATOM 0 H VAL A 75 -3.191 -6.712 -2.083 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.887 -7.880 -4.764 1.00 0.26 H new ATOM 0 HB VAL A 75 -0.758 -7.615 -4.297 1.00 0.33 H new ATOM 0 HG11 VAL A 75 0.273 -7.452 -2.072 1.00 0.71 H new ATOM 0 HG12 VAL A 75 -1.069 -6.303 -2.290 1.00 0.71 H new ATOM 0 HG13 VAL A 75 -1.311 -7.782 -1.329 1.00 0.71 H new ATOM 0 HG21 VAL A 75 0.297 -9.586 -3.220 1.00 0.87 H new ATOM 0 HG22 VAL A 75 -1.291 -10.062 -2.572 1.00 0.87 H new ATOM 0 HG23 VAL A 75 -1.015 -10.045 -4.330 1.00 0.87 H new ATOM 1098 N THR A 76 -4.050 -9.945 -4.225 1.00 0.28 N ATOM 1099 CA THR A 76 -4.743 -11.179 -3.983 1.00 0.32 C ATOM 1100 C THR A 76 -3.856 -12.320 -4.426 1.00 0.34 C ATOM 1101 O THR A 76 -3.688 -12.545 -5.620 1.00 0.39 O ATOM 1102 CB THR A 76 -6.075 -11.221 -4.760 1.00 0.40 C ATOM 1103 OG1 THR A 76 -6.778 -9.986 -4.576 1.00 0.46 O ATOM 1104 CG2 THR A 76 -6.950 -12.375 -4.296 1.00 0.45 C ATOM 0 H THR A 76 -4.037 -9.654 -5.203 1.00 0.28 H new ATOM 0 HA THR A 76 -4.970 -11.264 -2.920 1.00 0.32 H new ATOM 0 HB THR A 76 -5.847 -11.368 -5.816 1.00 0.40 H new ATOM 0 HG1 THR A 76 -7.623 -10.014 -5.072 1.00 0.46 H new ATOM 0 HG21 THR A 76 -7.881 -12.377 -4.863 1.00 0.45 H new ATOM 0 HG22 THR A 76 -6.425 -13.317 -4.457 1.00 0.45 H new ATOM 0 HG23 THR A 76 -7.172 -12.260 -3.235 1.00 0.45 H new ATOM 1112 N VAL A 77 -3.253 -12.997 -3.462 1.00 0.36 N ATOM 1113 CA VAL A 77 -2.362 -14.111 -3.743 1.00 0.41 C ATOM 1114 C VAL A 77 -2.375 -15.102 -2.590 1.00 0.45 C ATOM 1115 O VAL A 77 -2.511 -14.709 -1.437 1.00 0.60 O ATOM 1116 CB VAL A 77 -0.910 -13.620 -3.975 1.00 0.53 C ATOM 1117 CG1 VAL A 77 -0.364 -12.916 -2.740 1.00 0.90 C ATOM 1118 CG2 VAL A 77 -0.002 -14.775 -4.368 1.00 1.04 C ATOM 0 H VAL A 77 -3.366 -12.792 -2.469 1.00 0.36 H new ATOM 0 HA VAL A 77 -2.719 -14.599 -4.650 1.00 0.41 H new ATOM 0 HB VAL A 77 -0.932 -12.903 -4.795 1.00 0.53 H new ATOM 0 HG11 VAL A 77 0.656 -12.583 -2.932 1.00 0.90 H new ATOM 0 HG12 VAL A 77 -0.989 -12.054 -2.506 1.00 0.90 H new ATOM 0 HG13 VAL A 77 -0.367 -13.606 -1.896 1.00 0.90 H new ATOM 0 HG21 VAL A 77 1.011 -14.404 -4.525 1.00 1.04 H new ATOM 0 HG22 VAL A 77 0.004 -15.520 -3.573 1.00 1.04 H new ATOM 0 HG23 VAL A 77 -0.369 -15.229 -5.288 1.00 1.04 H new ATOM 1128 N LYS A 78 -2.264 -16.384 -2.895 1.00 0.39 N ATOM 1129 CA LYS A 78 -2.033 -17.360 -1.854 1.00 0.41 C ATOM 1130 C LYS A 78 -0.848 -18.247 -2.232 1.00 0.40 C ATOM 1131 O LYS A 78 -0.933 -19.102 -3.117 1.00 0.42 O ATOM 1132 CB LYS A 78 -3.299 -18.177 -1.514 1.00 0.48 C ATOM 1133 CG LYS A 78 -3.662 -19.300 -2.481 1.00 0.77 C ATOM 1134 CD LYS A 78 -4.125 -18.788 -3.833 1.00 0.61 C ATOM 1135 CE LYS A 78 -4.430 -19.936 -4.784 1.00 1.29 C ATOM 1136 NZ LYS A 78 -5.525 -20.806 -4.284 1.00 1.54 N ATOM 0 H LYS A 78 -2.329 -16.765 -3.839 1.00 0.39 H new ATOM 0 HA LYS A 78 -1.783 -16.827 -0.937 1.00 0.41 H new ATOM 0 HB2 LYS A 78 -3.170 -18.609 -0.522 1.00 0.48 H new ATOM 0 HB3 LYS A 78 -4.143 -17.490 -1.456 1.00 0.48 H new ATOM 0 HG2 LYS A 78 -2.796 -19.947 -2.620 1.00 0.77 H new ATOM 0 HG3 LYS A 78 -4.449 -19.912 -2.041 1.00 0.77 H new ATOM 0 HD2 LYS A 78 -5.015 -18.172 -3.706 1.00 0.61 H new ATOM 0 HD3 LYS A 78 -3.355 -18.149 -4.266 1.00 0.61 H new ATOM 0 HE2 LYS A 78 -4.705 -19.534 -5.759 1.00 1.29 H new ATOM 0 HE3 LYS A 78 -3.530 -20.534 -4.928 1.00 1.29 H new ATOM 0 HZ1 LYS A 78 -5.835 -21.445 -5.044 1.00 1.54 H new ATOM 0 HZ2 LYS A 78 -5.182 -21.367 -3.478 1.00 1.54 H new ATOM 0 HZ3 LYS A 78 -6.325 -20.216 -3.979 1.00 1.54 H new ATOM 1150 N ALA A 79 0.279 -17.978 -1.598 1.00 0.39 N ATOM 1151 CA ALA A 79 1.499 -18.736 -1.818 1.00 0.40 C ATOM 1152 C ALA A 79 2.489 -18.418 -0.716 1.00 0.43 C ATOM 1153 O ALA A 79 2.542 -17.284 -0.258 1.00 0.67 O ATOM 1154 CB ALA A 79 2.100 -18.421 -3.185 1.00 0.46 C ATOM 0 H ALA A 79 0.375 -17.227 -0.915 1.00 0.39 H new ATOM 0 HA ALA A 79 1.263 -19.800 -1.799 1.00 0.40 H new ATOM 0 HB1 ALA A 79 3.012 -19.002 -3.324 1.00 0.46 H new ATOM 0 HB2 ALA A 79 1.384 -18.678 -3.965 1.00 0.46 H new ATOM 0 HB3 ALA A 79 2.334 -17.358 -3.243 1.00 0.46 H new ATOM 1160 N ALA A 80 3.275 -19.403 -0.306 1.00 0.34 N ATOM 1161 CA ALA A 80 4.171 -19.243 0.834 1.00 0.33 C ATOM 1162 C ALA A 80 5.380 -18.380 0.474 1.00 0.34 C ATOM 1163 O ALA A 80 6.385 -18.874 -0.046 1.00 0.44 O ATOM 1164 CB ALA A 80 4.619 -20.600 1.353 1.00 0.37 C ATOM 0 H ALA A 80 3.312 -20.323 -0.745 1.00 0.34 H new ATOM 0 HA ALA A 80 3.620 -18.732 1.623 1.00 0.33 H new ATOM 0 HB1 ALA A 80 5.287 -20.462 2.203 1.00 0.37 H new ATOM 0 HB2 ALA A 80 3.748 -21.176 1.666 1.00 0.37 H new ATOM 0 HB3 ALA A 80 5.144 -21.137 0.563 1.00 0.37 H new ATOM 1170 N GLY A 81 5.259 -17.092 0.753 1.00 0.28 N ATOM 1171 CA GLY A 81 6.322 -16.149 0.477 1.00 0.29 C ATOM 1172 C GLY A 81 6.273 -14.981 1.434 1.00 0.25 C ATOM 1173 O GLY A 81 5.308 -14.819 2.171 1.00 0.26 O ATOM 0 H GLY A 81 4.427 -16.677 1.173 1.00 0.28 H new ATOM 0 HA2 GLY A 81 7.287 -16.650 0.558 1.00 0.29 H new ATOM 0 HA3 GLY A 81 6.235 -15.788 -0.548 1.00 0.29 H new ATOM 1177 N THR A 82 7.305 -14.174 1.459 1.00 0.26 N ATOM 1178 CA THR A 82 7.293 -13.006 2.312 1.00 0.25 C ATOM 1179 C THR A 82 6.982 -11.772 1.481 1.00 0.25 C ATOM 1180 O THR A 82 7.605 -11.521 0.449 1.00 0.30 O ATOM 1181 CB THR A 82 8.634 -12.810 3.038 1.00 0.32 C ATOM 1182 OG1 THR A 82 9.149 -14.078 3.474 1.00 0.40 O ATOM 1183 CG2 THR A 82 8.446 -11.898 4.239 1.00 0.36 C ATOM 0 H THR A 82 8.154 -14.299 0.908 1.00 0.26 H new ATOM 0 HA THR A 82 6.523 -13.156 3.069 1.00 0.25 H new ATOM 0 HB THR A 82 9.343 -12.354 2.347 1.00 0.32 H new ATOM 0 HG1 THR A 82 10.004 -13.943 3.934 1.00 0.40 H new ATOM 0 HG21 THR A 82 9.401 -11.765 4.748 1.00 0.36 H new ATOM 0 HG22 THR A 82 8.074 -10.929 3.906 1.00 0.36 H new ATOM 0 HG23 THR A 82 7.728 -12.345 4.927 1.00 0.36 H new ATOM 1191 N HIS A 83 6.005 -11.010 1.933 1.00 0.24 N ATOM 1192 CA HIS A 83 5.522 -9.864 1.193 1.00 0.25 C ATOM 1193 C HIS A 83 6.042 -8.582 1.829 1.00 0.24 C ATOM 1194 O HIS A 83 5.519 -8.122 2.841 1.00 0.24 O ATOM 1195 CB HIS A 83 3.985 -9.842 1.195 1.00 0.27 C ATOM 1196 CG HIS A 83 3.384 -8.966 0.134 1.00 0.31 C ATOM 1197 ND1 HIS A 83 3.694 -7.631 -0.012 1.00 0.40 N ATOM 1198 CD2 HIS A 83 2.472 -9.242 -0.830 1.00 0.37 C ATOM 1199 CE1 HIS A 83 3.001 -7.121 -1.016 1.00 0.40 C ATOM 1200 NE2 HIS A 83 2.253 -8.079 -1.531 1.00 0.39 N ATOM 0 H HIS A 83 5.526 -11.168 2.820 1.00 0.24 H new ATOM 0 HA HIS A 83 5.880 -9.935 0.166 1.00 0.25 H new ATOM 0 HB2 HIS A 83 3.617 -10.860 1.062 1.00 0.27 H new ATOM 0 HB3 HIS A 83 3.638 -9.503 2.171 1.00 0.27 H new ATOM 0 HD1 HIS A 83 4.357 -7.115 0.566 1.00 0.40 H new ATOM 0 HD2 HIS A 83 2.004 -10.198 -1.014 1.00 0.37 H new ATOM 0 HE1 HIS A 83 3.040 -6.097 -1.356 1.00 0.40 H new ATOM 1209 N ALA A 84 7.032 -7.979 1.210 1.00 0.25 N ATOM 1210 CA ALA A 84 7.559 -6.726 1.704 1.00 0.25 C ATOM 1211 C ALA A 84 6.983 -5.607 0.870 1.00 0.25 C ATOM 1212 O ALA A 84 7.088 -5.624 -0.353 1.00 0.35 O ATOM 1213 CB ALA A 84 9.080 -6.720 1.649 1.00 0.31 C ATOM 0 H ALA A 84 7.487 -8.333 0.368 1.00 0.25 H new ATOM 0 HA ALA A 84 7.275 -6.590 2.747 1.00 0.25 H new ATOM 0 HB1 ALA A 84 9.454 -5.768 2.025 1.00 0.31 H new ATOM 0 HB2 ALA A 84 9.470 -7.531 2.264 1.00 0.31 H new ATOM 0 HB3 ALA A 84 9.407 -6.856 0.618 1.00 0.31 H new ATOM 1219 N VAL A 85 6.309 -4.676 1.520 1.00 0.22 N ATOM 1220 CA VAL A 85 5.620 -3.629 0.797 1.00 0.23 C ATOM 1221 C VAL A 85 6.236 -2.278 1.095 1.00 0.22 C ATOM 1222 O VAL A 85 5.994 -1.698 2.156 1.00 0.25 O ATOM 1223 CB VAL A 85 4.129 -3.575 1.170 1.00 0.26 C ATOM 1224 CG1 VAL A 85 3.311 -2.966 0.043 1.00 0.50 C ATOM 1225 CG2 VAL A 85 3.616 -4.953 1.547 1.00 0.59 C ATOM 0 H VAL A 85 6.225 -4.625 2.535 1.00 0.22 H new ATOM 0 HA VAL A 85 5.718 -3.859 -0.264 1.00 0.23 H new ATOM 0 HB VAL A 85 4.018 -2.932 2.043 1.00 0.26 H new ATOM 0 HG11 VAL A 85 2.260 -2.938 0.330 1.00 0.50 H new ATOM 0 HG12 VAL A 85 3.660 -1.952 -0.153 1.00 0.50 H new ATOM 0 HG13 VAL A 85 3.426 -3.570 -0.857 1.00 0.50 H new ATOM 0 HG21 VAL A 85 2.559 -4.889 1.807 1.00 0.59 H new ATOM 0 HG22 VAL A 85 3.742 -5.632 0.703 1.00 0.59 H new ATOM 0 HG23 VAL A 85 4.178 -5.329 2.402 1.00 0.59 H new ATOM 1235 N ASN A 86 7.036 -1.794 0.162 1.00 0.22 N ATOM 1236 CA ASN A 86 7.599 -0.458 0.242 1.00 0.22 C ATOM 1237 C ASN A 86 6.923 0.407 -0.802 1.00 0.20 C ATOM 1238 O ASN A 86 7.216 0.312 -1.991 1.00 0.24 O ATOM 1239 CB ASN A 86 9.119 -0.470 0.005 1.00 0.28 C ATOM 1240 CG ASN A 86 9.919 -1.205 1.074 1.00 0.85 C ATOM 1241 OD1 ASN A 86 11.048 -0.825 1.386 1.00 1.53 O ATOM 1242 ND2 ASN A 86 9.367 -2.276 1.619 1.00 0.94 N ATOM 0 H ASN A 86 7.313 -2.314 -0.670 1.00 0.22 H new ATOM 0 HA ASN A 86 7.427 -0.060 1.242 1.00 0.22 H new ATOM 0 HB2 ASN A 86 9.320 -0.931 -0.962 1.00 0.28 H new ATOM 0 HB3 ASN A 86 9.473 0.559 -0.053 1.00 0.28 H new ATOM 0 HD21 ASN A 86 9.879 -2.813 2.319 1.00 0.94 H new ATOM 0 HD22 ASN A 86 8.430 -2.565 1.339 1.00 0.94 H new ATOM 1249 N LEU A 87 6.013 1.241 -0.350 1.00 0.18 N ATOM 1250 CA LEU A 87 5.250 2.087 -1.242 1.00 0.19 C ATOM 1251 C LEU A 87 5.757 3.511 -1.153 1.00 0.18 C ATOM 1252 O LEU A 87 5.795 4.097 -0.080 1.00 0.18 O ATOM 1253 CB LEU A 87 3.767 2.014 -0.885 1.00 0.20 C ATOM 1254 CG LEU A 87 3.135 0.627 -1.028 1.00 0.21 C ATOM 1255 CD1 LEU A 87 1.746 0.607 -0.417 1.00 0.24 C ATOM 1256 CD2 LEU A 87 3.069 0.227 -2.484 1.00 0.22 C ATOM 0 H LEU A 87 5.782 1.352 0.637 1.00 0.18 H new ATOM 0 HA LEU A 87 5.373 1.740 -2.268 1.00 0.19 H new ATOM 0 HB2 LEU A 87 3.639 2.351 0.144 1.00 0.20 H new ATOM 0 HB3 LEU A 87 3.221 2.713 -1.519 1.00 0.20 H new ATOM 0 HG LEU A 87 3.759 -0.090 -0.494 1.00 0.21 H new ATOM 0 HD11 LEU A 87 1.314 -0.387 -0.529 1.00 0.24 H new ATOM 0 HD12 LEU A 87 1.811 0.858 0.642 1.00 0.24 H new ATOM 0 HD13 LEU A 87 1.115 1.336 -0.925 1.00 0.24 H new ATOM 0 HD21 LEU A 87 2.617 -0.761 -2.570 1.00 0.22 H new ATOM 0 HD22 LEU A 87 2.466 0.950 -3.033 1.00 0.22 H new ATOM 0 HD23 LEU A 87 4.076 0.203 -2.901 1.00 0.22 H new ATOM 1268 N THR A 88 6.124 4.068 -2.281 1.00 0.21 N ATOM 1269 CA THR A 88 6.767 5.355 -2.317 1.00 0.21 C ATOM 1270 C THR A 88 5.777 6.442 -2.719 1.00 0.21 C ATOM 1271 O THR A 88 5.216 6.441 -3.820 1.00 0.29 O ATOM 1272 CB THR A 88 7.963 5.325 -3.287 1.00 0.25 C ATOM 1273 OG1 THR A 88 8.707 4.116 -3.087 1.00 0.29 O ATOM 1274 CG2 THR A 88 8.880 6.514 -3.055 1.00 0.29 C ATOM 0 H THR A 88 5.985 3.642 -3.197 1.00 0.21 H new ATOM 0 HA THR A 88 7.135 5.586 -1.317 1.00 0.21 H new ATOM 0 HB THR A 88 7.580 5.371 -4.307 1.00 0.25 H new ATOM 0 HG1 THR A 88 8.313 3.397 -3.624 1.00 0.29 H new ATOM 0 HG21 THR A 88 9.717 6.470 -3.752 1.00 0.29 H new ATOM 0 HG22 THR A 88 8.324 7.438 -3.213 1.00 0.29 H new ATOM 0 HG23 THR A 88 9.258 6.488 -2.033 1.00 0.29 H new ATOM 1282 N TYR A 89 5.566 7.357 -1.789 1.00 0.24 N ATOM 1283 CA TYR A 89 4.628 8.452 -1.943 1.00 0.27 C ATOM 1284 C TYR A 89 5.304 9.604 -2.677 1.00 0.27 C ATOM 1285 O TYR A 89 6.017 10.404 -2.068 1.00 0.30 O ATOM 1286 CB TYR A 89 4.162 8.905 -0.555 1.00 0.37 C ATOM 1287 CG TYR A 89 2.958 9.813 -0.559 1.00 0.45 C ATOM 1288 CD1 TYR A 89 2.044 9.778 -1.593 1.00 0.68 C ATOM 1289 CD2 TYR A 89 2.732 10.693 0.485 1.00 1.00 C ATOM 1290 CE1 TYR A 89 0.936 10.597 -1.596 1.00 0.69 C ATOM 1291 CE2 TYR A 89 1.628 11.515 0.489 1.00 1.11 C ATOM 1292 CZ TYR A 89 0.731 11.466 -0.558 1.00 0.68 C ATOM 1293 OH TYR A 89 -0.375 12.289 -0.571 1.00 0.80 O ATOM 0 H TYR A 89 6.050 7.359 -0.891 1.00 0.24 H new ATOM 0 HA TYR A 89 3.765 8.127 -2.525 1.00 0.27 H new ATOM 0 HB2 TYR A 89 3.932 8.022 0.042 1.00 0.37 H new ATOM 0 HB3 TYR A 89 4.986 9.419 -0.060 1.00 0.37 H new ATOM 0 HD1 TYR A 89 2.200 9.096 -2.415 1.00 0.68 H new ATOM 0 HD2 TYR A 89 3.431 10.735 1.307 1.00 1.00 H new ATOM 0 HE1 TYR A 89 0.232 10.554 -2.414 1.00 0.69 H new ATOM 0 HE2 TYR A 89 1.464 12.197 1.310 1.00 1.11 H new ATOM 0 HH TYR A 89 -1.027 11.971 0.088 1.00 0.80 H new ATOM 1303 N MET A 90 5.094 9.676 -3.985 1.00 0.29 N ATOM 1304 CA MET A 90 5.754 10.693 -4.799 1.00 0.34 C ATOM 1305 C MET A 90 4.783 11.275 -5.793 1.00 0.38 C ATOM 1306 O MET A 90 3.707 10.736 -6.007 1.00 0.47 O ATOM 1307 CB MET A 90 6.917 10.126 -5.612 1.00 0.37 C ATOM 1308 CG MET A 90 7.648 8.962 -4.976 1.00 0.36 C ATOM 1309 SD MET A 90 8.909 8.279 -6.068 1.00 0.65 S ATOM 1310 CE MET A 90 7.900 7.828 -7.478 1.00 0.54 C ATOM 0 H MET A 90 4.478 9.049 -4.503 1.00 0.29 H new ATOM 0 HA MET A 90 6.123 11.443 -4.100 1.00 0.34 H new ATOM 0 HB2 MET A 90 6.538 9.808 -6.583 1.00 0.37 H new ATOM 0 HB3 MET A 90 7.634 10.926 -5.796 1.00 0.37 H new ATOM 0 HG2 MET A 90 8.113 9.290 -4.046 1.00 0.36 H new ATOM 0 HG3 MET A 90 6.932 8.182 -4.717 1.00 0.36 H new ATOM 0 HE1 MET A 90 8.475 7.187 -8.147 1.00 0.54 H new ATOM 0 HE2 MET A 90 7.014 7.293 -7.135 1.00 0.54 H new ATOM 0 HE3 MET A 90 7.596 8.729 -8.011 1.00 0.54 H new ATOM 1320 N ARG A 91 5.184 12.373 -6.400 1.00 0.40 N ATOM 1321 CA ARG A 91 4.479 12.927 -7.538 1.00 0.49 C ATOM 1322 C ARG A 91 4.685 12.003 -8.738 1.00 0.58 C ATOM 1323 O ARG A 91 5.746 12.018 -9.336 1.00 0.65 O ATOM 1324 CB ARG A 91 5.013 14.333 -7.826 1.00 0.55 C ATOM 1325 CG ARG A 91 4.066 15.446 -7.399 1.00 0.67 C ATOM 1326 CD ARG A 91 4.759 16.801 -7.346 1.00 0.79 C ATOM 1327 NE ARG A 91 5.562 16.975 -6.130 1.00 1.37 N ATOM 1328 CZ ARG A 91 6.153 18.125 -5.789 1.00 1.71 C ATOM 1329 NH1 ARG A 91 6.052 19.176 -6.591 1.00 1.74 N ATOM 1330 NH2 ARG A 91 6.832 18.226 -4.649 1.00 2.59 N ATOM 0 H ARG A 91 6.007 12.906 -6.119 1.00 0.40 H new ATOM 0 HA ARG A 91 3.411 13.003 -7.331 1.00 0.49 H new ATOM 0 HB2 ARG A 91 5.966 14.462 -7.313 1.00 0.55 H new ATOM 0 HB3 ARG A 91 5.210 14.426 -8.894 1.00 0.55 H new ATOM 0 HG2 ARG A 91 3.228 15.495 -8.095 1.00 0.67 H new ATOM 0 HG3 ARG A 91 3.652 15.213 -6.418 1.00 0.67 H new ATOM 0 HD2 ARG A 91 5.401 16.912 -8.220 1.00 0.79 H new ATOM 0 HD3 ARG A 91 4.010 17.591 -7.399 1.00 0.79 H new ATOM 0 HE ARG A 91 5.676 16.173 -5.510 1.00 1.37 H new ATOM 0 HH11 ARG A 91 5.526 19.104 -7.462 1.00 1.74 H new ATOM 0 HH12 ARG A 91 6.500 20.056 -6.337 1.00 1.74 H new ATOM 0 HH21 ARG A 91 6.905 17.422 -4.026 1.00 2.59 H new ATOM 0 HH22 ARG A 91 7.279 19.108 -4.398 1.00 2.59 H new ATOM 1344 N PRO A 92 3.670 11.200 -9.101 1.00 0.67 N ATOM 1345 CA PRO A 92 3.811 10.068 -10.039 1.00 0.81 C ATOM 1346 C PRO A 92 4.621 10.376 -11.303 1.00 0.91 C ATOM 1347 O PRO A 92 5.390 9.535 -11.770 1.00 1.04 O ATOM 1348 CB PRO A 92 2.364 9.714 -10.413 1.00 0.92 C ATOM 1349 CG PRO A 92 1.504 10.762 -9.787 1.00 0.88 C ATOM 1350 CD PRO A 92 2.285 11.320 -8.636 1.00 0.72 C ATOM 0 HA PRO A 92 4.369 9.261 -9.564 1.00 0.81 H new ATOM 0 HB2 PRO A 92 2.234 9.699 -11.495 1.00 0.92 H new ATOM 0 HB3 PRO A 92 2.099 8.722 -10.046 1.00 0.92 H new ATOM 0 HG2 PRO A 92 1.260 11.544 -10.506 1.00 0.88 H new ATOM 0 HG3 PRO A 92 0.560 10.337 -9.446 1.00 0.88 H new ATOM 0 HD2 PRO A 92 2.016 12.355 -8.428 1.00 0.72 H new ATOM 0 HD3 PRO A 92 2.115 10.756 -7.719 1.00 0.72 H new ATOM 1358 N TRP A 93 4.464 11.575 -11.844 1.00 0.90 N ATOM 1359 CA TRP A 93 5.112 11.934 -13.100 1.00 1.03 C ATOM 1360 C TRP A 93 6.579 12.337 -12.908 1.00 1.03 C ATOM 1361 O TRP A 93 7.274 12.634 -13.881 1.00 1.17 O ATOM 1362 CB TRP A 93 4.335 13.063 -13.784 1.00 1.08 C ATOM 1363 CG TRP A 93 4.133 14.266 -12.913 1.00 0.98 C ATOM 1364 CD1 TRP A 93 4.921 15.376 -12.854 1.00 1.01 C ATOM 1365 CD2 TRP A 93 3.068 14.481 -11.982 1.00 0.93 C ATOM 1366 NE1 TRP A 93 4.416 16.263 -11.937 1.00 0.98 N ATOM 1367 CE2 TRP A 93 3.276 15.739 -11.389 1.00 0.94 C ATOM 1368 CE3 TRP A 93 1.960 13.729 -11.592 1.00 0.93 C ATOM 1369 CZ2 TRP A 93 2.414 16.260 -10.427 1.00 0.98 C ATOM 1370 CZ3 TRP A 93 1.105 14.245 -10.638 1.00 0.96 C ATOM 1371 CH2 TRP A 93 1.335 15.501 -10.066 1.00 0.99 C ATOM 0 H TRP A 93 3.895 12.316 -11.435 1.00 0.90 H new ATOM 0 HA TRP A 93 5.106 11.048 -13.735 1.00 1.03 H new ATOM 0 HB2 TRP A 93 4.867 13.364 -14.687 1.00 1.08 H new ATOM 0 HB3 TRP A 93 3.362 12.685 -14.098 1.00 1.08 H new ATOM 0 HD1 TRP A 93 5.812 15.534 -13.443 1.00 1.01 H new ATOM 0 HE1 TRP A 93 4.824 17.168 -11.701 1.00 0.98 H new ATOM 0 HE3 TRP A 93 1.774 12.759 -12.029 1.00 0.93 H new ATOM 0 HZ2 TRP A 93 2.591 17.228 -9.982 1.00 0.98 H new ATOM 0 HZ3 TRP A 93 0.245 13.670 -10.329 1.00 0.96 H new ATOM 0 HH2 TRP A 93 0.647 15.879 -9.324 1.00 0.99 H new ATOM 1382 N THR A 94 7.046 12.352 -11.663 1.00 0.91 N ATOM 1383 CA THR A 94 8.438 12.684 -11.365 1.00 0.95 C ATOM 1384 C THR A 94 8.822 12.215 -9.951 1.00 0.86 C ATOM 1385 O THR A 94 9.652 11.318 -9.797 1.00 1.07 O ATOM 1386 CB THR A 94 8.716 14.206 -11.539 1.00 0.98 C ATOM 1387 OG1 THR A 94 10.033 14.538 -11.078 1.00 1.09 O ATOM 1388 CG2 THR A 94 7.691 15.061 -10.806 1.00 0.85 C ATOM 0 H THR A 94 6.480 12.138 -10.842 1.00 0.91 H new ATOM 0 HA THR A 94 9.062 12.153 -12.084 1.00 0.95 H new ATOM 0 HB THR A 94 8.638 14.421 -12.605 1.00 0.98 H new ATOM 0 HG1 THR A 94 10.189 15.498 -11.197 1.00 1.09 H new ATOM 0 HG21 THR A 94 7.924 16.115 -10.955 1.00 0.85 H new ATOM 0 HG22 THR A 94 6.695 14.850 -11.197 1.00 0.85 H new ATOM 0 HG23 THR A 94 7.719 14.830 -9.741 1.00 0.85 H new ATOM 1396 N GLY A 95 8.198 12.800 -8.931 1.00 0.64 N ATOM 1397 CA GLY A 95 8.473 12.414 -7.559 1.00 0.60 C ATOM 1398 C GLY A 95 9.823 12.896 -7.099 1.00 0.70 C ATOM 1399 O GLY A 95 10.811 12.167 -7.193 1.00 1.16 O ATOM 0 H GLY A 95 7.503 13.539 -9.033 1.00 0.64 H new ATOM 0 HA2 GLY A 95 7.701 12.821 -6.906 1.00 0.60 H new ATOM 0 HA3 GLY A 95 8.426 11.329 -7.471 1.00 0.60 H new ATOM 1403 N PRO A 96 9.884 14.143 -6.614 1.00 0.64 N ATOM 1404 CA PRO A 96 11.102 14.733 -6.061 1.00 0.90 C ATOM 1405 C PRO A 96 11.842 13.771 -5.139 1.00 0.98 C ATOM 1406 O PRO A 96 11.348 13.426 -4.062 1.00 1.17 O ATOM 1407 CB PRO A 96 10.560 15.920 -5.274 1.00 1.02 C ATOM 1408 CG PRO A 96 9.365 16.348 -6.037 1.00 1.20 C ATOM 1409 CD PRO A 96 8.755 15.090 -6.582 1.00 0.97 C ATOM 0 HA PRO A 96 11.829 14.997 -6.829 1.00 0.90 H new ATOM 0 HB2 PRO A 96 10.300 15.636 -4.254 1.00 1.02 H new ATOM 0 HB3 PRO A 96 11.296 16.721 -5.205 1.00 1.02 H new ATOM 0 HG2 PRO A 96 8.661 16.878 -5.396 1.00 1.20 H new ATOM 0 HG3 PRO A 96 9.639 17.030 -6.842 1.00 1.20 H new ATOM 0 HD2 PRO A 96 7.946 14.729 -5.947 1.00 0.97 H new ATOM 0 HD3 PRO A 96 8.334 15.246 -7.575 1.00 0.97 H new ATOM 1417 N SER A 97 13.027 13.361 -5.567 1.00 1.20 N ATOM 1418 CA SER A 97 13.833 12.374 -4.848 1.00 1.48 C ATOM 1419 C SER A 97 14.467 12.986 -3.597 1.00 1.31 C ATOM 1420 O SER A 97 15.679 12.912 -3.389 1.00 1.86 O ATOM 1421 CB SER A 97 14.909 11.826 -5.784 1.00 2.04 C ATOM 1422 OG SER A 97 14.338 11.415 -7.016 1.00 2.64 O ATOM 0 H SER A 97 13.462 13.702 -6.425 1.00 1.20 H new ATOM 0 HA SER A 97 13.187 11.559 -4.522 1.00 1.48 H new ATOM 0 HB2 SER A 97 15.665 12.590 -5.965 1.00 2.04 H new ATOM 0 HB3 SER A 97 15.414 10.983 -5.312 1.00 2.04 H new ATOM 0 HG SER A 97 15.042 11.069 -7.603 1.00 2.64 H new ATOM 1428 N HIS A 98 13.619 13.572 -2.768 1.00 1.20 N ATOM 1429 CA HIS A 98 14.033 14.264 -1.555 1.00 1.22 C ATOM 1430 C HIS A 98 12.795 14.720 -0.796 1.00 0.98 C ATOM 1431 O HIS A 98 12.845 14.984 0.400 1.00 1.07 O ATOM 1432 CB HIS A 98 14.920 15.483 -1.878 1.00 1.58 C ATOM 1433 CG HIS A 98 14.182 16.645 -2.492 1.00 2.34 C ATOM 1434 ND1 HIS A 98 13.766 17.737 -1.763 1.00 3.02 N ATOM 1435 CD2 HIS A 98 13.786 16.877 -3.768 1.00 3.23 C ATOM 1436 CE1 HIS A 98 13.144 18.590 -2.559 1.00 3.95 C ATOM 1437 NE2 HIS A 98 13.142 18.090 -3.780 1.00 4.09 N ATOM 0 H HIS A 98 12.610 13.582 -2.919 1.00 1.20 H new ATOM 0 HA HIS A 98 14.618 13.575 -0.946 1.00 1.22 H new ATOM 0 HB2 HIS A 98 15.403 15.819 -0.960 1.00 1.58 H new ATOM 0 HB3 HIS A 98 15.712 15.171 -2.559 1.00 1.58 H new ATOM 0 HD2 HIS A 98 13.947 16.229 -4.617 1.00 3.23 H new ATOM 0 HE1 HIS A 98 12.712 19.534 -2.261 1.00 3.95 H new ATOM 0 HE2 HIS A 98 12.729 18.533 -4.601 1.00 4.09 H new ATOM 1446 N ASP A 99 11.681 14.815 -1.517 1.00 0.79 N ATOM 1447 CA ASP A 99 10.446 15.329 -0.951 1.00 0.79 C ATOM 1448 C ASP A 99 9.467 14.180 -0.738 1.00 0.77 C ATOM 1449 O ASP A 99 8.523 14.278 0.045 1.00 1.35 O ATOM 1450 CB ASP A 99 9.882 16.395 -1.905 1.00 0.96 C ATOM 1451 CG ASP A 99 8.596 17.043 -1.427 1.00 1.18 C ATOM 1452 OD1 ASP A 99 8.580 17.596 -0.310 1.00 1.35 O ATOM 1453 OD2 ASP A 99 7.612 17.051 -2.195 1.00 1.67 O ATOM 0 H ASP A 99 11.613 14.541 -2.497 1.00 0.79 H new ATOM 0 HA ASP A 99 10.623 15.791 0.020 1.00 0.79 H new ATOM 0 HB2 ASP A 99 10.634 17.171 -2.050 1.00 0.96 H new ATOM 0 HB3 ASP A 99 9.705 15.937 -2.878 1.00 0.96 H new ATOM 1458 N SER A 100 9.747 13.070 -1.412 1.00 0.51 N ATOM 1459 CA SER A 100 8.879 11.903 -1.403 1.00 0.45 C ATOM 1460 C SER A 100 8.930 11.147 -0.074 1.00 0.46 C ATOM 1461 O SER A 100 9.982 11.037 0.556 1.00 0.69 O ATOM 1462 CB SER A 100 9.278 10.979 -2.551 1.00 0.55 C ATOM 1463 OG SER A 100 10.687 10.809 -2.598 1.00 1.39 O ATOM 0 H SER A 100 10.586 12.956 -1.981 1.00 0.51 H new ATOM 0 HA SER A 100 7.852 12.245 -1.530 1.00 0.45 H new ATOM 0 HB2 SER A 100 8.795 10.010 -2.428 1.00 0.55 H new ATOM 0 HB3 SER A 100 8.926 11.393 -3.496 1.00 0.55 H new ATOM 0 HG SER A 100 11.081 11.499 -3.172 1.00 1.39 H new ATOM 1469 N GLU A 101 7.781 10.634 0.337 1.00 0.35 N ATOM 1470 CA GLU A 101 7.683 9.804 1.530 1.00 0.40 C ATOM 1471 C GLU A 101 7.549 8.347 1.088 1.00 0.40 C ATOM 1472 O GLU A 101 7.405 8.084 -0.101 1.00 0.68 O ATOM 1473 CB GLU A 101 6.480 10.255 2.379 1.00 0.46 C ATOM 1474 CG GLU A 101 6.289 9.485 3.683 1.00 0.62 C ATOM 1475 CD GLU A 101 7.527 9.480 4.556 1.00 1.06 C ATOM 1476 OE1 GLU A 101 8.367 8.574 4.391 1.00 1.91 O ATOM 1477 OE2 GLU A 101 7.665 10.374 5.413 1.00 1.19 O ATOM 0 H GLU A 101 6.893 10.780 -0.144 1.00 0.35 H new ATOM 0 HA GLU A 101 8.574 9.905 2.149 1.00 0.40 H new ATOM 0 HB2 GLU A 101 6.595 11.313 2.613 1.00 0.46 H new ATOM 0 HB3 GLU A 101 5.574 10.157 1.780 1.00 0.46 H new ATOM 0 HG2 GLU A 101 5.461 9.924 4.239 1.00 0.62 H new ATOM 0 HG3 GLU A 101 6.009 8.457 3.453 1.00 0.62 H new ATOM 1484 N ARG A 102 7.620 7.400 2.010 1.00 0.22 N ATOM 1485 CA ARG A 102 7.514 5.998 1.647 1.00 0.18 C ATOM 1486 C ARG A 102 6.981 5.179 2.815 1.00 0.17 C ATOM 1487 O ARG A 102 7.334 5.396 3.974 1.00 0.20 O ATOM 1488 CB ARG A 102 8.888 5.477 1.189 1.00 0.23 C ATOM 1489 CG ARG A 102 8.854 4.173 0.397 1.00 0.26 C ATOM 1490 CD ARG A 102 10.236 3.821 -0.140 1.00 0.36 C ATOM 1491 NE ARG A 102 10.206 2.735 -1.131 1.00 0.37 N ATOM 1492 CZ ARG A 102 11.231 1.909 -1.353 1.00 0.44 C ATOM 1493 NH1 ARG A 102 12.350 2.031 -0.647 1.00 0.62 N ATOM 1494 NH2 ARG A 102 11.151 0.975 -2.295 1.00 0.52 N ATOM 0 H ARG A 102 7.749 7.575 3.006 1.00 0.22 H new ATOM 0 HA ARG A 102 6.808 5.896 0.823 1.00 0.18 H new ATOM 0 HB2 ARG A 102 9.365 6.243 0.577 1.00 0.23 H new ATOM 0 HB3 ARG A 102 9.517 5.334 2.068 1.00 0.23 H new ATOM 0 HG2 ARG A 102 8.492 3.366 1.034 1.00 0.26 H new ATOM 0 HG3 ARG A 102 8.151 4.265 -0.431 1.00 0.26 H new ATOM 0 HD2 ARG A 102 10.681 4.707 -0.593 1.00 0.36 H new ATOM 0 HD3 ARG A 102 10.880 3.531 0.690 1.00 0.36 H new ATOM 0 HE ARG A 102 9.355 2.606 -1.679 1.00 0.37 H new ATOM 0 HH11 ARG A 102 12.427 2.757 0.066 1.00 0.62 H new ATOM 0 HH12 ARG A 102 13.132 1.399 -0.818 1.00 0.62 H new ATOM 0 HH21 ARG A 102 10.302 0.886 -2.854 1.00 0.52 H new ATOM 0 HH22 ARG A 102 11.938 0.347 -2.459 1.00 0.52 H new ATOM 1508 N PHE A 103 6.126 4.240 2.470 1.00 0.15 N ATOM 1509 CA PHE A 103 5.483 3.353 3.414 1.00 0.17 C ATOM 1510 C PHE A 103 6.168 2.001 3.352 1.00 0.18 C ATOM 1511 O PHE A 103 6.762 1.661 2.330 1.00 0.21 O ATOM 1512 CB PHE A 103 3.991 3.228 3.056 1.00 0.18 C ATOM 1513 CG PHE A 103 3.362 1.936 3.454 1.00 0.35 C ATOM 1514 CD1 PHE A 103 3.407 0.848 2.600 1.00 0.51 C ATOM 1515 CD2 PHE A 103 2.735 1.806 4.675 1.00 0.55 C ATOM 1516 CE1 PHE A 103 2.837 -0.346 2.959 1.00 0.75 C ATOM 1517 CE2 PHE A 103 2.164 0.612 5.039 1.00 0.78 C ATOM 1518 CZ PHE A 103 2.218 -0.464 4.179 1.00 0.86 C ATOM 0 H PHE A 103 5.853 4.069 1.502 1.00 0.15 H new ATOM 0 HA PHE A 103 5.563 3.746 4.428 1.00 0.17 H new ATOM 0 HB2 PHE A 103 3.447 4.044 3.533 1.00 0.18 H new ATOM 0 HB3 PHE A 103 3.877 3.356 1.979 1.00 0.18 H new ATOM 0 HD1 PHE A 103 3.896 0.940 1.641 1.00 0.51 H new ATOM 0 HD2 PHE A 103 2.693 2.649 5.349 1.00 0.55 H new ATOM 0 HE1 PHE A 103 2.875 -1.190 2.286 1.00 0.75 H new ATOM 0 HE2 PHE A 103 1.674 0.516 5.997 1.00 0.78 H new ATOM 0 HZ PHE A 103 1.771 -1.404 4.466 1.00 0.86 H new ATOM 1528 N THR A 104 6.096 1.230 4.423 1.00 0.17 N ATOM 1529 CA THR A 104 6.746 -0.060 4.445 1.00 0.19 C ATOM 1530 C THR A 104 6.125 -0.973 5.490 1.00 0.17 C ATOM 1531 O THR A 104 6.396 -0.832 6.682 1.00 0.18 O ATOM 1532 CB THR A 104 8.255 0.082 4.743 1.00 0.24 C ATOM 1533 OG1 THR A 104 8.898 0.875 3.735 1.00 0.31 O ATOM 1534 CG2 THR A 104 8.921 -1.280 4.821 1.00 0.26 C ATOM 0 H THR A 104 5.598 1.475 5.279 1.00 0.17 H new ATOM 0 HA THR A 104 6.611 -0.499 3.457 1.00 0.19 H new ATOM 0 HB THR A 104 8.358 0.580 5.707 1.00 0.24 H new ATOM 0 HG1 THR A 104 8.294 0.987 2.972 1.00 0.31 H new ATOM 0 HG21 THR A 104 9.983 -1.154 5.032 1.00 0.26 H new ATOM 0 HG22 THR A 104 8.460 -1.865 5.617 1.00 0.26 H new ATOM 0 HG23 THR A 104 8.799 -1.800 3.871 1.00 0.26 H new ATOM 1542 N VAL A 105 5.294 -1.903 5.053 1.00 0.17 N ATOM 1543 CA VAL A 105 4.890 -2.978 5.930 1.00 0.17 C ATOM 1544 C VAL A 105 5.619 -4.254 5.536 1.00 0.21 C ATOM 1545 O VAL A 105 5.732 -4.589 4.352 1.00 0.25 O ATOM 1546 CB VAL A 105 3.361 -3.213 5.933 1.00 0.20 C ATOM 1547 CG1 VAL A 105 2.870 -3.629 4.560 1.00 0.79 C ATOM 1548 CG2 VAL A 105 2.988 -4.253 6.980 1.00 0.88 C ATOM 0 H VAL A 105 4.895 -1.934 4.115 1.00 0.17 H new ATOM 0 HA VAL A 105 5.160 -2.688 6.945 1.00 0.17 H new ATOM 0 HB VAL A 105 2.872 -2.273 6.189 1.00 0.20 H new ATOM 0 HG11 VAL A 105 1.792 -3.787 4.592 1.00 0.79 H new ATOM 0 HG12 VAL A 105 3.101 -2.845 3.838 1.00 0.79 H new ATOM 0 HG13 VAL A 105 3.364 -4.554 4.262 1.00 0.79 H new ATOM 0 HG21 VAL A 105 1.909 -4.408 6.971 1.00 0.88 H new ATOM 0 HG22 VAL A 105 3.492 -5.193 6.755 1.00 0.88 H new ATOM 0 HG23 VAL A 105 3.296 -3.904 7.966 1.00 0.88 H new ATOM 1558 N TYR A 106 6.145 -4.935 6.528 1.00 0.24 N ATOM 1559 CA TYR A 106 6.822 -6.194 6.311 1.00 0.28 C ATOM 1560 C TYR A 106 5.920 -7.322 6.754 1.00 0.27 C ATOM 1561 O TYR A 106 5.762 -7.564 7.949 1.00 0.36 O ATOM 1562 CB TYR A 106 8.117 -6.273 7.107 1.00 0.38 C ATOM 1563 CG TYR A 106 9.182 -5.274 6.714 1.00 0.43 C ATOM 1564 CD1 TYR A 106 9.833 -5.383 5.492 1.00 0.48 C ATOM 1565 CD2 TYR A 106 9.522 -4.215 7.546 1.00 0.49 C ATOM 1566 CE1 TYR A 106 10.789 -4.465 5.108 1.00 0.56 C ATOM 1567 CE2 TYR A 106 10.482 -3.293 7.170 1.00 0.57 C ATOM 1568 CZ TYR A 106 11.176 -3.459 6.035 1.00 0.58 C ATOM 1569 OH TYR A 106 12.064 -2.504 5.564 1.00 0.70 O ATOM 0 H TYR A 106 6.117 -4.635 7.502 1.00 0.24 H new ATOM 0 HA TYR A 106 7.058 -6.273 5.250 1.00 0.28 H new ATOM 0 HB2 TYR A 106 7.884 -6.134 8.163 1.00 0.38 H new ATOM 0 HB3 TYR A 106 8.528 -7.277 7.001 1.00 0.38 H new ATOM 0 HD1 TYR A 106 9.587 -6.201 4.831 1.00 0.48 H new ATOM 0 HD2 TYR A 106 9.029 -4.110 8.501 1.00 0.49 H new ATOM 0 HE1 TYR A 106 11.234 -4.510 4.125 1.00 0.56 H new ATOM 0 HE2 TYR A 106 10.674 -2.433 7.795 1.00 0.57 H new ATOM 0 HH TYR A 106 12.263 -1.862 6.277 1.00 0.70 H new ATOM 1579 N LEU A 107 5.333 -8.012 5.806 1.00 0.26 N ATOM 1580 CA LEU A 107 4.385 -9.052 6.130 1.00 0.29 C ATOM 1581 C LEU A 107 4.749 -10.349 5.420 1.00 0.31 C ATOM 1582 O LEU A 107 5.409 -10.336 4.391 1.00 0.45 O ATOM 1583 CB LEU A 107 2.975 -8.591 5.756 1.00 0.39 C ATOM 1584 CG LEU A 107 2.722 -8.406 4.261 1.00 1.33 C ATOM 1585 CD1 LEU A 107 1.827 -9.507 3.723 1.00 2.12 C ATOM 1586 CD2 LEU A 107 2.108 -7.048 3.996 1.00 2.02 C ATOM 0 H LEU A 107 5.493 -7.874 4.808 1.00 0.26 H new ATOM 0 HA LEU A 107 4.415 -9.247 7.202 1.00 0.29 H new ATOM 0 HB2 LEU A 107 2.259 -9.317 6.141 1.00 0.39 H new ATOM 0 HB3 LEU A 107 2.774 -7.646 6.261 1.00 0.39 H new ATOM 0 HG LEU A 107 3.679 -8.464 3.743 1.00 1.33 H new ATOM 0 HD11 LEU A 107 1.662 -9.353 2.657 1.00 2.12 H new ATOM 0 HD12 LEU A 107 2.305 -10.474 3.880 1.00 2.12 H new ATOM 0 HD13 LEU A 107 0.870 -9.486 4.245 1.00 2.12 H new ATOM 0 HD21 LEU A 107 1.933 -6.930 2.927 1.00 2.02 H new ATOM 0 HD22 LEU A 107 1.161 -6.966 4.530 1.00 2.02 H new ATOM 0 HD23 LEU A 107 2.787 -6.268 4.341 1.00 2.02 H new ATOM 1598 N LYS A 108 4.344 -11.466 5.983 1.00 0.25 N ATOM 1599 CA LYS A 108 4.588 -12.756 5.359 1.00 0.26 C ATOM 1600 C LYS A 108 3.297 -13.262 4.744 1.00 0.24 C ATOM 1601 O LYS A 108 2.359 -13.558 5.469 1.00 0.29 O ATOM 1602 CB LYS A 108 5.087 -13.762 6.392 1.00 0.32 C ATOM 1603 CG LYS A 108 5.352 -15.140 5.814 1.00 0.45 C ATOM 1604 CD LYS A 108 6.717 -15.212 5.161 1.00 0.76 C ATOM 1605 CE LYS A 108 7.005 -16.600 4.607 1.00 1.34 C ATOM 1606 NZ LYS A 108 7.047 -17.634 5.673 1.00 1.89 N ATOM 0 H LYS A 108 3.844 -11.511 6.871 1.00 0.25 H new ATOM 0 HA LYS A 108 5.349 -12.640 4.588 1.00 0.26 H new ATOM 0 HB2 LYS A 108 6.004 -13.383 6.843 1.00 0.32 H new ATOM 0 HB3 LYS A 108 4.350 -13.847 7.191 1.00 0.32 H new ATOM 0 HG2 LYS A 108 5.285 -15.887 6.605 1.00 0.45 H new ATOM 0 HG3 LYS A 108 4.583 -15.383 5.081 1.00 0.45 H new ATOM 0 HD2 LYS A 108 6.774 -14.480 4.355 1.00 0.76 H new ATOM 0 HD3 LYS A 108 7.483 -14.945 5.889 1.00 0.76 H new ATOM 0 HE2 LYS A 108 6.239 -16.864 3.878 1.00 1.34 H new ATOM 0 HE3 LYS A 108 7.958 -16.587 4.078 1.00 1.34 H new ATOM 0 HZ1 LYS A 108 7.442 -18.515 5.287 1.00 1.89 H new ATOM 0 HZ2 LYS A 108 7.645 -17.301 6.456 1.00 1.89 H new ATOM 0 HZ3 LYS A 108 6.084 -17.811 6.023 1.00 1.89 H new ATOM 1620 N ALA A 109 3.266 -13.394 3.426 1.00 0.24 N ATOM 1621 CA ALA A 109 2.029 -13.712 2.727 1.00 0.28 C ATOM 1622 C ALA A 109 1.993 -15.178 2.338 1.00 0.34 C ATOM 1623 O ALA A 109 2.924 -15.689 1.736 1.00 0.53 O ATOM 1624 CB ALA A 109 1.863 -12.825 1.496 1.00 0.37 C ATOM 0 H ALA A 109 4.080 -13.286 2.821 1.00 0.24 H new ATOM 0 HA ALA A 109 1.197 -13.518 3.404 1.00 0.28 H new ATOM 0 HB1 ALA A 109 0.933 -13.078 0.988 1.00 0.37 H new ATOM 0 HB2 ALA A 109 1.836 -11.779 1.802 1.00 0.37 H new ATOM 0 HB3 ALA A 109 2.702 -12.983 0.818 1.00 0.37 H new ATOM 1630 N ASN A 110 0.924 -15.854 2.716 1.00 0.41 N ATOM 1631 CA ASN A 110 0.789 -17.277 2.451 1.00 0.54 C ATOM 1632 C ASN A 110 -0.673 -17.692 2.496 1.00 0.95 C ATOM 1633 O ASN A 110 -1.064 -18.568 1.692 1.00 1.35 O ATOM 1634 CB ASN A 110 1.616 -18.095 3.452 1.00 0.56 C ATOM 1635 CG ASN A 110 1.263 -17.798 4.899 1.00 0.80 C ATOM 1636 OD1 ASN A 110 0.419 -18.466 5.501 1.00 1.58 O ATOM 1637 ND2 ASN A 110 1.918 -16.799 5.474 1.00 0.56 N ATOM 1638 OXT ASN A 110 -1.430 -17.116 3.307 1.00 1.78 O ATOM 0 H ASN A 110 0.133 -15.440 3.209 1.00 0.41 H new ATOM 0 HA ASN A 110 1.171 -17.477 1.450 1.00 0.54 H new ATOM 0 HB2 ASN A 110 1.464 -19.157 3.258 1.00 0.56 H new ATOM 0 HB3 ASN A 110 2.675 -17.890 3.293 1.00 0.56 H new ATOM 0 HD21 ASN A 110 1.731 -16.560 6.448 1.00 0.56 H new ATOM 0 HD22 ASN A 110 2.609 -16.270 4.943 1.00 0.56 H new