USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 623 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 44 HIS : +bothHN:sc= 1.48 K(o=-0.6,f=-15!) USER MOD Set 1.2: A 60 GLN : amide:sc= -2.08! K(o=-0.6!,f=-1.9) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 71:sc= 0.925 USER MOD Single : A 13 ASN : amide:sc= -0.341 K(o=-0.34,f=-10!) USER MOD Single : A 17 SER OG : rot -69:sc= 1.3 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -75:sc= 1.27 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.57 F(o=-2.8!,f=-1.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0.165 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 1.17 K(o=1.2,f=-0.86) USER MOD Single : A 56 HIS : no HD1:sc= -0.211 X(o=-0.21,f=0.042) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0.444 K(o=0.44,f=-0.11) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0.415 X(o=0.41,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -56:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -7.894 -1.975 -3.684 1.00 2.01 N ATOM 58 CA GLU A 5 -9.122 -1.248 -4.010 1.00 1.95 C ATOM 59 C GLU A 5 -9.050 -0.647 -5.411 1.00 2.02 C ATOM 60 O GLU A 5 -8.552 0.464 -5.611 1.00 2.45 O ATOM 61 CB GLU A 5 -9.407 -0.164 -2.970 1.00 2.25 C ATOM 62 CG GLU A 5 -10.345 -0.625 -1.868 1.00 2.50 C ATOM 63 CD GLU A 5 -9.618 -1.295 -0.721 1.00 3.01 C ATOM 64 OE1 GLU A 5 -8.826 -2.228 -0.968 1.00 3.47 O ATOM 65 OE2 GLU A 5 -9.842 -0.892 0.439 1.00 3.44 O ATOM 0 HA GLU A 5 -9.946 -1.962 -3.992 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -8.466 0.160 -2.525 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -9.840 0.703 -3.468 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -10.901 0.232 -1.488 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -11.075 -1.319 -2.285 1.00 2.50 H new ATOM 72 N ALA A 6 -9.559 -1.396 -6.378 1.00 1.93 N ATOM 73 CA ALA A 6 -9.514 -0.985 -7.771 1.00 2.21 C ATOM 74 C ALA A 6 -10.619 0.014 -8.079 1.00 1.87 C ATOM 75 O ALA A 6 -11.798 -0.253 -7.842 1.00 2.34 O ATOM 76 CB ALA A 6 -9.629 -2.198 -8.680 1.00 3.01 C ATOM 0 H ALA A 6 -10.010 -2.297 -6.221 1.00 1.93 H new ATOM 0 HA ALA A 6 -8.556 -0.497 -7.953 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -9.594 -1.877 -9.721 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -8.802 -2.880 -8.483 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -10.573 -2.708 -8.489 1.00 3.01 H new ATOM 82 N GLN A 7 -10.237 1.165 -8.609 1.00 1.57 N ATOM 83 CA GLN A 7 -11.197 2.191 -8.989 1.00 1.65 C ATOM 84 C GLN A 7 -11.819 1.860 -10.344 1.00 1.53 C ATOM 85 O GLN A 7 -11.713 2.629 -11.300 1.00 1.80 O ATOM 86 CB GLN A 7 -10.522 3.562 -9.033 1.00 2.14 C ATOM 87 CG GLN A 7 -10.247 4.145 -7.657 1.00 2.64 C ATOM 88 CD GLN A 7 -11.209 5.256 -7.292 1.00 3.04 C ATOM 89 OE1 GLN A 7 -11.050 6.398 -7.723 1.00 3.51 O ATOM 90 NE2 GLN A 7 -12.214 4.931 -6.497 1.00 3.49 N ATOM 0 H GLN A 7 -9.264 1.414 -8.787 1.00 1.57 H new ATOM 0 HA GLN A 7 -11.989 2.219 -8.241 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -9.582 3.478 -9.578 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -11.154 4.252 -9.592 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -10.313 3.353 -6.911 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -9.227 4.528 -7.626 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -12.310 3.972 -6.162 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -12.894 5.639 -6.219 1.00 3.49 H new ATOM 99 N TYR A 8 -12.453 0.700 -10.416 1.00 1.48 N ATOM 100 CA TYR A 8 -13.124 0.262 -11.627 1.00 1.47 C ATOM 101 C TYR A 8 -14.424 -0.450 -11.272 1.00 1.56 C ATOM 102 O TYR A 8 -15.442 0.207 -11.080 1.00 2.27 O ATOM 103 CB TYR A 8 -12.217 -0.656 -12.450 1.00 1.61 C ATOM 104 CG TYR A 8 -12.203 -0.317 -13.921 1.00 1.62 C ATOM 105 CD1 TYR A 8 -11.400 0.705 -14.408 1.00 1.71 C ATOM 106 CD2 TYR A 8 -12.997 -1.016 -14.824 1.00 1.79 C ATOM 107 CE1 TYR A 8 -11.389 1.024 -15.752 1.00 1.89 C ATOM 108 CE2 TYR A 8 -12.989 -0.705 -16.169 1.00 2.00 C ATOM 109 CZ TYR A 8 -12.183 0.315 -16.628 1.00 2.01 C ATOM 110 OH TYR A 8 -12.174 0.637 -17.967 1.00 2.32 O ATOM 0 H TYR A 8 -12.516 0.040 -9.641 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.355 1.138 -12.233 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.201 -0.596 -12.060 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.546 -1.688 -12.325 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -10.774 1.260 -13.725 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -13.630 -1.815 -14.467 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -10.762 1.825 -16.115 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -13.611 -1.258 -16.858 1.00 2.00 H new ATOM 0 HH TYR A 8 -12.786 0.044 -18.450 1.00 2.32 H new ATOM 120 N VAL A 9 -14.355 -1.788 -11.166 1.00 1.35 N ATOM 121 CA VAL A 9 -15.490 -2.643 -10.773 1.00 1.47 C ATOM 122 C VAL A 9 -16.845 -2.093 -11.259 1.00 1.51 C ATOM 123 O VAL A 9 -17.735 -1.757 -10.476 1.00 2.13 O ATOM 124 CB VAL A 9 -15.491 -2.909 -9.237 1.00 1.74 C ATOM 125 CG1 VAL A 9 -15.663 -1.629 -8.427 1.00 2.00 C ATOM 126 CG2 VAL A 9 -16.548 -3.939 -8.859 1.00 2.05 C ATOM 0 H VAL A 9 -13.500 -2.313 -11.353 1.00 1.35 H new ATOM 0 HA VAL A 9 -15.353 -3.600 -11.277 1.00 1.47 H new ATOM 0 HB VAL A 9 -14.511 -3.315 -8.987 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -15.657 -1.868 -7.364 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -14.844 -0.945 -8.650 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -16.611 -1.158 -8.688 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -16.526 -4.105 -7.782 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -17.533 -3.573 -9.150 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.343 -4.877 -9.375 1.00 2.05 H new ATOM 136 N ALA A 10 -16.993 -2.004 -12.572 1.00 1.41 N ATOM 137 CA ALA A 10 -18.211 -1.471 -13.161 1.00 1.50 C ATOM 138 C ALA A 10 -18.929 -2.542 -13.976 1.00 1.34 C ATOM 139 O ALA A 10 -18.540 -2.840 -15.105 1.00 1.73 O ATOM 140 CB ALA A 10 -17.898 -0.258 -14.027 1.00 2.09 C ATOM 0 H ALA A 10 -16.286 -2.293 -13.248 1.00 1.41 H new ATOM 0 HA ALA A 10 -18.873 -1.156 -12.354 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -18.821 0.128 -14.460 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -17.433 0.515 -13.416 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -17.216 -0.548 -14.826 1.00 2.09 H new ATOM 146 N PRO A 11 -19.981 -3.144 -13.403 1.00 1.24 N ATOM 147 CA PRO A 11 -20.762 -4.191 -14.064 1.00 1.52 C ATOM 148 C PRO A 11 -21.687 -3.634 -15.143 1.00 1.50 C ATOM 149 O PRO A 11 -22.320 -2.590 -14.961 1.00 1.83 O ATOM 150 CB PRO A 11 -21.591 -4.810 -12.925 1.00 1.87 C ATOM 151 CG PRO A 11 -21.075 -4.194 -11.664 1.00 1.88 C ATOM 152 CD PRO A 11 -20.496 -2.869 -12.060 1.00 1.45 C ATOM 0 HA PRO A 11 -20.117 -4.906 -14.575 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.653 -4.601 -13.056 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -21.479 -5.894 -12.905 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -21.875 -4.068 -10.935 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -20.319 -4.828 -11.201 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -21.249 -2.081 -12.066 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.707 -2.550 -11.379 1.00 1.45 H new ATOM 160 N THR A 12 -21.766 -4.344 -16.257 1.00 1.33 N ATOM 161 CA THR A 12 -22.614 -3.951 -17.370 1.00 1.44 C ATOM 162 C THR A 12 -24.004 -4.556 -17.213 1.00 1.40 C ATOM 163 O THR A 12 -25.018 -3.864 -17.335 1.00 1.90 O ATOM 164 CB THR A 12 -22.001 -4.420 -18.703 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.695 -4.971 -18.463 1.00 1.79 O ATOM 166 CG2 THR A 12 -21.908 -3.271 -19.701 1.00 2.04 C ATOM 0 H THR A 12 -21.245 -5.207 -16.415 1.00 1.33 H new ATOM 0 HA THR A 12 -22.692 -2.864 -17.374 1.00 1.44 H new ATOM 0 HB THR A 12 -22.649 -5.185 -19.131 1.00 1.69 H new ATOM 0 HG1 THR A 12 -20.782 -5.826 -17.991 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.472 -3.632 -20.632 1.00 2.04 H new ATOM 0 HG22 THR A 12 -22.905 -2.877 -19.897 1.00 2.04 H new ATOM 0 HG23 THR A 12 -21.280 -2.481 -19.289 1.00 2.04 H new ATOM 174 N ASN A 13 -24.031 -5.845 -16.905 1.00 1.11 N ATOM 175 CA ASN A 13 -25.274 -6.590 -16.759 1.00 1.23 C ATOM 176 C ASN A 13 -25.585 -6.796 -15.272 1.00 1.03 C ATOM 177 O ASN A 13 -24.671 -6.872 -14.451 1.00 1.32 O ATOM 178 CB ASN A 13 -25.139 -7.924 -17.515 1.00 1.71 C ATOM 179 CG ASN A 13 -26.062 -9.019 -17.023 1.00 1.80 C ATOM 180 OD1 ASN A 13 -25.772 -9.689 -16.038 1.00 2.19 O ATOM 181 ND2 ASN A 13 -27.171 -9.221 -17.712 1.00 2.24 N ATOM 0 H ASN A 13 -23.192 -6.404 -16.749 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.109 -6.036 -17.187 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -25.334 -7.749 -18.573 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.109 -8.271 -17.434 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -27.820 -9.955 -17.430 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -27.378 -8.643 -18.526 1.00 2.24 H new ATOM 188 N ALA A 14 -26.868 -6.870 -14.924 1.00 1.04 N ATOM 189 CA ALA A 14 -27.287 -6.936 -13.520 1.00 1.05 C ATOM 190 C ALA A 14 -26.745 -8.179 -12.811 1.00 0.96 C ATOM 191 O ALA A 14 -26.376 -8.122 -11.635 1.00 0.91 O ATOM 192 CB ALA A 14 -28.803 -6.890 -13.418 1.00 1.42 C ATOM 0 H ALA A 14 -27.638 -6.886 -15.593 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.865 -6.066 -13.016 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -29.099 -6.940 -12.370 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -29.169 -5.961 -13.855 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -29.230 -7.736 -13.956 1.00 1.42 H new ATOM 198 N VAL A 15 -26.687 -9.292 -13.529 1.00 1.05 N ATOM 199 CA VAL A 15 -26.190 -10.545 -12.972 1.00 1.12 C ATOM 200 C VAL A 15 -24.688 -10.450 -12.694 1.00 0.97 C ATOM 201 O VAL A 15 -24.176 -11.091 -11.772 1.00 0.96 O ATOM 202 CB VAL A 15 -26.514 -11.745 -13.907 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.267 -12.519 -14.324 1.00 1.45 C ATOM 204 CG2 VAL A 15 -27.512 -12.675 -13.238 1.00 1.99 C ATOM 0 H VAL A 15 -26.980 -9.354 -14.504 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.701 -10.722 -12.025 1.00 1.12 H new ATOM 0 HB VAL A 15 -26.951 -11.333 -14.817 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -25.552 -13.345 -14.975 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -24.588 -11.854 -14.857 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -24.769 -12.912 -13.437 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -27.731 -13.511 -13.902 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.090 -13.052 -12.306 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -28.432 -12.130 -13.025 1.00 1.99 H new ATOM 214 N GLU A 16 -23.995 -9.631 -13.481 1.00 0.95 N ATOM 215 CA GLU A 16 -22.580 -9.372 -13.252 1.00 0.94 C ATOM 216 C GLU A 16 -22.384 -8.764 -11.871 1.00 0.83 C ATOM 217 O GLU A 16 -21.446 -9.110 -11.156 1.00 0.86 O ATOM 218 CB GLU A 16 -22.019 -8.423 -14.313 1.00 1.06 C ATOM 219 CG GLU A 16 -21.874 -9.052 -15.690 1.00 1.37 C ATOM 220 CD GLU A 16 -21.103 -8.173 -16.656 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.460 -6.983 -16.797 1.00 1.53 O ATOM 222 OE2 GLU A 16 -20.149 -8.673 -17.287 1.00 1.93 O ATOM 0 H GLU A 16 -24.391 -9.137 -14.281 1.00 0.95 H new ATOM 0 HA GLU A 16 -22.045 -10.319 -13.316 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -22.671 -7.553 -14.389 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -21.044 -8.063 -13.985 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -21.367 -10.012 -15.595 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -22.864 -9.253 -16.099 1.00 1.37 H new ATOM 229 N SER A 17 -23.289 -7.867 -11.495 1.00 0.83 N ATOM 230 CA SER A 17 -23.247 -7.246 -10.183 1.00 0.89 C ATOM 231 C SER A 17 -23.572 -8.270 -9.102 1.00 0.85 C ATOM 232 O SER A 17 -22.973 -8.255 -8.035 1.00 0.88 O ATOM 233 CB SER A 17 -24.227 -6.071 -10.115 1.00 1.09 C ATOM 234 OG SER A 17 -23.700 -5.010 -9.332 1.00 1.48 O ATOM 0 H SER A 17 -24.061 -7.555 -12.084 1.00 0.83 H new ATOM 0 HA SER A 17 -22.240 -6.866 -10.012 1.00 0.89 H new ATOM 0 HB2 SER A 17 -24.440 -5.713 -11.122 1.00 1.09 H new ATOM 0 HB3 SER A 17 -25.173 -6.406 -9.689 1.00 1.09 H new ATOM 0 HG SER A 17 -23.664 -5.284 -8.392 1.00 1.48 H new ATOM 240 N LYS A 18 -24.508 -9.166 -9.394 1.00 0.85 N ATOM 241 CA LYS A 18 -24.895 -10.202 -8.443 1.00 0.92 C ATOM 242 C LYS A 18 -23.706 -11.098 -8.122 1.00 0.84 C ATOM 243 O LYS A 18 -23.431 -11.396 -6.958 1.00 0.85 O ATOM 244 CB LYS A 18 -26.046 -11.044 -9.002 1.00 1.07 C ATOM 245 CG LYS A 18 -27.125 -11.360 -7.981 1.00 1.38 C ATOM 246 CD LYS A 18 -27.301 -12.859 -7.800 1.00 1.76 C ATOM 247 CE LYS A 18 -26.721 -13.333 -6.477 1.00 2.42 C ATOM 248 NZ LYS A 18 -27.765 -13.482 -5.430 1.00 2.96 N ATOM 0 H LYS A 18 -25.012 -9.196 -10.280 1.00 0.85 H new ATOM 0 HA LYS A 18 -25.230 -9.716 -7.527 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.497 -10.515 -9.842 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.644 -11.979 -9.393 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -26.867 -10.905 -7.025 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -28.069 -10.918 -8.299 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -28.361 -13.110 -7.844 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -26.814 -13.385 -8.621 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -26.217 -14.288 -6.624 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -25.966 -12.623 -6.138 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -27.325 -13.807 -4.545 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -28.229 -12.565 -5.270 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -28.472 -14.178 -5.741 1.00 2.96 H new ATOM 262 N LEU A 19 -22.999 -11.509 -9.163 1.00 0.82 N ATOM 263 CA LEU A 19 -21.846 -12.381 -9.014 1.00 0.84 C ATOM 264 C LEU A 19 -20.710 -11.665 -8.294 1.00 0.80 C ATOM 265 O LEU A 19 -20.203 -12.150 -7.281 1.00 0.82 O ATOM 266 CB LEU A 19 -21.371 -12.866 -10.381 1.00 0.96 C ATOM 267 CG LEU A 19 -21.666 -14.333 -10.689 1.00 1.16 C ATOM 268 CD1 LEU A 19 -23.138 -14.521 -11.023 1.00 1.73 C ATOM 269 CD2 LEU A 19 -20.795 -14.820 -11.834 1.00 1.81 C ATOM 0 H LEU A 19 -23.206 -11.250 -10.127 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.147 -13.240 -8.414 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.837 -12.249 -11.150 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.295 -12.706 -10.452 1.00 0.96 H new ATOM 0 HG LEU A 19 -21.435 -14.925 -9.803 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -23.331 -15.572 -11.240 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -23.746 -14.208 -10.174 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -23.393 -13.918 -11.894 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -21.018 -15.867 -12.041 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -20.997 -14.224 -12.724 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -19.745 -14.720 -11.560 1.00 1.81 H new ATOM 281 N ALA A 20 -20.337 -10.503 -8.814 1.00 0.82 N ATOM 282 CA ALA A 20 -19.204 -9.754 -8.291 1.00 0.91 C ATOM 283 C ALA A 20 -19.421 -9.321 -6.847 1.00 0.84 C ATOM 284 O ALA A 20 -18.514 -9.427 -6.026 1.00 0.87 O ATOM 285 CB ALA A 20 -18.926 -8.541 -9.164 1.00 1.08 C ATOM 0 H ALA A 20 -20.806 -10.057 -9.602 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.340 -10.418 -8.308 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -18.076 -7.990 -8.761 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -18.699 -8.867 -10.179 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -19.804 -7.895 -9.179 1.00 1.08 H new ATOM 291 N GLU A 21 -20.619 -8.839 -6.539 1.00 0.85 N ATOM 292 CA GLU A 21 -20.917 -8.335 -5.203 1.00 0.94 C ATOM 293 C GLU A 21 -20.808 -9.440 -4.163 1.00 0.84 C ATOM 294 O GLU A 21 -20.086 -9.299 -3.181 1.00 0.85 O ATOM 295 CB GLU A 21 -22.314 -7.717 -5.159 1.00 1.13 C ATOM 296 CG GLU A 21 -22.330 -6.236 -5.498 1.00 1.72 C ATOM 297 CD GLU A 21 -23.732 -5.681 -5.602 1.00 2.05 C ATOM 298 OE1 GLU A 21 -24.439 -5.635 -4.571 1.00 2.14 O ATOM 299 OE2 GLU A 21 -24.141 -5.293 -6.716 1.00 2.69 O ATOM 0 H GLU A 21 -21.399 -8.786 -7.194 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.181 -7.566 -4.968 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -22.961 -8.249 -5.857 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -22.735 -7.859 -4.164 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -21.781 -5.686 -4.734 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -21.809 -6.077 -6.442 1.00 1.72 H new ATOM 306 N ILE A 22 -21.514 -10.540 -4.392 1.00 0.83 N ATOM 307 CA ILE A 22 -21.518 -11.655 -3.453 1.00 0.91 C ATOM 308 C ILE A 22 -20.107 -12.192 -3.229 1.00 0.82 C ATOM 309 O ILE A 22 -19.672 -12.358 -2.092 1.00 0.86 O ATOM 310 CB ILE A 22 -22.441 -12.799 -3.937 1.00 1.09 C ATOM 311 CG1 ILE A 22 -23.904 -12.338 -3.930 1.00 1.25 C ATOM 312 CG2 ILE A 22 -22.266 -14.042 -3.070 1.00 1.40 C ATOM 313 CD1 ILE A 22 -24.402 -11.890 -2.571 1.00 1.91 C ATOM 0 H ILE A 22 -22.092 -10.684 -5.220 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.904 -11.274 -2.507 1.00 0.91 H new ATOM 0 HB ILE A 22 -22.161 -13.058 -4.958 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -24.019 -11.516 -4.637 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -24.533 -13.154 -4.285 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -22.925 -14.832 -3.430 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -21.231 -14.380 -3.123 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -22.517 -13.803 -2.036 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -25.444 -11.580 -2.649 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -24.322 -12.716 -1.864 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -23.799 -11.052 -2.221 1.00 1.91 H new ATOM 325 N TRP A 23 -19.383 -12.419 -4.312 1.00 0.79 N ATOM 326 CA TRP A 23 -18.051 -12.999 -4.221 1.00 0.84 C ATOM 327 C TRP A 23 -17.064 -12.044 -3.550 1.00 0.82 C ATOM 328 O TRP A 23 -16.406 -12.402 -2.572 1.00 0.94 O ATOM 329 CB TRP A 23 -17.547 -13.374 -5.612 1.00 0.90 C ATOM 330 CG TRP A 23 -17.847 -14.793 -5.998 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.691 -15.213 -6.985 1.00 1.26 C ATOM 332 CD2 TRP A 23 -17.297 -15.981 -5.409 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.699 -16.586 -7.047 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.850 -17.079 -6.095 1.00 1.14 C ATOM 335 CE3 TRP A 23 -16.386 -16.222 -4.375 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -17.527 -18.395 -5.776 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -16.065 -17.530 -4.061 1.00 1.16 C ATOM 338 CH2 TRP A 23 -16.633 -18.601 -4.762 1.00 1.24 C ATOM 0 H TRP A 23 -19.692 -12.212 -5.262 1.00 0.79 H new ATOM 0 HA TRP A 23 -18.121 -13.895 -3.604 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.997 -12.704 -6.345 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -16.469 -13.215 -5.654 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.268 -14.561 -7.624 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.249 -17.147 -7.698 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -15.941 -15.401 -3.832 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.967 -19.224 -6.310 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -15.365 -17.729 -3.263 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -16.359 -19.611 -4.496 1.00 1.24 H new ATOM 349 N GLU A 24 -16.975 -10.826 -4.065 1.00 0.80 N ATOM 350 CA GLU A 24 -15.984 -9.870 -3.596 1.00 0.93 C ATOM 351 C GLU A 24 -16.322 -9.342 -2.204 1.00 0.90 C ATOM 352 O GLU A 24 -15.500 -9.408 -1.301 1.00 1.04 O ATOM 353 CB GLU A 24 -15.861 -8.709 -4.582 1.00 1.20 C ATOM 354 CG GLU A 24 -15.044 -7.544 -4.054 1.00 1.75 C ATOM 355 CD GLU A 24 -13.557 -7.712 -4.290 1.00 2.29 C ATOM 356 OE1 GLU A 24 -13.152 -7.846 -5.462 1.00 2.65 O ATOM 357 OE2 GLU A 24 -12.788 -7.667 -3.307 1.00 2.78 O ATOM 0 H GLU A 24 -17.579 -10.477 -4.809 1.00 0.80 H new ATOM 0 HA GLU A 24 -15.029 -10.391 -3.531 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -15.405 -9.073 -5.503 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -16.859 -8.354 -4.839 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -15.381 -6.624 -4.532 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -15.227 -7.433 -2.985 1.00 1.75 H new ATOM 364 N ARG A 25 -17.533 -8.850 -2.012 1.00 0.97 N ATOM 365 CA ARG A 25 -17.876 -8.174 -0.765 1.00 1.16 C ATOM 366 C ARG A 25 -18.107 -9.170 0.377 1.00 1.21 C ATOM 367 O ARG A 25 -18.374 -8.779 1.515 1.00 1.50 O ATOM 368 CB ARG A 25 -19.081 -7.241 -0.979 1.00 1.41 C ATOM 369 CG ARG A 25 -20.408 -7.754 -0.441 1.00 1.99 C ATOM 370 CD ARG A 25 -21.309 -6.605 -0.013 1.00 2.67 C ATOM 371 NE ARG A 25 -22.179 -6.147 -1.100 1.00 3.12 N ATOM 372 CZ ARG A 25 -22.605 -4.891 -1.231 1.00 3.67 C ATOM 373 NH1 ARG A 25 -22.257 -3.981 -0.329 1.00 3.90 N ATOM 374 NH2 ARG A 25 -23.385 -4.542 -2.253 1.00 4.40 N ATOM 0 H ARG A 25 -18.291 -8.903 -2.693 1.00 0.97 H new ATOM 0 HA ARG A 25 -17.028 -7.559 -0.463 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -18.864 -6.282 -0.509 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -19.189 -7.055 -2.047 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -20.909 -8.347 -1.206 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -20.229 -8.415 0.407 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -21.922 -6.921 0.831 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -20.695 -5.774 0.333 1.00 2.67 H new ATOM 0 HE ARG A 25 -22.476 -6.830 -1.797 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -21.666 -4.245 0.460 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -22.580 -3.018 -0.425 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -23.662 -5.239 -2.945 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -23.706 -3.578 -2.344 1.00 4.40 H new ATOM 388 N VAL A 26 -17.982 -10.458 0.080 1.00 1.11 N ATOM 389 CA VAL A 26 -18.051 -11.479 1.117 1.00 1.34 C ATOM 390 C VAL A 26 -16.669 -12.095 1.366 1.00 1.36 C ATOM 391 O VAL A 26 -16.264 -12.285 2.516 1.00 1.78 O ATOM 392 CB VAL A 26 -19.078 -12.584 0.759 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.800 -13.879 1.514 1.00 2.01 C ATOM 394 CG2 VAL A 26 -20.494 -12.102 1.043 1.00 1.66 C ATOM 0 H VAL A 26 -17.833 -10.818 -0.863 1.00 1.11 H new ATOM 0 HA VAL A 26 -18.387 -10.993 2.033 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.978 -12.794 -0.306 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -19.541 -14.628 1.236 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -17.804 -14.242 1.260 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.856 -13.694 2.587 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -21.204 -12.888 0.787 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -20.590 -11.857 2.101 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.703 -11.215 0.445 1.00 1.66 H new ATOM 404 N LEU A 27 -15.937 -12.385 0.296 1.00 1.20 N ATOM 405 CA LEU A 27 -14.632 -13.028 0.425 1.00 1.40 C ATOM 406 C LEU A 27 -13.487 -12.050 0.160 1.00 1.42 C ATOM 407 O LEU A 27 -12.576 -11.931 0.973 1.00 1.89 O ATOM 408 CB LEU A 27 -14.529 -14.228 -0.519 1.00 1.51 C ATOM 409 CG LEU A 27 -13.994 -15.510 0.124 1.00 2.02 C ATOM 410 CD1 LEU A 27 -15.035 -16.118 1.053 1.00 2.17 C ATOM 411 CD2 LEU A 27 -13.584 -16.510 -0.942 1.00 2.85 C ATOM 0 H LEU A 27 -16.221 -12.188 -0.664 1.00 1.20 H new ATOM 0 HA LEU A 27 -14.541 -13.375 1.454 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -15.516 -14.431 -0.933 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -13.882 -13.960 -1.354 1.00 1.51 H new ATOM 0 HG LEU A 27 -13.114 -15.255 0.714 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -14.636 -17.028 1.500 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -15.281 -15.405 1.840 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -15.934 -16.357 0.485 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -13.206 -17.415 -0.466 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -14.447 -16.758 -1.559 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -12.804 -16.076 -1.567 1.00 2.85 H new ATOM 423 N GLY A 28 -13.544 -11.356 -0.973 1.00 1.29 N ATOM 424 CA GLY A 28 -12.474 -10.442 -1.355 1.00 1.52 C ATOM 425 C GLY A 28 -12.272 -9.314 -0.357 1.00 1.37 C ATOM 426 O GLY A 28 -11.133 -8.990 -0.001 1.00 1.73 O ATOM 0 H GLY A 28 -14.315 -11.409 -1.639 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.544 -11.002 -1.455 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.698 -10.018 -2.334 1.00 1.52 H new ATOM 430 N VAL A 29 -13.382 -8.712 0.076 1.00 1.31 N ATOM 431 CA VAL A 29 -13.387 -7.656 1.092 1.00 1.31 C ATOM 432 C VAL A 29 -12.929 -6.312 0.518 1.00 1.43 C ATOM 433 O VAL A 29 -13.623 -5.303 0.663 1.00 1.90 O ATOM 434 CB VAL A 29 -12.523 -8.038 2.322 1.00 1.49 C ATOM 435 CG1 VAL A 29 -12.231 -6.827 3.200 1.00 1.78 C ATOM 436 CG2 VAL A 29 -13.210 -9.128 3.132 1.00 1.92 C ATOM 0 H VAL A 29 -14.312 -8.946 -0.272 1.00 1.31 H new ATOM 0 HA VAL A 29 -14.420 -7.549 1.423 1.00 1.31 H new ATOM 0 HB VAL A 29 -11.570 -8.417 1.954 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -11.624 -7.133 4.052 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -11.691 -6.079 2.620 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -13.169 -6.402 3.557 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -12.592 -9.386 3.992 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.180 -8.769 3.476 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.351 -10.011 2.508 1.00 1.92 H new ATOM 446 N SER A 30 -11.780 -6.312 -0.145 1.00 1.40 N ATOM 447 CA SER A 30 -11.184 -5.089 -0.664 1.00 1.56 C ATOM 448 C SER A 30 -12.132 -4.346 -1.606 1.00 1.53 C ATOM 449 O SER A 30 -12.437 -3.172 -1.392 1.00 2.21 O ATOM 450 CB SER A 30 -9.874 -5.410 -1.384 1.00 1.76 C ATOM 451 OG SER A 30 -8.766 -4.856 -0.696 1.00 1.94 O ATOM 0 H SER A 30 -11.238 -7.154 -0.337 1.00 1.40 H new ATOM 0 HA SER A 30 -10.984 -4.434 0.184 1.00 1.56 H new ATOM 0 HB2 SER A 30 -9.754 -6.490 -1.463 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.908 -5.018 -2.400 1.00 1.76 H new ATOM 0 HG SER A 30 -8.731 -3.890 -0.856 1.00 1.94 H new ATOM 457 N GLY A 31 -12.614 -5.030 -2.627 1.00 1.30 N ATOM 458 CA GLY A 31 -13.441 -4.374 -3.615 1.00 1.27 C ATOM 459 C GLY A 31 -12.693 -4.136 -4.908 1.00 1.21 C ATOM 460 O GLY A 31 -12.552 -2.998 -5.355 1.00 1.58 O ATOM 0 H GLY A 31 -12.449 -6.023 -2.790 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.323 -4.983 -3.813 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -13.794 -3.422 -3.219 1.00 1.27 H new ATOM 464 N ILE A 32 -12.196 -5.214 -5.498 1.00 1.13 N ATOM 465 CA ILE A 32 -11.488 -5.143 -6.765 1.00 1.29 C ATOM 466 C ILE A 32 -12.472 -5.320 -7.911 1.00 1.38 C ATOM 467 O ILE A 32 -12.542 -4.488 -8.819 1.00 2.01 O ATOM 468 CB ILE A 32 -10.384 -6.223 -6.861 1.00 1.71 C ATOM 469 CG1 ILE A 32 -9.507 -6.210 -5.602 1.00 2.68 C ATOM 470 CG2 ILE A 32 -9.537 -6.018 -8.109 1.00 2.03 C ATOM 471 CD1 ILE A 32 -8.687 -4.946 -5.434 1.00 3.56 C ATOM 0 H ILE A 32 -12.272 -6.156 -5.114 1.00 1.13 H new ATOM 0 HA ILE A 32 -11.011 -4.165 -6.829 1.00 1.29 H new ATOM 0 HB ILE A 32 -10.865 -7.199 -6.934 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -10.144 -6.336 -4.727 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -8.833 -7.066 -5.632 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -8.767 -6.788 -8.157 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -10.171 -6.083 -8.994 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -9.066 -5.036 -8.072 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -8.095 -5.015 -4.521 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -8.022 -4.827 -6.290 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -9.353 -4.086 -5.370 1.00 3.56 H new ATOM 483 N GLY A 33 -13.245 -6.400 -7.840 1.00 1.59 N ATOM 484 CA GLY A 33 -14.252 -6.677 -8.846 1.00 1.93 C ATOM 485 C GLY A 33 -13.688 -6.744 -10.251 1.00 1.81 C ATOM 486 O GLY A 33 -12.854 -7.597 -10.553 1.00 2.28 O ATOM 0 H GLY A 33 -13.189 -7.094 -7.095 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -14.740 -7.623 -8.612 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -15.019 -5.904 -8.806 1.00 1.93 H new ATOM 490 N ILE A 34 -14.134 -5.831 -11.108 1.00 1.73 N ATOM 491 CA ILE A 34 -13.708 -5.813 -12.504 1.00 1.78 C ATOM 492 C ILE A 34 -12.352 -5.131 -12.655 1.00 1.93 C ATOM 493 O ILE A 34 -12.275 -3.918 -12.865 1.00 2.58 O ATOM 494 CB ILE A 34 -14.736 -5.099 -13.415 1.00 1.94 C ATOM 495 CG1 ILE A 34 -16.162 -5.580 -13.101 1.00 2.07 C ATOM 496 CG2 ILE A 34 -14.400 -5.335 -14.882 1.00 2.43 C ATOM 497 CD1 ILE A 34 -16.428 -7.020 -13.499 1.00 2.67 C ATOM 0 H ILE A 34 -14.792 -5.092 -10.860 1.00 1.73 H new ATOM 0 HA ILE A 34 -13.630 -6.854 -12.817 1.00 1.78 H new ATOM 0 HB ILE A 34 -14.686 -4.028 -13.219 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -16.345 -5.469 -12.032 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -16.874 -4.934 -13.615 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -15.132 -4.827 -15.509 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -13.405 -4.943 -15.095 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -14.422 -6.404 -15.093 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -17.455 -7.284 -13.245 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -16.279 -7.134 -14.573 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -15.742 -7.678 -12.965 1.00 2.67 H new ATOM 509 N LEU A 35 -11.297 -5.919 -12.513 1.00 1.70 N ATOM 510 CA LEU A 35 -9.932 -5.459 -12.730 1.00 1.89 C ATOM 511 C LEU A 35 -9.005 -6.661 -12.826 1.00 1.85 C ATOM 512 O LEU A 35 -7.812 -6.563 -12.536 1.00 2.19 O ATOM 513 CB LEU A 35 -9.484 -4.539 -11.585 1.00 2.03 C ATOM 514 CG LEU A 35 -8.769 -3.246 -12.001 1.00 1.96 C ATOM 515 CD1 LEU A 35 -7.274 -3.365 -11.754 1.00 2.44 C ATOM 516 CD2 LEU A 35 -9.037 -2.911 -13.462 1.00 2.46 C ATOM 0 H LEU A 35 -11.363 -6.900 -12.243 1.00 1.70 H new ATOM 0 HA LEU A 35 -9.892 -4.892 -13.660 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -10.361 -4.272 -10.996 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -8.820 -5.104 -10.931 1.00 2.03 H new ATOM 0 HG LEU A 35 -9.165 -2.434 -11.391 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -6.781 -2.440 -12.054 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -7.094 -3.545 -10.694 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -6.874 -4.195 -12.336 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -8.517 -1.990 -13.725 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -8.678 -3.724 -14.093 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -10.108 -2.779 -13.614 1.00 2.46 H new ATOM 528 N ASP A 36 -9.589 -7.793 -13.250 1.00 1.95 N ATOM 529 CA ASP A 36 -8.909 -9.099 -13.304 1.00 2.14 C ATOM 530 C ASP A 36 -7.979 -9.313 -12.101 1.00 1.49 C ATOM 531 O ASP A 36 -8.265 -8.821 -11.006 1.00 1.80 O ATOM 532 CB ASP A 36 -8.169 -9.305 -14.643 1.00 3.20 C ATOM 533 CG ASP A 36 -7.036 -8.329 -14.893 1.00 3.75 C ATOM 534 OD1 ASP A 36 -7.312 -7.198 -15.334 1.00 4.20 O ATOM 535 OD2 ASP A 36 -5.870 -8.673 -14.601 1.00 4.01 O ATOM 0 H ASP A 36 -10.557 -7.829 -13.569 1.00 1.95 H new ATOM 0 HA ASP A 36 -9.685 -9.862 -13.245 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -7.771 -10.319 -14.671 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -8.889 -9.223 -15.458 1.00 3.20 H new ATOM 540 N ASN A 37 -6.915 -10.091 -12.302 1.00 1.38 N ATOM 541 CA ASN A 37 -5.892 -10.351 -11.277 1.00 1.74 C ATOM 542 C ASN A 37 -6.435 -11.104 -10.059 1.00 1.40 C ATOM 543 O ASN A 37 -6.098 -12.265 -9.841 1.00 1.90 O ATOM 544 CB ASN A 37 -5.218 -9.048 -10.830 1.00 2.65 C ATOM 545 CG ASN A 37 -3.757 -9.256 -10.486 1.00 3.55 C ATOM 546 OD1 ASN A 37 -3.405 -9.533 -9.336 1.00 4.12 O ATOM 547 ND2 ASN A 37 -2.894 -9.128 -11.483 1.00 4.13 N ATOM 0 H ASN A 37 -6.733 -10.565 -13.187 1.00 1.38 H new ATOM 0 HA ASN A 37 -5.153 -10.998 -11.749 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -5.302 -8.305 -11.623 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -5.742 -8.648 -9.962 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -1.897 -9.259 -11.314 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -3.227 -8.898 -12.419 1.00 4.13 H new ATOM 554 N PHE A 38 -7.270 -10.442 -9.270 1.00 1.23 N ATOM 555 CA PHE A 38 -7.789 -11.012 -8.032 1.00 1.41 C ATOM 556 C PHE A 38 -8.632 -12.258 -8.297 1.00 1.51 C ATOM 557 O PHE A 38 -8.347 -13.335 -7.773 1.00 2.27 O ATOM 558 CB PHE A 38 -8.629 -9.971 -7.286 1.00 1.89 C ATOM 559 CG PHE A 38 -8.132 -9.673 -5.895 1.00 1.43 C ATOM 560 CD1 PHE A 38 -6.923 -9.022 -5.701 1.00 1.62 C ATOM 561 CD2 PHE A 38 -8.875 -10.045 -4.784 1.00 1.78 C ATOM 562 CE1 PHE A 38 -6.465 -8.746 -4.426 1.00 2.03 C ATOM 563 CE2 PHE A 38 -8.420 -9.771 -3.507 1.00 1.88 C ATOM 564 CZ PHE A 38 -7.214 -9.121 -3.328 1.00 1.97 C ATOM 0 H PHE A 38 -7.606 -9.499 -9.468 1.00 1.23 H new ATOM 0 HA PHE A 38 -6.936 -11.304 -7.419 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -8.642 -9.046 -7.863 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -9.659 -10.324 -7.226 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -6.332 -8.727 -6.556 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -9.818 -10.554 -4.918 1.00 1.78 H new ATOM 0 HE1 PHE A 38 -5.522 -8.237 -4.289 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -9.007 -10.065 -2.650 1.00 1.88 H new ATOM 0 HZ PHE A 38 -6.858 -8.907 -2.331 1.00 1.97 H new ATOM 574 N PHE A 39 -9.660 -12.107 -9.119 1.00 1.24 N ATOM 575 CA PHE A 39 -10.598 -13.193 -9.363 1.00 1.51 C ATOM 576 C PHE A 39 -10.475 -13.736 -10.783 1.00 1.25 C ATOM 577 O PHE A 39 -9.965 -14.837 -10.992 1.00 1.22 O ATOM 578 CB PHE A 39 -12.030 -12.718 -9.109 1.00 2.01 C ATOM 579 CG PHE A 39 -12.887 -13.746 -8.431 1.00 1.77 C ATOM 580 CD1 PHE A 39 -12.408 -14.455 -7.341 1.00 1.63 C ATOM 581 CD2 PHE A 39 -14.170 -14.007 -8.885 1.00 1.94 C ATOM 582 CE1 PHE A 39 -13.192 -15.404 -6.716 1.00 1.63 C ATOM 583 CE2 PHE A 39 -14.958 -14.954 -8.263 1.00 1.93 C ATOM 584 CZ PHE A 39 -14.467 -15.653 -7.177 1.00 1.75 C ATOM 0 H PHE A 39 -9.866 -11.247 -9.627 1.00 1.24 H new ATOM 0 HA PHE A 39 -10.355 -14.001 -8.674 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -12.003 -11.817 -8.496 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -12.488 -12.443 -10.059 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -11.410 -14.263 -6.976 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -14.557 -13.464 -9.734 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -12.807 -15.950 -5.868 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -15.957 -15.148 -8.625 1.00 1.93 H new ATOM 0 HZ PHE A 39 -15.082 -16.395 -6.689 1.00 1.75 H new ATOM 594 N GLN A 40 -10.937 -12.956 -11.753 1.00 1.25 N ATOM 595 CA GLN A 40 -10.984 -13.406 -13.140 1.00 1.25 C ATOM 596 C GLN A 40 -9.590 -13.442 -13.774 1.00 1.28 C ATOM 597 O GLN A 40 -9.187 -12.524 -14.485 1.00 1.93 O ATOM 598 CB GLN A 40 -11.938 -12.527 -13.962 1.00 1.46 C ATOM 599 CG GLN A 40 -11.669 -11.032 -13.855 1.00 1.85 C ATOM 600 CD GLN A 40 -12.432 -10.373 -12.724 1.00 1.75 C ATOM 601 OE1 GLN A 40 -11.714 -9.684 -11.849 1.00 2.39 O flip ATOM 602 NE2 GLN A 40 -13.648 -10.483 -12.634 1.00 1.80 N flip ATOM 0 H GLN A 40 -11.285 -12.009 -11.605 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.366 -14.427 -13.142 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.871 -12.821 -15.009 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.961 -12.723 -13.640 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -10.601 -10.870 -13.708 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -11.938 -10.552 -14.796 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -14.164 -11.023 -13.329 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -14.145 -10.035 -11.864 1.00 1.80 H new ATOM 611 N ILE A 41 -8.869 -14.521 -13.499 1.00 1.12 N ATOM 612 CA ILE A 41 -7.566 -14.784 -14.102 1.00 1.27 C ATOM 613 C ILE A 41 -6.993 -16.092 -13.559 1.00 1.35 C ATOM 614 O ILE A 41 -6.200 -16.762 -14.224 1.00 1.77 O ATOM 615 CB ILE A 41 -6.554 -13.624 -13.885 1.00 1.70 C ATOM 616 CG1 ILE A 41 -5.585 -13.541 -15.065 1.00 2.36 C ATOM 617 CG2 ILE A 41 -5.782 -13.783 -12.583 1.00 2.27 C ATOM 618 CD1 ILE A 41 -6.136 -12.777 -16.248 1.00 3.23 C ATOM 0 H ILE A 41 -9.173 -15.244 -12.847 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.724 -14.867 -15.177 1.00 1.27 H new ATOM 0 HB ILE A 41 -7.124 -12.697 -13.820 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -4.662 -13.065 -14.734 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -5.326 -14.551 -15.384 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -5.086 -12.952 -12.469 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -6.479 -13.790 -11.745 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -5.228 -14.721 -12.601 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -5.395 -12.759 -17.047 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -7.043 -13.265 -16.606 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -6.368 -11.756 -15.945 1.00 3.23 H new ATOM 630 N GLY A 42 -7.402 -16.449 -12.345 1.00 1.60 N ATOM 631 CA GLY A 42 -6.958 -17.692 -11.744 1.00 1.96 C ATOM 632 C GLY A 42 -7.769 -18.058 -10.520 1.00 1.64 C ATOM 633 O GLY A 42 -7.276 -18.742 -9.623 1.00 2.06 O ATOM 0 H GLY A 42 -8.035 -15.897 -11.766 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -7.030 -18.494 -12.478 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -5.907 -17.605 -11.468 1.00 1.96 H new ATOM 637 N GLY A 43 -9.020 -17.617 -10.488 1.00 1.60 N ATOM 638 CA GLY A 43 -9.877 -17.889 -9.353 1.00 1.92 C ATOM 639 C GLY A 43 -10.269 -19.351 -9.260 1.00 1.62 C ATOM 640 O GLY A 43 -11.117 -19.827 -10.013 1.00 2.17 O ATOM 0 H GLY A 43 -9.457 -17.073 -11.232 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -9.366 -17.594 -8.437 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -10.777 -17.279 -9.427 1.00 1.92 H new ATOM 644 N HIS A 44 -9.638 -20.071 -8.351 1.00 1.25 N ATOM 645 CA HIS A 44 -9.953 -21.477 -8.147 1.00 1.22 C ATOM 646 C HIS A 44 -10.181 -21.758 -6.669 1.00 1.13 C ATOM 647 O HIS A 44 -9.449 -22.531 -6.049 1.00 1.36 O ATOM 648 CB HIS A 44 -8.834 -22.365 -8.695 1.00 1.54 C ATOM 649 CG HIS A 44 -9.099 -22.883 -10.078 1.00 1.39 C ATOM 650 ND1 HIS A 44 -8.174 -23.604 -10.801 1.00 1.94 N ATOM 651 CD2 HIS A 44 -10.189 -22.772 -10.879 1.00 1.92 C ATOM 652 CE1 HIS A 44 -8.675 -23.909 -11.980 1.00 2.26 C ATOM 653 NE2 HIS A 44 -9.897 -23.419 -12.055 1.00 2.26 N ATOM 0 H HIS A 44 -8.905 -19.708 -7.742 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.869 -21.708 -8.690 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -7.903 -21.799 -8.701 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -8.689 -23.210 -8.021 1.00 1.54 H new ATOM 0 HD1 HIS A 44 -7.243 -23.862 -10.473 1.00 1.94 H new ATOM 0 HD2 HIS A 44 -11.113 -22.269 -10.637 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -8.170 -24.467 -12.755 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -10.523 -23.506 -12.856 1.00 2.26 H new ATOM 662 N SER A 45 -11.188 -21.108 -6.108 1.00 1.01 N ATOM 663 CA SER A 45 -11.548 -21.297 -4.711 1.00 1.10 C ATOM 664 C SER A 45 -12.181 -22.674 -4.496 1.00 1.13 C ATOM 665 O SER A 45 -12.631 -23.315 -5.447 1.00 1.31 O ATOM 666 CB SER A 45 -12.521 -20.198 -4.290 1.00 1.19 C ATOM 667 OG SER A 45 -12.734 -19.280 -5.356 1.00 1.19 O ATOM 0 H SER A 45 -11.776 -20.438 -6.604 1.00 1.01 H new ATOM 0 HA SER A 45 -10.647 -21.241 -4.101 1.00 1.10 H new ATOM 0 HB2 SER A 45 -13.470 -20.641 -3.990 1.00 1.19 H new ATOM 0 HB3 SER A 45 -12.127 -19.670 -3.422 1.00 1.19 H new ATOM 0 HG SER A 45 -13.361 -18.584 -5.068 1.00 1.19 H new ATOM 673 N LEU A 46 -12.227 -23.121 -3.248 1.00 1.21 N ATOM 674 CA LEU A 46 -12.808 -24.421 -2.924 1.00 1.32 C ATOM 675 C LEU A 46 -14.331 -24.331 -2.859 1.00 1.35 C ATOM 676 O LEU A 46 -14.947 -24.579 -1.820 1.00 1.77 O ATOM 677 CB LEU A 46 -12.244 -24.945 -1.602 1.00 1.50 C ATOM 678 CG LEU A 46 -10.820 -25.500 -1.688 1.00 1.83 C ATOM 679 CD1 LEU A 46 -10.030 -25.138 -0.443 1.00 2.37 C ATOM 680 CD2 LEU A 46 -10.840 -27.007 -1.886 1.00 2.35 C ATOM 0 H LEU A 46 -11.870 -22.605 -2.444 1.00 1.21 H new ATOM 0 HA LEU A 46 -12.541 -25.122 -3.715 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -12.261 -24.137 -0.870 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -12.903 -25.729 -1.227 1.00 1.50 H new ATOM 0 HG LEU A 46 -10.331 -25.048 -2.551 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -9.020 -25.541 -0.523 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -9.981 -24.053 -0.346 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -10.521 -25.559 0.434 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -9.817 -27.380 -1.944 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -11.350 -27.478 -1.046 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -11.367 -27.246 -2.810 1.00 2.35 H new ATOM 692 N LYS A 47 -14.927 -23.971 -3.986 1.00 1.23 N ATOM 693 CA LYS A 47 -16.370 -23.813 -4.095 1.00 1.28 C ATOM 694 C LYS A 47 -16.862 -24.453 -5.385 1.00 1.27 C ATOM 695 O LYS A 47 -16.098 -24.583 -6.345 1.00 1.27 O ATOM 696 CB LYS A 47 -16.738 -22.328 -4.070 1.00 1.30 C ATOM 697 CG LYS A 47 -17.883 -21.993 -3.127 1.00 1.49 C ATOM 698 CD LYS A 47 -17.390 -21.744 -1.711 1.00 1.72 C ATOM 699 CE LYS A 47 -18.530 -21.816 -0.708 1.00 1.61 C ATOM 700 NZ LYS A 47 -18.744 -20.519 -0.016 1.00 2.27 N ATOM 0 H LYS A 47 -14.423 -23.780 -4.852 1.00 1.23 H new ATOM 0 HA LYS A 47 -16.848 -24.307 -3.249 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -15.860 -21.751 -3.779 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -17.007 -22.013 -5.078 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -18.407 -21.109 -3.491 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -18.603 -22.812 -3.123 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -16.629 -22.481 -1.454 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -16.916 -20.764 -1.656 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -19.446 -22.109 -1.221 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -18.316 -22.590 0.029 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -19.530 -20.611 0.659 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -17.879 -20.251 0.495 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -18.974 -19.785 -0.717 1.00 2.27 H new ATOM 714 N ALA A 48 -18.134 -24.838 -5.414 1.00 1.33 N ATOM 715 CA ALA A 48 -18.708 -25.517 -6.573 1.00 1.38 C ATOM 716 C ALA A 48 -18.586 -24.669 -7.835 1.00 1.18 C ATOM 717 O ALA A 48 -18.406 -25.198 -8.927 1.00 1.05 O ATOM 718 CB ALA A 48 -20.163 -25.869 -6.317 1.00 1.64 C ATOM 0 H ALA A 48 -18.789 -24.691 -4.646 1.00 1.33 H new ATOM 0 HA ALA A 48 -18.143 -26.436 -6.730 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -20.574 -26.374 -7.191 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -20.231 -26.528 -5.451 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -20.729 -24.958 -6.125 1.00 1.64 H new ATOM 724 N MET A 49 -18.681 -23.353 -7.675 1.00 1.20 N ATOM 725 CA MET A 49 -18.545 -22.420 -8.792 1.00 1.09 C ATOM 726 C MET A 49 -17.216 -22.621 -9.522 1.00 0.94 C ATOM 727 O MET A 49 -17.165 -22.627 -10.752 1.00 0.85 O ATOM 728 CB MET A 49 -18.646 -20.979 -8.286 1.00 1.22 C ATOM 729 CG MET A 49 -18.738 -19.939 -9.391 1.00 1.35 C ATOM 730 SD MET A 49 -20.008 -18.700 -9.071 1.00 1.95 S ATOM 731 CE MET A 49 -20.912 -18.737 -10.616 1.00 2.58 C ATOM 0 H MET A 49 -18.853 -22.904 -6.775 1.00 1.20 H new ATOM 0 HA MET A 49 -19.354 -22.616 -9.496 1.00 1.09 H new ATOM 0 HB2 MET A 49 -19.523 -20.891 -7.645 1.00 1.22 H new ATOM 0 HB3 MET A 49 -17.776 -20.760 -7.667 1.00 1.22 H new ATOM 0 HG2 MET A 49 -17.773 -19.445 -9.501 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.951 -20.437 -10.337 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.733 -18.021 -10.574 1.00 2.58 H new ATOM 0 HE2 MET A 49 -20.243 -18.474 -11.435 1.00 2.58 H new ATOM 0 HE3 MET A 49 -21.311 -19.738 -10.780 1.00 2.58 H new ATOM 741 N ALA A 50 -16.149 -22.809 -8.756 1.00 0.96 N ATOM 742 CA ALA A 50 -14.819 -22.965 -9.328 1.00 0.90 C ATOM 743 C ALA A 50 -14.632 -24.361 -9.911 1.00 0.84 C ATOM 744 O ALA A 50 -13.984 -24.529 -10.944 1.00 0.80 O ATOM 745 CB ALA A 50 -13.754 -22.676 -8.281 1.00 1.06 C ATOM 0 H ALA A 50 -16.179 -22.857 -7.738 1.00 0.96 H new ATOM 0 HA ALA A 50 -14.714 -22.246 -10.140 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -12.766 -22.797 -8.724 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -13.867 -21.654 -7.920 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -13.865 -23.370 -7.448 1.00 1.06 H new ATOM 751 N VAL A 51 -15.210 -25.355 -9.248 1.00 0.90 N ATOM 752 CA VAL A 51 -15.130 -26.733 -9.715 1.00 0.92 C ATOM 753 C VAL A 51 -15.837 -26.881 -11.058 1.00 0.84 C ATOM 754 O VAL A 51 -15.323 -27.520 -11.979 1.00 0.85 O ATOM 755 CB VAL A 51 -15.745 -27.716 -8.694 1.00 1.07 C ATOM 756 CG1 VAL A 51 -15.578 -29.155 -9.160 1.00 1.17 C ATOM 757 CG2 VAL A 51 -15.112 -27.529 -7.323 1.00 1.46 C ATOM 0 H VAL A 51 -15.739 -25.232 -8.385 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.074 -26.978 -9.831 1.00 0.92 H new ATOM 0 HB VAL A 51 -16.811 -27.501 -8.618 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -16.019 -29.829 -8.425 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -16.078 -29.287 -10.119 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.517 -29.381 -9.270 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -15.558 -28.230 -6.618 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -14.040 -27.714 -7.389 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -15.284 -26.509 -6.979 1.00 1.46 H new ATOM 767 N ALA A 52 -17.006 -26.257 -11.171 1.00 0.84 N ATOM 768 CA ALA A 52 -17.787 -26.302 -12.398 1.00 0.85 C ATOM 769 C ALA A 52 -17.022 -25.677 -13.555 1.00 0.77 C ATOM 770 O ALA A 52 -17.086 -26.162 -14.680 1.00 0.83 O ATOM 771 CB ALA A 52 -19.122 -25.596 -12.205 1.00 0.97 C ATOM 0 H ALA A 52 -17.433 -25.712 -10.422 1.00 0.84 H new ATOM 0 HA ALA A 52 -17.975 -27.348 -12.640 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -19.694 -25.639 -13.132 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -19.682 -26.088 -11.410 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -18.947 -24.555 -11.934 1.00 0.97 H new ATOM 777 N ALA A 53 -16.285 -24.608 -13.270 1.00 0.72 N ATOM 778 CA ALA A 53 -15.497 -23.931 -14.293 1.00 0.74 C ATOM 779 C ALA A 53 -14.373 -24.829 -14.807 1.00 0.73 C ATOM 780 O ALA A 53 -14.031 -24.797 -15.991 1.00 0.93 O ATOM 781 CB ALA A 53 -14.928 -22.631 -13.747 1.00 0.82 C ATOM 0 H ALA A 53 -16.217 -24.193 -12.341 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.156 -23.703 -15.131 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.342 -22.137 -14.522 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -15.744 -21.978 -13.437 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.289 -22.845 -12.890 1.00 0.82 H new ATOM 787 N GLN A 54 -13.814 -25.633 -13.910 1.00 0.71 N ATOM 788 CA GLN A 54 -12.731 -26.544 -14.257 1.00 0.83 C ATOM 789 C GLN A 54 -13.222 -27.648 -15.191 1.00 0.88 C ATOM 790 O GLN A 54 -12.538 -28.020 -16.147 1.00 1.07 O ATOM 791 CB GLN A 54 -12.140 -27.163 -12.990 1.00 0.99 C ATOM 792 CG GLN A 54 -10.621 -27.205 -12.975 1.00 1.27 C ATOM 793 CD GLN A 54 -10.057 -27.392 -11.579 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.777 -27.737 -10.643 1.00 1.76 O ATOM 795 NE2 GLN A 54 -8.761 -27.175 -11.432 1.00 1.86 N ATOM 0 H GLN A 54 -14.096 -25.672 -12.930 1.00 0.71 H new ATOM 0 HA GLN A 54 -11.960 -25.973 -14.774 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -12.486 -26.597 -12.125 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.523 -28.178 -12.881 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -10.277 -28.019 -13.614 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -10.231 -26.280 -13.400 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -8.198 -26.890 -12.233 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -8.325 -27.293 -10.518 1.00 1.86 H new ATOM 804 N VAL A 55 -14.413 -28.156 -14.909 1.00 0.88 N ATOM 805 CA VAL A 55 -14.977 -29.263 -15.672 1.00 0.98 C ATOM 806 C VAL A 55 -15.579 -28.783 -16.994 1.00 0.96 C ATOM 807 O VAL A 55 -15.451 -29.453 -18.018 1.00 1.10 O ATOM 808 CB VAL A 55 -16.056 -30.006 -14.855 1.00 1.13 C ATOM 809 CG1 VAL A 55 -16.511 -31.262 -15.576 1.00 1.82 C ATOM 810 CG2 VAL A 55 -15.540 -30.352 -13.465 1.00 1.36 C ATOM 0 H VAL A 55 -15.011 -27.818 -14.154 1.00 0.88 H new ATOM 0 HA VAL A 55 -14.159 -29.949 -15.890 1.00 0.98 H new ATOM 0 HB VAL A 55 -16.913 -29.340 -14.749 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -17.271 -31.768 -14.981 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -16.929 -30.993 -16.546 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -15.660 -31.928 -15.720 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -16.317 -30.875 -12.908 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -14.662 -30.993 -13.552 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -15.270 -29.436 -12.939 1.00 1.36 H new ATOM 820 N HIS A 56 -16.217 -27.616 -16.966 1.00 0.95 N ATOM 821 CA HIS A 56 -16.872 -27.053 -18.152 1.00 1.02 C ATOM 822 C HIS A 56 -15.878 -26.860 -19.296 1.00 0.97 C ATOM 823 O HIS A 56 -16.239 -26.963 -20.465 1.00 1.30 O ATOM 824 CB HIS A 56 -17.532 -25.713 -17.804 1.00 1.22 C ATOM 825 CG HIS A 56 -18.680 -25.338 -18.704 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.892 -24.884 -18.227 1.00 1.92 N ATOM 827 CD2 HIS A 56 -18.791 -25.337 -20.055 1.00 1.81 C ATOM 828 CE1 HIS A 56 -20.693 -24.619 -19.244 1.00 1.97 C ATOM 829 NE2 HIS A 56 -20.051 -24.885 -20.363 1.00 1.97 N ATOM 0 H HIS A 56 -16.297 -27.036 -16.131 1.00 0.95 H new ATOM 0 HA HIS A 56 -17.635 -27.759 -18.480 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -17.890 -25.753 -16.775 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -16.778 -24.927 -17.849 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -18.029 -25.636 -20.759 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.704 -24.247 -19.170 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -20.428 -24.774 -21.304 1.00 1.97 H new ATOM 838 N ARG A 57 -14.627 -26.593 -18.959 1.00 0.98 N ATOM 839 CA ARG A 57 -13.607 -26.361 -19.969 1.00 1.19 C ATOM 840 C ARG A 57 -12.965 -27.673 -20.421 1.00 1.33 C ATOM 841 O ARG A 57 -11.901 -27.665 -21.041 1.00 2.17 O ATOM 842 CB ARG A 57 -12.538 -25.412 -19.433 1.00 1.33 C ATOM 843 CG ARG A 57 -12.070 -24.388 -20.454 1.00 1.79 C ATOM 844 CD ARG A 57 -10.588 -24.539 -20.759 1.00 1.88 C ATOM 845 NE ARG A 57 -10.337 -25.559 -21.774 1.00 2.28 N ATOM 846 CZ ARG A 57 -10.147 -25.298 -23.067 1.00 2.79 C ATOM 847 NH1 ARG A 57 -10.222 -24.052 -23.516 1.00 3.10 N ATOM 848 NH2 ARG A 57 -9.909 -26.288 -23.916 1.00 3.57 N ATOM 0 H ARG A 57 -14.294 -26.532 -17.997 1.00 0.98 H new ATOM 0 HA ARG A 57 -14.089 -25.905 -20.833 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -12.931 -24.890 -18.561 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -11.681 -25.995 -19.096 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -12.645 -24.501 -21.373 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -12.264 -23.383 -20.078 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -10.189 -23.583 -21.100 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -10.055 -24.799 -19.845 1.00 1.88 H new ATOM 0 HE ARG A 57 -10.305 -26.533 -21.474 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -10.426 -23.289 -22.871 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -10.076 -23.857 -24.506 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -9.871 -27.250 -23.580 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -9.764 -26.087 -24.905 1.00 3.57 H new ATOM 862 N GLU A 58 -13.621 -28.790 -20.109 1.00 1.21 N ATOM 863 CA GLU A 58 -13.135 -30.112 -20.488 1.00 1.40 C ATOM 864 C GLU A 58 -11.723 -30.332 -19.951 1.00 1.22 C ATOM 865 O GLU A 58 -10.766 -30.440 -20.719 1.00 1.68 O ATOM 866 CB GLU A 58 -13.157 -30.277 -22.014 1.00 1.88 C ATOM 867 CG GLU A 58 -14.546 -30.162 -22.628 1.00 2.68 C ATOM 868 CD GLU A 58 -14.553 -30.439 -24.119 1.00 3.16 C ATOM 869 OE1 GLU A 58 -13.916 -31.418 -24.552 1.00 3.64 O ATOM 870 OE2 GLU A 58 -15.186 -29.668 -24.871 1.00 3.53 O ATOM 0 H GLU A 58 -14.499 -28.802 -19.590 1.00 1.21 H new ATOM 0 HA GLU A 58 -13.795 -30.861 -20.051 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -12.510 -29.522 -22.460 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -12.737 -31.249 -22.270 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -15.218 -30.861 -22.130 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -14.937 -29.161 -22.447 1.00 2.68 H new ATOM 877 N TYR A 59 -11.611 -30.386 -18.623 1.00 1.26 N ATOM 878 CA TYR A 59 -10.322 -30.545 -17.951 1.00 1.40 C ATOM 879 C TYR A 59 -9.429 -29.335 -18.211 1.00 1.33 C ATOM 880 O TYR A 59 -8.510 -29.387 -19.028 1.00 1.82 O ATOM 881 CB TYR A 59 -9.614 -31.828 -18.399 1.00 1.93 C ATOM 882 CG TYR A 59 -10.190 -33.083 -17.789 1.00 2.42 C ATOM 883 CD1 TYR A 59 -9.856 -33.460 -16.495 1.00 2.98 C ATOM 884 CD2 TYR A 59 -11.065 -33.890 -18.504 1.00 2.85 C ATOM 885 CE1 TYR A 59 -10.380 -34.604 -15.930 1.00 3.65 C ATOM 886 CE2 TYR A 59 -11.594 -35.036 -17.944 1.00 3.50 C ATOM 887 CZ TYR A 59 -11.247 -35.389 -16.658 1.00 3.80 C ATOM 888 OH TYR A 59 -11.772 -36.532 -16.094 1.00 4.58 O ATOM 0 H TYR A 59 -12.406 -30.321 -17.987 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.514 -30.620 -16.881 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -9.670 -31.903 -19.485 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -8.558 -31.760 -18.139 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -9.175 -32.848 -15.922 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -11.336 -33.617 -19.513 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -10.112 -34.883 -14.922 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -12.276 -35.652 -18.511 1.00 3.50 H new ATOM 0 HH TYR A 59 -12.366 -36.971 -16.738 1.00 4.58 H new ATOM 898 N GLN A 60 -9.711 -28.242 -17.515 1.00 1.24 N ATOM 899 CA GLN A 60 -8.951 -27.011 -17.689 1.00 1.28 C ATOM 900 C GLN A 60 -7.685 -27.024 -16.837 1.00 1.38 C ATOM 901 O GLN A 60 -6.801 -26.182 -17.015 1.00 1.94 O ATOM 902 CB GLN A 60 -9.819 -25.795 -17.338 1.00 1.68 C ATOM 903 CG GLN A 60 -9.704 -25.341 -15.889 1.00 1.83 C ATOM 904 CD GLN A 60 -10.022 -23.869 -15.707 1.00 2.07 C ATOM 905 OE1 GLN A 60 -10.637 -23.470 -14.716 1.00 2.80 O ATOM 906 NE2 GLN A 60 -9.593 -23.048 -16.650 1.00 2.27 N ATOM 0 H GLN A 60 -10.460 -28.182 -16.825 1.00 1.24 H new ATOM 0 HA GLN A 60 -8.654 -26.941 -18.735 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -9.543 -24.966 -17.989 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -10.861 -26.034 -17.550 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -10.381 -25.933 -15.273 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -8.693 -25.537 -15.531 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -9.087 -23.416 -17.456 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -9.768 -22.046 -16.572 1.00 2.27 H new ATOM 915 N VAL A 61 -7.606 -27.990 -15.921 1.00 1.49 N ATOM 916 CA VAL A 61 -6.487 -28.102 -14.989 1.00 1.90 C ATOM 917 C VAL A 61 -6.278 -26.781 -14.246 1.00 2.03 C ATOM 918 O VAL A 61 -7.124 -26.372 -13.451 1.00 2.77 O ATOM 919 CB VAL A 61 -5.177 -28.537 -15.691 1.00 2.42 C ATOM 920 CG1 VAL A 61 -4.207 -29.139 -14.684 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.458 -29.535 -16.809 1.00 2.70 C ATOM 0 H VAL A 61 -8.315 -28.714 -15.806 1.00 1.49 H new ATOM 0 HA VAL A 61 -6.743 -28.882 -14.272 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.723 -27.649 -16.131 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -3.292 -29.439 -15.195 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.970 -28.399 -13.920 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -4.664 -30.011 -14.215 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -4.520 -29.823 -17.284 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -5.941 -30.420 -16.394 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -6.114 -29.077 -17.549 1.00 2.70 H new ATOM 931 N GLU A 62 -5.175 -26.106 -14.523 1.00 1.77 N ATOM 932 CA GLU A 62 -4.876 -24.839 -13.882 1.00 2.15 C ATOM 933 C GLU A 62 -4.576 -23.779 -14.932 1.00 1.95 C ATOM 934 O GLU A 62 -3.811 -22.846 -14.692 1.00 2.59 O ATOM 935 CB GLU A 62 -3.689 -24.994 -12.927 1.00 2.85 C ATOM 936 CG GLU A 62 -3.892 -24.313 -11.583 1.00 3.27 C ATOM 937 CD GLU A 62 -4.841 -25.071 -10.675 1.00 4.00 C ATOM 938 OE1 GLU A 62 -4.621 -26.278 -10.450 1.00 4.56 O ATOM 939 OE2 GLU A 62 -5.810 -24.462 -10.176 1.00 4.41 O ATOM 0 H GLU A 62 -4.470 -26.417 -15.191 1.00 1.77 H new ATOM 0 HA GLU A 62 -5.746 -24.524 -13.305 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -3.503 -26.055 -12.762 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -2.797 -24.584 -13.401 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -2.928 -24.207 -11.086 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -4.279 -23.307 -11.746 1.00 3.27 H new ATOM 946 N LEU A 63 -5.173 -23.935 -16.107 1.00 1.62 N ATOM 947 CA LEU A 63 -4.974 -22.984 -17.195 1.00 1.78 C ATOM 948 C LEU A 63 -6.283 -22.277 -17.550 1.00 1.53 C ATOM 949 O LEU A 63 -7.035 -22.735 -18.414 1.00 1.50 O ATOM 950 CB LEU A 63 -4.413 -23.696 -18.428 1.00 2.34 C ATOM 951 CG LEU A 63 -3.099 -23.124 -18.961 1.00 2.46 C ATOM 952 CD1 LEU A 63 -2.223 -24.233 -19.525 1.00 2.93 C ATOM 953 CD2 LEU A 63 -3.370 -22.067 -20.021 1.00 3.01 C ATOM 0 H LEU A 63 -5.798 -24.709 -16.331 1.00 1.62 H new ATOM 0 HA LEU A 63 -4.257 -22.234 -16.861 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -4.262 -24.748 -18.185 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -5.158 -23.656 -19.223 1.00 2.34 H new ATOM 0 HG LEU A 63 -2.567 -22.654 -18.133 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -1.292 -23.807 -19.900 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -2.001 -24.956 -18.740 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -2.747 -24.732 -20.340 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -2.424 -21.670 -20.390 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.923 -22.514 -20.847 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -3.958 -21.258 -19.587 1.00 3.01 H new ATOM 965 N PRO A 64 -6.582 -21.160 -16.868 1.00 1.52 N ATOM 966 CA PRO A 64 -7.771 -20.360 -17.114 1.00 1.44 C ATOM 967 C PRO A 64 -7.517 -19.244 -18.127 1.00 1.43 C ATOM 968 O PRO A 64 -6.878 -18.241 -17.812 1.00 1.89 O ATOM 969 CB PRO A 64 -8.084 -19.771 -15.727 1.00 1.66 C ATOM 970 CG PRO A 64 -6.873 -20.032 -14.875 1.00 1.91 C ATOM 971 CD PRO A 64 -5.800 -20.581 -15.778 1.00 1.79 C ATOM 0 HA PRO A 64 -8.585 -20.947 -17.539 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -8.288 -18.703 -15.795 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -8.970 -20.238 -15.297 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -6.537 -19.114 -14.393 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -7.107 -20.741 -14.081 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -5.126 -19.801 -16.130 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -5.187 -21.329 -15.275 1.00 1.79 H new ATOM 979 N LEU A 65 -8.017 -19.421 -19.341 1.00 1.22 N ATOM 980 CA LEU A 65 -7.837 -18.418 -20.383 1.00 1.24 C ATOM 981 C LEU A 65 -9.181 -17.864 -20.842 1.00 1.19 C ATOM 982 O LEU A 65 -9.283 -16.708 -21.259 1.00 1.82 O ATOM 983 CB LEU A 65 -7.082 -19.011 -21.572 1.00 1.39 C ATOM 984 CG LEU A 65 -5.575 -18.742 -21.581 1.00 1.86 C ATOM 985 CD1 LEU A 65 -4.916 -19.472 -22.737 1.00 2.46 C ATOM 986 CD2 LEU A 65 -5.299 -17.247 -21.665 1.00 2.34 C ATOM 0 H LEU A 65 -8.547 -20.243 -19.629 1.00 1.22 H new ATOM 0 HA LEU A 65 -7.250 -17.600 -19.965 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -7.243 -20.089 -21.585 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.512 -18.613 -22.491 1.00 1.39 H new ATOM 0 HG LEU A 65 -5.151 -19.116 -20.649 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -3.845 -19.271 -22.731 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -5.085 -20.544 -22.634 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -5.344 -19.126 -23.678 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -4.223 -17.075 -21.670 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -5.735 -16.847 -22.581 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -5.742 -16.746 -20.804 1.00 2.34 H new ATOM 998 N LYS A 66 -10.212 -18.699 -20.763 1.00 0.89 N ATOM 999 CA LYS A 66 -11.555 -18.309 -21.164 1.00 0.89 C ATOM 1000 C LYS A 66 -12.593 -19.135 -20.411 1.00 0.88 C ATOM 1001 O LYS A 66 -13.096 -20.138 -20.921 1.00 1.21 O ATOM 1002 CB LYS A 66 -11.735 -18.487 -22.674 1.00 1.03 C ATOM 1003 CG LYS A 66 -12.779 -17.560 -23.272 1.00 1.47 C ATOM 1004 CD LYS A 66 -12.220 -16.162 -23.489 1.00 1.62 C ATOM 1005 CE LYS A 66 -13.227 -15.266 -24.185 1.00 1.99 C ATOM 1006 NZ LYS A 66 -12.754 -14.836 -25.525 1.00 2.42 N ATOM 0 H LYS A 66 -10.139 -19.657 -20.422 1.00 0.89 H new ATOM 0 HA LYS A 66 -11.697 -17.257 -20.917 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -10.780 -18.313 -23.169 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.017 -19.520 -22.879 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -13.127 -17.966 -24.222 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -13.644 -17.509 -22.611 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -11.944 -15.725 -22.529 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -11.310 -16.221 -24.085 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -14.174 -15.796 -24.287 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -13.418 -14.388 -23.569 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -13.471 -14.226 -25.967 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -11.863 -14.308 -25.426 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -12.596 -15.673 -26.122 1.00 2.42 H new ATOM 1020 N VAL A 67 -12.887 -18.719 -19.187 1.00 0.96 N ATOM 1021 CA VAL A 67 -13.877 -19.397 -18.357 1.00 1.08 C ATOM 1022 C VAL A 67 -14.556 -18.399 -17.431 1.00 1.15 C ATOM 1023 O VAL A 67 -14.365 -17.191 -17.568 1.00 1.70 O ATOM 1024 CB VAL A 67 -13.262 -20.531 -17.498 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -13.522 -21.885 -18.136 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -11.772 -20.320 -17.278 1.00 2.11 C ATOM 0 H VAL A 67 -12.452 -17.910 -18.743 1.00 0.96 H new ATOM 0 HA VAL A 67 -14.600 -19.844 -19.040 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.746 -20.506 -16.522 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -13.083 -22.669 -17.519 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -14.597 -22.048 -18.219 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.073 -21.911 -19.129 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -11.375 -21.134 -16.672 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -11.261 -20.302 -18.241 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -11.611 -19.373 -16.764 1.00 2.11 H new ATOM 1036 N LEU A 68 -15.326 -18.913 -16.479 1.00 1.00 N ATOM 1037 CA LEU A 68 -16.033 -18.071 -15.519 1.00 1.15 C ATOM 1038 C LEU A 68 -15.054 -17.225 -14.706 1.00 1.14 C ATOM 1039 O LEU A 68 -15.360 -16.101 -14.321 1.00 1.53 O ATOM 1040 CB LEU A 68 -16.872 -18.941 -14.581 1.00 1.35 C ATOM 1041 CG LEU A 68 -18.360 -18.586 -14.501 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -18.562 -17.312 -13.694 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -18.957 -18.439 -15.893 1.00 2.02 C ATOM 0 H LEU A 68 -15.478 -19.913 -16.350 1.00 1.00 H new ATOM 0 HA LEU A 68 -16.688 -17.399 -16.073 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -16.781 -19.979 -14.900 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -16.448 -18.877 -13.579 1.00 1.35 H new ATOM 0 HG LEU A 68 -18.878 -19.401 -13.995 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -19.625 -17.075 -13.648 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -18.178 -17.456 -12.684 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -18.028 -16.490 -14.171 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -20.014 -18.187 -15.811 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -18.436 -17.647 -16.431 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -18.849 -19.378 -16.436 1.00 2.02 H new ATOM 1055 N PHE A 69 -13.870 -17.773 -14.464 1.00 1.04 N ATOM 1056 CA PHE A 69 -12.853 -17.080 -13.688 1.00 1.16 C ATOM 1057 C PHE A 69 -11.693 -16.660 -14.579 1.00 1.15 C ATOM 1058 O PHE A 69 -10.537 -16.702 -14.161 1.00 1.87 O ATOM 1059 CB PHE A 69 -12.336 -17.978 -12.560 1.00 1.30 C ATOM 1060 CG PHE A 69 -13.391 -18.408 -11.589 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -14.118 -19.565 -11.806 1.00 1.55 C ATOM 1062 CD2 PHE A 69 -13.642 -17.664 -10.452 1.00 1.60 C ATOM 1063 CE1 PHE A 69 -15.078 -19.970 -10.906 1.00 1.81 C ATOM 1064 CE2 PHE A 69 -14.604 -18.064 -9.548 1.00 1.69 C ATOM 1065 CZ PHE A 69 -15.322 -19.220 -9.772 1.00 1.60 C ATOM 0 H PHE A 69 -13.591 -18.697 -14.795 1.00 1.04 H new ATOM 0 HA PHE A 69 -13.307 -16.189 -13.255 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -11.877 -18.865 -12.997 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -11.553 -17.448 -12.018 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -13.931 -20.156 -12.690 1.00 1.55 H new ATOM 0 HD2 PHE A 69 -13.079 -16.760 -10.269 1.00 1.60 H new ATOM 0 HE1 PHE A 69 -15.640 -20.874 -11.087 1.00 1.81 H new ATOM 0 HE2 PHE A 69 -14.795 -17.472 -8.665 1.00 1.69 H new ATOM 0 HZ PHE A 69 -16.072 -19.538 -9.063 1.00 1.60 H new ATOM 1075 N ALA A 70 -12.002 -16.265 -15.808 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.977 -15.838 -16.752 1.00 0.94 C ATOM 1077 C ALA A 70 -11.576 -14.972 -17.852 1.00 0.91 C ATOM 1078 O ALA A 70 -11.460 -15.286 -19.037 1.00 1.09 O ATOM 1079 CB ALA A 70 -10.267 -17.042 -17.353 1.00 1.03 C ATOM 0 H ALA A 70 -12.953 -16.232 -16.174 1.00 0.92 H new ATOM 0 HA ALA A 70 -10.246 -15.240 -16.207 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -9.506 -16.702 -18.055 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -9.796 -17.621 -16.558 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.990 -17.667 -17.877 1.00 1.03 H new ATOM 1085 N GLN A 71 -12.231 -13.893 -17.445 1.00 1.05 N ATOM 1086 CA GLN A 71 -12.825 -12.946 -18.378 1.00 1.14 C ATOM 1087 C GLN A 71 -13.162 -11.646 -17.656 1.00 1.04 C ATOM 1088 O GLN A 71 -13.812 -11.664 -16.613 1.00 1.19 O ATOM 1089 CB GLN A 71 -14.095 -13.530 -19.005 1.00 1.43 C ATOM 1090 CG GLN A 71 -13.981 -13.776 -20.503 1.00 1.89 C ATOM 1091 CD GLN A 71 -13.965 -12.495 -21.310 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -12.995 -12.198 -22.009 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -15.034 -11.722 -21.215 1.00 3.23 N ATOM 0 H GLN A 71 -12.365 -13.650 -16.463 1.00 1.05 H new ATOM 0 HA GLN A 71 -12.104 -12.745 -19.170 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -14.335 -14.470 -18.509 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -14.927 -12.850 -18.820 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -13.070 -14.339 -20.706 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -14.817 -14.395 -20.829 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -15.817 -12.004 -20.625 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -15.076 -10.844 -21.732 1.00 3.23 H new ATOM 1102 N PRO A 72 -12.714 -10.498 -18.191 1.00 1.11 N ATOM 1103 CA PRO A 72 -13.011 -9.178 -17.617 1.00 1.26 C ATOM 1104 C PRO A 72 -14.446 -8.728 -17.903 1.00 1.21 C ATOM 1105 O PRO A 72 -14.787 -7.556 -17.754 1.00 1.62 O ATOM 1106 CB PRO A 72 -12.012 -8.240 -18.317 1.00 1.60 C ATOM 1107 CG PRO A 72 -11.090 -9.124 -19.094 1.00 1.77 C ATOM 1108 CD PRO A 72 -11.854 -10.384 -19.372 1.00 1.38 C ATOM 0 HA PRO A 72 -12.920 -9.184 -16.531 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -12.529 -7.541 -18.975 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -11.460 -7.645 -17.589 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -10.780 -8.644 -20.022 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -10.184 -9.335 -18.527 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -12.434 -10.312 -20.292 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -11.193 -11.245 -19.478 1.00 1.38 H new ATOM 1116 N THR A 73 -15.270 -9.665 -18.348 1.00 1.29 N ATOM 1117 CA THR A 73 -16.675 -9.411 -18.626 1.00 1.40 C ATOM 1118 C THR A 73 -17.460 -10.710 -18.482 1.00 1.25 C ATOM 1119 O THR A 73 -17.247 -11.661 -19.241 1.00 1.55 O ATOM 1120 CB THR A 73 -16.875 -8.839 -20.046 1.00 1.86 C ATOM 1121 OG1 THR A 73 -15.756 -8.015 -20.405 1.00 2.46 O ATOM 1122 CG2 THR A 73 -18.152 -8.017 -20.127 1.00 2.01 C ATOM 0 H THR A 73 -14.981 -10.627 -18.527 1.00 1.29 H new ATOM 0 HA THR A 73 -17.037 -8.672 -17.912 1.00 1.40 H new ATOM 0 HB THR A 73 -16.953 -9.676 -20.740 1.00 1.86 H new ATOM 0 HG1 THR A 73 -15.889 -7.657 -21.307 1.00 2.46 H new ATOM 0 HG21 THR A 73 -18.269 -7.626 -21.138 1.00 2.01 H new ATOM 0 HG22 THR A 73 -19.007 -8.647 -19.881 1.00 2.01 H new ATOM 0 HG23 THR A 73 -18.097 -7.188 -19.421 1.00 2.01 H new ATOM 1130 N ILE A 74 -18.361 -10.745 -17.512 1.00 1.12 N ATOM 1131 CA ILE A 74 -19.048 -11.979 -17.152 1.00 1.13 C ATOM 1132 C ILE A 74 -20.331 -12.154 -17.955 1.00 1.08 C ATOM 1133 O ILE A 74 -20.757 -13.282 -18.216 1.00 1.12 O ATOM 1134 CB ILE A 74 -19.390 -12.041 -15.645 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -18.617 -10.975 -14.851 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -19.108 -13.435 -15.098 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -17.180 -11.347 -14.540 1.00 2.08 C ATOM 0 H ILE A 74 -18.635 -9.933 -16.959 1.00 1.12 H new ATOM 0 HA ILE A 74 -18.356 -12.788 -17.386 1.00 1.13 H new ATOM 0 HB ILE A 74 -20.453 -11.829 -15.529 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.624 -10.042 -15.415 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -19.141 -10.785 -13.915 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -19.353 -13.466 -14.036 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -19.716 -14.165 -15.632 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -18.053 -13.673 -15.234 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -16.709 -10.540 -13.978 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -17.161 -12.261 -13.947 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -16.636 -11.507 -15.471 1.00 2.08 H new ATOM 1149 N LYS A 75 -20.940 -11.041 -18.354 1.00 1.07 N ATOM 1150 CA LYS A 75 -22.193 -11.082 -19.105 1.00 1.12 C ATOM 1151 C LYS A 75 -22.037 -11.883 -20.393 1.00 1.02 C ATOM 1152 O LYS A 75 -22.943 -12.614 -20.783 1.00 1.06 O ATOM 1153 CB LYS A 75 -22.701 -9.668 -19.416 1.00 1.25 C ATOM 1154 CG LYS A 75 -21.739 -8.818 -20.227 1.00 1.80 C ATOM 1155 CD LYS A 75 -22.485 -7.863 -21.147 1.00 2.44 C ATOM 1156 CE LYS A 75 -21.528 -7.072 -22.023 1.00 3.14 C ATOM 1157 NZ LYS A 75 -22.185 -6.572 -23.261 1.00 3.80 N ATOM 0 H LYS A 75 -20.588 -10.101 -18.171 1.00 1.07 H new ATOM 0 HA LYS A 75 -22.932 -11.581 -18.478 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -23.644 -9.745 -19.958 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.914 -9.157 -18.477 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -21.096 -8.250 -19.554 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -21.090 -9.464 -20.819 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -23.175 -8.426 -21.776 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -23.086 -7.176 -20.551 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -21.132 -6.229 -21.457 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -20.680 -7.701 -22.292 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -21.496 -6.038 -23.828 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -22.540 -7.377 -23.815 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -22.979 -5.950 -23.006 1.00 3.80 H new ATOM 1171 N ALA A 76 -20.871 -11.766 -21.025 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.590 -12.481 -22.267 1.00 0.98 C ATOM 1173 C ALA A 76 -20.661 -13.987 -22.052 1.00 0.91 C ATOM 1174 O ALA A 76 -21.170 -14.726 -22.895 1.00 0.97 O ATOM 1175 CB ALA A 76 -19.225 -12.086 -22.805 1.00 1.08 C ATOM 0 H ALA A 76 -20.103 -11.181 -20.696 1.00 0.97 H new ATOM 0 HA ALA A 76 -21.348 -12.206 -23.000 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -19.029 -12.626 -23.731 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -19.207 -11.014 -23.000 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.459 -12.334 -22.071 1.00 1.08 H new ATOM 1181 N LEU A 77 -20.160 -14.435 -20.909 1.00 0.91 N ATOM 1182 CA LEU A 77 -20.180 -15.849 -20.575 1.00 0.97 C ATOM 1183 C LEU A 77 -21.598 -16.287 -20.234 1.00 1.04 C ATOM 1184 O LEU A 77 -22.070 -17.318 -20.712 1.00 1.11 O ATOM 1185 CB LEU A 77 -19.244 -16.140 -19.397 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.886 -15.445 -19.463 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -17.293 -15.303 -18.072 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.938 -16.213 -20.370 1.00 1.94 C ATOM 0 H LEU A 77 -19.735 -13.839 -20.199 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.832 -16.412 -21.441 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -19.743 -15.843 -18.475 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -19.082 -17.216 -19.339 1.00 1.15 H new ATOM 0 HG LEU A 77 -18.029 -14.448 -19.880 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -16.325 -14.806 -18.138 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -17.964 -14.711 -17.449 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -17.164 -16.290 -17.629 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -15.975 -15.703 -20.405 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.800 -17.222 -19.982 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.358 -16.265 -21.375 1.00 1.94 H new ATOM 1200 N ALA A 78 -22.278 -15.484 -19.423 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.633 -15.797 -18.977 1.00 1.34 C ATOM 1202 C ALA A 78 -24.596 -15.944 -20.153 1.00 1.34 C ATOM 1203 O ALA A 78 -25.414 -16.865 -20.186 1.00 1.53 O ATOM 1204 CB ALA A 78 -24.130 -14.725 -18.018 1.00 1.57 C ATOM 0 H ALA A 78 -21.911 -14.605 -19.058 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.599 -16.755 -18.458 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -25.141 -14.969 -17.692 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -23.471 -14.678 -17.151 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -24.135 -13.759 -18.523 1.00 1.57 H new ATOM 1210 N GLN A 79 -24.481 -15.047 -21.126 1.00 1.27 N ATOM 1211 CA GLN A 79 -25.379 -15.046 -22.277 1.00 1.42 C ATOM 1212 C GLN A 79 -24.923 -16.038 -23.346 1.00 1.44 C ATOM 1213 O GLN A 79 -25.549 -16.147 -24.400 1.00 1.79 O ATOM 1214 CB GLN A 79 -25.478 -13.637 -22.880 1.00 1.53 C ATOM 1215 CG GLN A 79 -24.170 -13.131 -23.467 1.00 1.65 C ATOM 1216 CD GLN A 79 -24.281 -12.755 -24.928 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -24.078 -11.599 -25.301 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -24.595 -13.729 -25.766 1.00 2.74 N ATOM 0 H GLN A 79 -23.775 -14.311 -21.142 1.00 1.27 H new ATOM 0 HA GLN A 79 -26.363 -15.356 -21.925 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -26.240 -13.638 -23.660 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -25.812 -12.944 -22.108 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.836 -12.263 -22.899 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -23.406 -13.900 -23.353 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -24.755 -14.673 -25.414 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -24.677 -13.536 -26.764 1.00 2.74 H new ATOM 1227 N TYR A 80 -23.837 -16.757 -23.091 1.00 1.23 N ATOM 1228 CA TYR A 80 -23.343 -17.727 -24.058 1.00 1.38 C ATOM 1229 C TYR A 80 -23.089 -19.088 -23.413 1.00 1.39 C ATOM 1230 O TYR A 80 -23.986 -19.927 -23.339 1.00 1.59 O ATOM 1231 CB TYR A 80 -22.072 -17.212 -24.738 1.00 1.43 C ATOM 1232 CG TYR A 80 -22.269 -16.846 -26.194 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -23.488 -17.063 -26.824 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -21.237 -16.286 -26.942 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -23.674 -16.733 -28.154 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -21.417 -15.954 -28.272 1.00 2.18 C ATOM 1237 CZ TYR A 80 -22.630 -16.166 -28.871 1.00 2.42 C ATOM 1238 OH TYR A 80 -22.817 -15.849 -30.200 1.00 2.85 O ATOM 0 H TYR A 80 -23.288 -16.688 -22.234 1.00 1.23 H new ATOM 0 HA TYR A 80 -24.117 -17.858 -24.814 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -21.710 -16.337 -24.198 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -21.297 -17.975 -24.665 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -24.304 -17.497 -26.266 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -20.279 -16.108 -26.475 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -24.625 -16.915 -28.631 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -20.602 -15.528 -28.838 1.00 2.18 H new ATOM 0 HH TYR A 80 -21.994 -15.459 -30.562 1.00 2.85 H new ATOM 1248 N VAL A 81 -21.875 -19.294 -22.922 1.00 1.29 N ATOM 1249 CA VAL A 81 -21.454 -20.601 -22.418 1.00 1.39 C ATOM 1250 C VAL A 81 -22.144 -20.972 -21.104 1.00 1.35 C ATOM 1251 O VAL A 81 -22.185 -22.142 -20.726 1.00 1.49 O ATOM 1252 CB VAL A 81 -19.922 -20.658 -22.218 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -19.205 -20.528 -23.551 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -19.456 -19.579 -21.249 1.00 1.72 C ATOM 0 H VAL A 81 -21.158 -18.571 -22.860 1.00 1.29 H new ATOM 0 HA VAL A 81 -21.751 -21.325 -23.177 1.00 1.39 H new ATOM 0 HB VAL A 81 -19.673 -21.627 -21.786 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -18.128 -20.570 -23.390 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -19.506 -21.344 -24.207 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -19.466 -19.576 -24.013 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -18.375 -19.642 -21.127 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -19.720 -18.598 -21.643 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -19.939 -19.724 -20.283 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.694 -19.984 -20.414 1.00 1.42 N ATOM 1265 CA ALA A 82 -23.315 -20.221 -19.117 1.00 1.52 C ATOM 1266 C ALA A 82 -24.837 -20.260 -19.217 1.00 1.59 C ATOM 1267 O ALA A 82 -25.536 -20.167 -18.211 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.873 -19.163 -18.117 1.00 1.66 C ATOM 0 H ALA A 82 -22.724 -19.014 -20.728 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.985 -21.199 -18.767 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -23.345 -19.353 -17.153 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.790 -19.199 -18.004 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -23.167 -18.177 -18.477 1.00 1.66 H new ATOM 1274 N THR A 83 -25.356 -20.395 -20.433 1.00 1.64 N ATOM 1275 CA THR A 83 -26.797 -20.510 -20.622 1.00 1.83 C ATOM 1276 C THR A 83 -27.212 -21.966 -20.844 1.00 2.01 C ATOM 1277 O THR A 83 -28.357 -22.248 -21.201 1.00 2.41 O ATOM 1278 CB THR A 83 -27.276 -19.645 -21.800 1.00 2.14 C ATOM 1279 OG1 THR A 83 -26.292 -18.648 -22.104 1.00 2.59 O ATOM 1280 CG2 THR A 83 -28.599 -18.968 -21.477 1.00 2.65 C ATOM 0 H THR A 83 -24.808 -20.427 -21.293 1.00 1.64 H new ATOM 0 HA THR A 83 -27.271 -20.148 -19.710 1.00 1.83 H new ATOM 0 HB THR A 83 -27.420 -20.296 -22.662 1.00 2.14 H new ATOM 0 HG1 THR A 83 -26.111 -18.112 -21.304 1.00 2.59 H new ATOM 0 HG21 THR A 83 -28.915 -18.363 -22.327 1.00 2.65 H new ATOM 0 HG22 THR A 83 -29.355 -19.726 -21.270 1.00 2.65 H new ATOM 0 HG23 THR A 83 -28.477 -18.330 -20.602 1.00 2.65 H new