USER MOD reduce.3.24.130724 H: found=0, std=0, add=955, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 953 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 25 THR OG1 : rot 151:sc= 0.0431 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= -0.0413 USER MOD Set 2.1: A 7 THR OG1 : rot 152:sc= 1.72 USER MOD Set 2.2: A 9 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.986 (180deg=-0.144) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc=-0.00167 (180deg=-0.103) USER MOD Single : A 3 MET CE :methyl 158:sc= -0.0973 (180deg=-1.01) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.9! (180deg=1.78!) USER MOD Single : A 6 TYR OH : rot 4:sc= 0.805 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.209 X(o=-0.21,f=0.035) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0555 X(o=-0.055,f=-0.0054) USER MOD Single : A 27 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.016) USER MOD Single : A 29 GLN : amide:sc= -4.81! C(o=-4.8!,f=-21!) USER MOD Single : A 31 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.64) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 141:sc= 1.2 (180deg=0.303) USER MOD Single : A 55 SER OG : rot 103:sc= 1.05 USER MOD Single : A 58 SER OG : rot 136:sc= 0.899 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0205 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.47 K(o=0.47,f=-1.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -2:sc= 0.178 USER MOD Single : A 88 ASN : amide:sc= 0.0641 X(o=0.064,f=-0.29) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 149:sc= 1.02 (180deg=-0.362) USER MOD Single : A 100 MET CE :methyl 180:sc= -1.05 (180deg=-1.05) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 CYS SG : rot -70:sc= 0.319 USER MOD Single : A 123 GLN : amide:sc= 1.05 K(o=1,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.885 0.657 -6.982 1.00 0.00 N ATOM 2 CA MET A 1 16.170 0.590 -8.265 1.00 0.00 C ATOM 3 C MET A 1 15.017 -0.391 -8.188 1.00 0.00 C ATOM 4 O MET A 1 15.148 -1.444 -7.574 1.00 0.00 O ATOM 5 CB MET A 1 17.061 0.087 -9.406 1.00 0.00 C ATOM 6 CG MET A 1 18.314 0.895 -9.709 1.00 0.00 C ATOM 7 SD MET A 1 19.212 0.154 -11.095 1.00 0.00 S ATOM 8 CE MET A 1 20.671 1.219 -11.159 1.00 0.00 C ATOM 0 H1 MET A 1 17.084 1.650 -6.747 1.00 0.00 H new ATOM 0 H2 MET A 1 16.297 0.236 -6.235 1.00 0.00 H new ATOM 0 H3 MET A 1 17.780 0.132 -7.056 1.00 0.00 H new ATOM 0 HA MET A 1 15.834 1.608 -8.461 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.364 -0.934 -9.175 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.458 0.043 -10.313 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.044 1.923 -9.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.955 0.931 -8.828 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.326 0.890 -11.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.362 2.249 -11.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.206 1.161 -10.211 1.00 0.00 H new ATOM 18 N LYS A 2 13.943 -0.087 -8.925 1.00 0.00 N ATOM 19 CA LYS A 2 12.980 -1.018 -9.519 1.00 0.00 C ATOM 20 C LYS A 2 12.823 -2.347 -8.762 1.00 0.00 C ATOM 21 O LYS A 2 13.370 -3.370 -9.166 1.00 0.00 O ATOM 22 CB LYS A 2 13.376 -1.205 -10.991 1.00 0.00 C ATOM 23 CG LYS A 2 12.322 -1.997 -11.783 1.00 0.00 C ATOM 24 CD LYS A 2 12.049 -1.369 -13.156 1.00 0.00 C ATOM 25 CE LYS A 2 11.197 -0.101 -12.997 1.00 0.00 C ATOM 26 NZ LYS A 2 9.789 -0.424 -12.684 1.00 0.00 N ATOM 0 H LYS A 2 13.709 0.883 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 2 11.982 -0.587 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 2 13.517 -0.228 -11.454 1.00 0.00 H new ATOM 0 HB3 LYS A 2 14.333 -1.724 -11.044 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.662 -3.024 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.395 -2.039 -11.212 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.991 -1.124 -13.646 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.533 -2.085 -13.796 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.613 0.520 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.241 0.484 -13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.203 0.428 -12.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.452 -1.167 -13.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.720 -0.760 -11.702 1.00 0.00 H new ATOM 40 N MET A 3 12.041 -2.342 -7.685 1.00 0.00 N ATOM 41 CA MET A 3 11.839 -3.485 -6.801 1.00 0.00 C ATOM 42 C MET A 3 10.352 -3.565 -6.465 1.00 0.00 C ATOM 43 O MET A 3 9.696 -2.533 -6.328 1.00 0.00 O ATOM 44 CB MET A 3 12.699 -3.310 -5.536 1.00 0.00 C ATOM 45 CG MET A 3 12.458 -4.398 -4.490 1.00 0.00 C ATOM 46 SD MET A 3 12.783 -6.056 -5.098 1.00 0.00 S ATOM 47 CE MET A 3 14.553 -5.833 -5.358 1.00 0.00 C ATOM 0 H MET A 3 11.515 -1.517 -7.396 1.00 0.00 H new ATOM 0 HA MET A 3 12.144 -4.415 -7.281 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.752 -3.312 -5.817 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.489 -2.336 -5.093 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.092 -4.206 -3.624 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.425 -4.340 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.046 -6.805 -5.360 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.721 -5.339 -6.315 1.00 0.00 H new ATOM 0 HE3 MET A 3 14.964 -5.219 -4.556 1.00 0.00 H new ATOM 57 N LYS A 4 9.799 -4.766 -6.302 1.00 0.00 N ATOM 58 CA LYS A 4 8.372 -4.949 -6.048 1.00 0.00 C ATOM 59 C LYS A 4 8.189 -5.945 -4.906 1.00 0.00 C ATOM 60 O LYS A 4 7.803 -7.097 -5.104 1.00 0.00 O ATOM 61 CB LYS A 4 7.668 -5.252 -7.384 1.00 0.00 C ATOM 62 CG LYS A 4 6.239 -5.778 -7.232 1.00 0.00 C ATOM 63 CD LYS A 4 5.369 -5.468 -8.452 1.00 0.00 C ATOM 64 CE LYS A 4 4.033 -6.169 -8.209 1.00 0.00 C ATOM 65 NZ LYS A 4 2.889 -5.490 -8.834 1.00 0.00 N ATOM 0 H LYS A 4 10.327 -5.638 -6.342 1.00 0.00 H new ATOM 0 HA LYS A 4 7.875 -4.050 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.647 -4.343 -7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.257 -5.985 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.267 -6.856 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.785 -5.337 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.230 -4.393 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.838 -5.829 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.092 -7.188 -8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.860 -6.240 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.017 -6.019 -8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.807 -4.526 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.032 -5.444 -9.863 1.00 0.00 H new ATOM 79 N LYS A 5 8.555 -5.504 -3.699 1.00 0.00 N ATOM 80 CA LYS A 5 8.280 -6.260 -2.478 1.00 0.00 C ATOM 81 C LYS A 5 6.840 -6.040 -2.013 1.00 0.00 C ATOM 82 O LYS A 5 6.100 -5.235 -2.586 1.00 0.00 O ATOM 83 CB LYS A 5 9.310 -5.896 -1.399 1.00 0.00 C ATOM 84 CG LYS A 5 10.704 -6.416 -1.777 1.00 0.00 C ATOM 85 CD LYS A 5 10.990 -7.850 -1.330 1.00 0.00 C ATOM 86 CE LYS A 5 12.490 -8.123 -1.490 1.00 0.00 C ATOM 87 NZ LYS A 5 12.933 -8.336 -2.878 1.00 0.00 N ATOM 0 H LYS A 5 9.045 -4.623 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 5 8.378 -7.326 -2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.343 -4.814 -1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.006 -6.320 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.818 -6.357 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.454 -5.757 -1.341 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.689 -7.990 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.412 -8.555 -1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.045 -7.284 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.750 -9.003 -0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.970 -8.277 -2.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.625 -9.276 -3.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.517 -7.606 -3.491 1.00 0.00 H new ATOM 101 N TYR A 6 6.466 -6.759 -0.959 1.00 0.00 N ATOM 102 CA TYR A 6 5.160 -6.788 -0.319 1.00 0.00 C ATOM 103 C TYR A 6 5.351 -6.786 1.197 1.00 0.00 C ATOM 104 O TYR A 6 6.461 -6.993 1.698 1.00 0.00 O ATOM 105 CB TYR A 6 4.419 -8.064 -0.749 1.00 0.00 C ATOM 106 CG TYR A 6 4.125 -8.156 -2.231 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.145 -8.511 -3.132 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.834 -7.878 -2.712 1.00 0.00 C ATOM 109 CE1 TYR A 6 4.892 -8.538 -4.510 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.559 -7.964 -4.087 1.00 0.00 C ATOM 111 CZ TYR A 6 3.589 -8.294 -4.994 1.00 0.00 C ATOM 112 OH TYR A 6 3.299 -8.381 -6.321 1.00 0.00 O ATOM 0 H TYR A 6 7.123 -7.386 -0.495 1.00 0.00 H new ATOM 0 HA TYR A 6 4.577 -5.915 -0.613 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.014 -8.929 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.478 -8.124 -0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.127 -8.764 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.051 -7.598 -2.023 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.695 -8.746 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.559 -7.778 -4.450 1.00 0.00 H new ATOM 0 HH TYR A 6 4.094 -8.678 -6.811 1.00 0.00 H new ATOM 122 N THR A 7 4.268 -6.586 1.941 1.00 0.00 N ATOM 123 CA THR A 7 4.235 -6.573 3.382 1.00 0.00 C ATOM 124 C THR A 7 3.558 -7.840 3.871 1.00 0.00 C ATOM 125 O THR A 7 3.006 -8.637 3.103 1.00 0.00 O ATOM 126 CB THR A 7 3.447 -5.350 3.864 1.00 0.00 C ATOM 127 OG1 THR A 7 2.090 -5.509 3.538 1.00 0.00 O ATOM 128 CG2 THR A 7 3.962 -4.047 3.277 1.00 0.00 C ATOM 0 H THR A 7 3.351 -6.422 1.527 1.00 0.00 H new ATOM 0 HA THR A 7 5.250 -6.523 3.775 1.00 0.00 H new ATOM 0 HB THR A 7 3.578 -5.288 4.944 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.539 -5.022 4.186 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.365 -3.217 3.655 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.004 -3.905 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.887 -4.083 2.190 1.00 0.00 H new ATOM 136 N LYS A 8 3.579 -8.001 5.185 1.00 0.00 N ATOM 137 CA LYS A 8 2.884 -9.077 5.871 1.00 0.00 C ATOM 138 C LYS A 8 1.394 -8.736 5.941 1.00 0.00 C ATOM 139 O LYS A 8 0.555 -9.616 5.798 1.00 0.00 O ATOM 140 CB LYS A 8 3.524 -9.330 7.251 1.00 0.00 C ATOM 141 CG LYS A 8 5.067 -9.345 7.172 1.00 0.00 C ATOM 142 CD LYS A 8 5.758 -9.786 8.458 1.00 0.00 C ATOM 143 CE LYS A 8 5.390 -11.235 8.758 1.00 0.00 C ATOM 144 NZ LYS A 8 6.562 -12.093 9.018 1.00 0.00 N ATOM 0 H LYS A 8 4.087 -7.378 5.813 1.00 0.00 H new ATOM 0 HA LYS A 8 2.978 -10.014 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.203 -8.556 7.948 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.171 -10.282 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.371 -10.010 6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.415 -8.346 6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.839 -9.687 8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.456 -9.144 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.729 -11.263 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.830 -11.642 7.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.245 -13.064 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.183 -12.094 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.085 -11.727 9.839 1.00 0.00 H new ATOM 158 N THR A 9 1.049 -7.458 6.040 1.00 0.00 N ATOM 159 CA THR A 9 -0.293 -6.942 6.281 1.00 0.00 C ATOM 160 C THR A 9 -1.096 -6.706 4.985 1.00 0.00 C ATOM 161 O THR A 9 -1.999 -5.882 4.958 1.00 0.00 O ATOM 162 CB THR A 9 -0.140 -5.700 7.187 1.00 0.00 C ATOM 163 OG1 THR A 9 0.999 -4.939 6.822 1.00 0.00 O ATOM 164 CG2 THR A 9 0.150 -6.137 8.627 1.00 0.00 C ATOM 0 H THR A 9 1.738 -6.711 5.949 1.00 0.00 H new ATOM 0 HA THR A 9 -0.906 -7.682 6.795 1.00 0.00 H new ATOM 0 HB THR A 9 -1.063 -5.129 7.088 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.725 -4.197 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.257 -5.256 9.260 1.00 0.00 H new ATOM 0 HG22 THR A 9 -0.673 -6.750 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.073 -6.716 8.653 1.00 0.00 H new ATOM 172 N HIS A 10 -0.843 -7.466 3.909 1.00 0.00 N ATOM 173 CA HIS A 10 -1.620 -7.410 2.661 1.00 0.00 C ATOM 174 C HIS A 10 -1.469 -6.065 1.931 1.00 0.00 C ATOM 175 O HIS A 10 -2.445 -5.527 1.405 1.00 0.00 O ATOM 176 CB HIS A 10 -3.101 -7.791 2.879 1.00 0.00 C ATOM 177 CG HIS A 10 -3.349 -8.965 3.782 1.00 0.00 C ATOM 178 ND1 HIS A 10 -3.226 -10.296 3.438 1.00 0.00 N ATOM 179 CD2 HIS A 10 -3.749 -8.892 5.085 1.00 0.00 C ATOM 180 CE1 HIS A 10 -3.544 -11.021 4.520 1.00 0.00 C ATOM 181 NE2 HIS A 10 -3.862 -10.192 5.529 1.00 0.00 N ATOM 0 H HIS A 10 -0.083 -8.146 3.881 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.194 -8.166 2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.622 -6.926 3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.549 -8.003 1.908 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.939 -7.994 5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -3.545 -12.100 4.572 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.141 -10.478 6.468 1.00 0.00 H new ATOM 190 N GLU A 11 -0.257 -5.512 1.865 1.00 0.00 N ATOM 191 CA GLU A 11 0.079 -4.358 1.040 1.00 0.00 C ATOM 192 C GLU A 11 1.252 -4.701 0.124 1.00 0.00 C ATOM 193 O GLU A 11 2.131 -5.496 0.458 1.00 0.00 O ATOM 194 CB GLU A 11 0.411 -3.106 1.866 1.00 0.00 C ATOM 195 CG GLU A 11 -0.652 -2.676 2.892 1.00 0.00 C ATOM 196 CD GLU A 11 -0.414 -3.137 4.340 1.00 0.00 C ATOM 197 OE1 GLU A 11 0.671 -3.690 4.647 1.00 0.00 O ATOM 198 OE2 GLU A 11 -1.291 -2.884 5.197 1.00 0.00 O ATOM 0 H GLU A 11 0.537 -5.866 2.399 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.806 -4.122 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.348 -3.281 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.582 -2.277 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.718 -1.588 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.620 -3.056 2.565 1.00 0.00 H new ATOM 205 N TRP A 12 1.291 -4.064 -1.040 1.00 0.00 N ATOM 206 CA TRP A 12 2.411 -4.152 -1.971 1.00 0.00 C ATOM 207 C TRP A 12 3.250 -2.877 -1.944 1.00 0.00 C ATOM 208 O TRP A 12 2.888 -1.873 -1.328 1.00 0.00 O ATOM 209 CB TRP A 12 1.890 -4.432 -3.377 1.00 0.00 C ATOM 210 CG TRP A 12 0.885 -3.447 -3.870 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.438 -3.604 -3.694 1.00 0.00 C ATOM 212 CD2 TRP A 12 1.039 -2.187 -4.602 1.00 0.00 C ATOM 213 NE1 TRP A 12 -1.112 -2.562 -4.273 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.261 -1.691 -4.900 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.118 -1.426 -5.096 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.491 -0.579 -5.718 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.902 -0.298 -5.910 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.603 0.125 -6.232 1.00 0.00 C ATOM 0 H TRP A 12 0.535 -3.463 -1.369 1.00 0.00 H new ATOM 0 HA TRP A 12 3.057 -4.974 -1.664 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.734 -4.448 -4.067 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.445 -5.427 -3.395 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.901 -4.429 -3.173 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.125 -2.448 -4.241 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.128 -1.714 -4.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.499 -0.269 -5.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.750 0.251 -6.293 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.450 0.984 -6.869 1.00 0.00 H new ATOM 229 N VAL A 13 4.381 -2.921 -2.644 1.00 0.00 N ATOM 230 CA VAL A 13 5.316 -1.825 -2.809 1.00 0.00 C ATOM 231 C VAL A 13 5.779 -1.844 -4.273 1.00 0.00 C ATOM 232 O VAL A 13 5.772 -2.897 -4.915 1.00 0.00 O ATOM 233 CB VAL A 13 6.510 -2.005 -1.838 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.158 -0.659 -1.552 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.164 -2.648 -0.484 1.00 0.00 C ATOM 0 H VAL A 13 4.679 -3.765 -3.133 1.00 0.00 H new ATOM 0 HA VAL A 13 4.853 -0.866 -2.578 1.00 0.00 H new ATOM 0 HB VAL A 13 7.180 -2.691 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.996 -0.796 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.518 -0.223 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.425 0.008 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.067 -2.729 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.433 -2.029 0.036 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.747 -3.641 -0.649 1.00 0.00 H new ATOM 245 N SER A 14 6.168 -0.692 -4.816 1.00 0.00 N ATOM 246 CA SER A 14 6.727 -0.554 -6.155 1.00 0.00 C ATOM 247 C SER A 14 7.808 0.504 -6.151 1.00 0.00 C ATOM 248 O SER A 14 7.582 1.657 -6.504 1.00 0.00 O ATOM 249 CB SER A 14 5.647 -0.177 -7.167 1.00 0.00 C ATOM 250 OG SER A 14 5.210 -1.302 -7.901 1.00 0.00 O ATOM 0 H SER A 14 6.100 0.196 -4.320 1.00 0.00 H new ATOM 0 HA SER A 14 7.151 -1.515 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.800 0.271 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.036 0.577 -7.852 1.00 0.00 H new ATOM 0 HG SER A 14 4.518 -1.028 -8.539 1.00 0.00 H new ATOM 256 N ILE A 15 8.993 0.099 -5.724 1.00 0.00 N ATOM 257 CA ILE A 15 10.199 0.886 -5.847 1.00 0.00 C ATOM 258 C ILE A 15 10.537 1.033 -7.327 1.00 0.00 C ATOM 259 O ILE A 15 10.254 0.158 -8.145 1.00 0.00 O ATOM 260 CB ILE A 15 11.294 0.174 -5.018 1.00 0.00 C ATOM 261 CG1 ILE A 15 11.107 0.508 -3.531 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.766 0.347 -5.446 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.588 -0.659 -2.692 1.00 0.00 C ATOM 0 H ILE A 15 9.141 -0.804 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 15 10.093 1.899 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 15 11.127 -0.883 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.061 0.841 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.413 1.343 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.410 -0.212 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.896 -0.028 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 15 13.033 1.403 -5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.483 -0.343 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.618 -0.979 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 15 11.292 -1.489 -2.749 1.00 0.00 H new ATOM 275 N GLU A 16 11.172 2.147 -7.668 1.00 0.00 N ATOM 276 CA GLU A 16 11.461 2.565 -9.025 1.00 0.00 C ATOM 277 C GLU A 16 12.835 3.229 -9.053 1.00 0.00 C ATOM 278 O GLU A 16 13.762 2.684 -9.658 1.00 0.00 O ATOM 279 CB GLU A 16 10.337 3.474 -9.563 1.00 0.00 C ATOM 280 CG GLU A 16 9.724 4.450 -8.541 1.00 0.00 C ATOM 281 CD GLU A 16 8.763 5.422 -9.210 1.00 0.00 C ATOM 282 OE1 GLU A 16 7.620 5.011 -9.529 1.00 0.00 O ATOM 283 OE2 GLU A 16 9.116 6.604 -9.384 1.00 0.00 O ATOM 0 H GLU A 16 11.513 2.810 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 16 11.494 1.703 -9.692 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.730 4.052 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.541 2.843 -9.958 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.197 3.888 -7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.519 5.006 -8.044 1.00 0.00 H new ATOM 290 N ASP A 17 12.959 4.368 -8.383 1.00 0.00 N ATOM 291 CA ASP A 17 14.079 5.299 -8.392 1.00 0.00 C ATOM 292 C ASP A 17 14.514 5.537 -6.947 1.00 0.00 C ATOM 293 O ASP A 17 15.442 4.894 -6.465 1.00 0.00 O ATOM 294 CB ASP A 17 13.634 6.588 -9.105 1.00 0.00 C ATOM 295 CG ASP A 17 14.822 7.474 -9.463 1.00 0.00 C ATOM 296 OD1 ASP A 17 15.199 8.332 -8.637 1.00 0.00 O ATOM 297 OD2 ASP A 17 15.329 7.328 -10.599 1.00 0.00 O ATOM 0 H ASP A 17 12.214 4.691 -7.766 1.00 0.00 H new ATOM 0 HA ASP A 17 14.938 4.905 -8.935 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.085 6.332 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.948 7.141 -8.463 1.00 0.00 H new ATOM 302 N LYS A 18 13.748 6.364 -6.235 1.00 0.00 N ATOM 303 CA LYS A 18 13.859 6.703 -4.812 1.00 0.00 C ATOM 304 C LYS A 18 12.476 6.790 -4.160 1.00 0.00 C ATOM 305 O LYS A 18 12.373 7.238 -3.021 1.00 0.00 O ATOM 306 CB LYS A 18 14.610 8.032 -4.614 1.00 0.00 C ATOM 307 CG LYS A 18 16.099 7.962 -4.980 1.00 0.00 C ATOM 308 CD LYS A 18 16.809 9.292 -4.684 1.00 0.00 C ATOM 309 CE LYS A 18 16.769 10.214 -5.903 1.00 0.00 C ATOM 310 NZ LYS A 18 17.452 11.497 -5.638 1.00 0.00 N ATOM 0 H LYS A 18 12.969 6.856 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 18 14.427 5.906 -4.331 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.132 8.802 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.515 8.341 -3.573 1.00 0.00 H new ATOM 0 HG2 LYS A 18 16.577 7.159 -4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 18 16.205 7.718 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.332 9.783 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.844 9.101 -4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 18 17.242 9.718 -6.751 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.733 10.404 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.405 12.097 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.985 11.982 -4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.447 11.317 -5.396 1.00 0.00 H new ATOM 324 N VAL A 19 11.413 6.375 -4.846 1.00 0.00 N ATOM 325 CA VAL A 19 10.029 6.424 -4.386 1.00 0.00 C ATOM 326 C VAL A 19 9.472 4.998 -4.483 1.00 0.00 C ATOM 327 O VAL A 19 10.006 4.192 -5.244 1.00 0.00 O ATOM 328 CB VAL A 19 9.265 7.450 -5.257 1.00 0.00 C ATOM 329 CG1 VAL A 19 7.795 7.608 -4.858 1.00 0.00 C ATOM 330 CG2 VAL A 19 9.898 8.851 -5.166 1.00 0.00 C ATOM 0 H VAL A 19 11.499 5.977 -5.781 1.00 0.00 H new ATOM 0 HA VAL A 19 9.928 6.754 -3.352 1.00 0.00 H new ATOM 0 HB VAL A 19 9.328 7.049 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.318 8.342 -5.508 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.286 6.649 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.733 7.946 -3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.336 9.546 -5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.876 9.194 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.931 8.807 -5.512 1.00 0.00 H new ATOM 340 N ALA A 20 8.451 4.652 -3.706 1.00 0.00 N ATOM 341 CA ALA A 20 7.633 3.466 -3.874 1.00 0.00 C ATOM 342 C ALA A 20 6.190 3.896 -3.973 1.00 0.00 C ATOM 343 O ALA A 20 5.745 4.719 -3.173 1.00 0.00 O ATOM 344 CB ALA A 20 7.725 2.536 -2.666 1.00 0.00 C ATOM 0 H ALA A 20 8.162 5.218 -2.908 1.00 0.00 H new ATOM 0 HA ALA A 20 7.984 2.944 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.098 1.660 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.759 2.221 -2.528 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.384 3.063 -1.775 1.00 0.00 H new ATOM 350 N THR A 21 5.446 3.261 -4.866 1.00 0.00 N ATOM 351 CA THR A 21 3.985 3.285 -4.788 1.00 0.00 C ATOM 352 C THR A 21 3.539 2.190 -3.811 1.00 0.00 C ATOM 353 O THR A 21 4.165 1.125 -3.762 1.00 0.00 O ATOM 354 CB THR A 21 3.368 3.150 -6.194 1.00 0.00 C ATOM 355 OG1 THR A 21 4.036 4.024 -7.086 1.00 0.00 O ATOM 356 CG2 THR A 21 1.868 3.474 -6.212 1.00 0.00 C ATOM 0 H THR A 21 5.822 2.726 -5.649 1.00 0.00 H new ATOM 0 HA THR A 21 3.626 4.240 -4.404 1.00 0.00 H new ATOM 0 HB THR A 21 3.488 2.111 -6.501 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.646 3.938 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.484 3.363 -7.226 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.340 2.790 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.713 4.499 -5.875 1.00 0.00 H new ATOM 364 N VAL A 22 2.484 2.462 -3.039 1.00 0.00 N ATOM 365 CA VAL A 22 1.803 1.562 -2.116 1.00 0.00 C ATOM 366 C VAL A 22 0.315 1.445 -2.499 1.00 0.00 C ATOM 367 O VAL A 22 -0.340 2.445 -2.820 1.00 0.00 O ATOM 368 CB VAL A 22 1.941 2.115 -0.676 1.00 0.00 C ATOM 369 CG1 VAL A 22 1.499 1.084 0.376 1.00 0.00 C ATOM 370 CG2 VAL A 22 3.372 2.575 -0.337 1.00 0.00 C ATOM 0 H VAL A 22 2.055 3.387 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 22 2.254 0.571 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 22 1.283 2.984 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.611 1.510 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.455 0.819 0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.118 0.190 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.401 2.951 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.057 1.733 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.672 3.367 -1.023 1.00 0.00 H new ATOM 380 N GLY A 23 -0.241 0.242 -2.345 1.00 0.00 N ATOM 381 CA GLY A 23 -1.667 -0.022 -2.199 1.00 0.00 C ATOM 382 C GLY A 23 -1.856 -1.336 -1.438 1.00 0.00 C ATOM 383 O GLY A 23 -0.872 -2.018 -1.121 1.00 0.00 O ATOM 0 H GLY A 23 0.318 -0.610 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.148 0.796 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.141 -0.083 -3.179 1.00 0.00 H new ATOM 387 N ILE A 24 -3.100 -1.689 -1.102 1.00 0.00 N ATOM 388 CA ILE A 24 -3.392 -3.012 -0.539 1.00 0.00 C ATOM 389 C ILE A 24 -3.313 -4.052 -1.656 1.00 0.00 C ATOM 390 O ILE A 24 -3.300 -3.701 -2.829 1.00 0.00 O ATOM 391 CB ILE A 24 -4.747 -3.071 0.196 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.962 -3.011 -0.751 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.790 -1.979 1.271 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.307 -3.103 -0.020 1.00 0.00 C ATOM 0 H ILE A 24 -3.915 -1.084 -1.208 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.643 -3.230 0.222 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.824 -4.046 0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.927 -2.080 -1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.892 -3.825 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.747 -2.019 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.982 -2.139 1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.672 -1.002 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.119 -3.055 -0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.362 -4.046 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.397 -2.274 0.682 1.00 0.00 H new ATOM 406 N THR A 25 -3.246 -5.335 -1.326 1.00 0.00 N ATOM 407 CA THR A 25 -3.214 -6.404 -2.318 1.00 0.00 C ATOM 408 C THR A 25 -4.616 -6.918 -2.704 1.00 0.00 C ATOM 409 O THR A 25 -5.630 -6.562 -2.106 1.00 0.00 O ATOM 410 CB THR A 25 -2.321 -7.520 -1.778 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.769 -8.048 -0.550 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.871 -7.051 -1.618 1.00 0.00 C ATOM 0 H THR A 25 -3.212 -5.665 -0.362 1.00 0.00 H new ATOM 0 HA THR A 25 -2.803 -6.011 -3.248 1.00 0.00 H new ATOM 0 HB THR A 25 -2.374 -8.313 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.501 -8.988 -0.481 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.264 -7.870 -1.232 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.482 -6.736 -2.586 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.834 -6.213 -0.922 1.00 0.00 H new ATOM 420 N ASN A 26 -4.696 -7.800 -3.705 1.00 0.00 N ATOM 421 CA ASN A 26 -5.913 -8.480 -4.168 1.00 0.00 C ATOM 422 C ASN A 26 -6.442 -9.610 -3.260 1.00 0.00 C ATOM 423 O ASN A 26 -7.367 -10.340 -3.606 1.00 0.00 O ATOM 424 CB ASN A 26 -5.650 -9.057 -5.543 1.00 0.00 C ATOM 425 CG ASN A 26 -5.158 -10.508 -5.607 1.00 0.00 C ATOM 426 OD1 ASN A 26 -3.970 -10.787 -5.464 1.00 0.00 O ATOM 427 ND2 ASN A 26 -6.042 -11.446 -5.913 1.00 0.00 N ATOM 0 H ASN A 26 -3.873 -8.074 -4.242 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.689 -7.715 -4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.571 -8.986 -6.122 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.912 -8.427 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.739 -12.413 -6.033 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.025 -11.202 -6.029 1.00 0.00 H new ATOM 434 N HIS A 27 -5.867 -9.719 -2.082 1.00 0.00 N ATOM 435 CA HIS A 27 -6.330 -10.531 -0.937 1.00 0.00 C ATOM 436 C HIS A 27 -7.055 -9.693 0.127 1.00 0.00 C ATOM 437 O HIS A 27 -7.410 -10.192 1.195 1.00 0.00 O ATOM 438 CB HIS A 27 -5.103 -11.212 -0.322 1.00 0.00 C ATOM 439 CG HIS A 27 -5.344 -12.442 0.534 1.00 0.00 C ATOM 440 ND1 HIS A 27 -5.173 -13.741 0.098 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.585 -12.481 1.884 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.302 -14.555 1.162 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.523 -13.815 2.266 1.00 0.00 N ATOM 0 H HIS A 27 -5.006 -9.216 -1.867 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.053 -11.263 -1.297 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.431 -11.492 -1.133 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.578 -10.475 0.286 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.785 -11.636 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.238 -15.633 1.135 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.627 -14.172 3.216 1.00 0.00 H new ATOM 452 N ALA A 28 -7.187 -8.390 -0.086 1.00 0.00 N ATOM 453 CA ALA A 28 -7.526 -7.418 0.943 1.00 0.00 C ATOM 454 C ALA A 28 -8.842 -6.703 0.598 1.00 0.00 C ATOM 455 O ALA A 28 -9.830 -6.797 1.330 1.00 0.00 O ATOM 456 CB ALA A 28 -6.309 -6.499 1.038 1.00 0.00 C ATOM 0 H ALA A 28 -7.057 -7.969 -1.006 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.720 -7.865 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.487 -5.736 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.431 -7.084 1.312 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.139 -6.020 0.074 1.00 0.00 H new ATOM 462 N GLN A 29 -8.865 -6.048 -0.564 1.00 0.00 N ATOM 463 CA GLN A 29 -10.016 -5.516 -1.291 1.00 0.00 C ATOM 464 C GLN A 29 -11.208 -6.486 -1.271 1.00 0.00 C ATOM 465 O GLN A 29 -12.335 -6.088 -1.007 1.00 0.00 O ATOM 466 CB GLN A 29 -9.528 -5.126 -2.711 1.00 0.00 C ATOM 467 CG GLN A 29 -9.512 -6.096 -3.888 1.00 0.00 C ATOM 468 CD GLN A 29 -8.949 -7.438 -3.590 1.00 0.00 C ATOM 469 OE1 GLN A 29 -8.319 -7.704 -2.579 1.00 0.00 O ATOM 470 NE2 GLN A 29 -9.136 -8.381 -4.461 1.00 0.00 N ATOM 0 H GLN A 29 -7.997 -5.860 -1.065 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.408 -4.623 -0.805 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.134 -4.275 -3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.506 -4.764 -2.597 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.532 -6.219 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.937 -5.650 -4.699 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.659 -8.189 -5.316 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.761 -9.314 -4.291 1.00 0.00 H new ATOM 479 N GLU A 30 -10.918 -7.771 -1.458 1.00 0.00 N ATOM 480 CA GLU A 30 -11.802 -8.921 -1.477 1.00 0.00 C ATOM 481 C GLU A 30 -12.643 -8.963 -0.199 1.00 0.00 C ATOM 482 O GLU A 30 -13.873 -9.001 -0.256 1.00 0.00 O ATOM 483 CB GLU A 30 -10.885 -10.156 -1.661 1.00 0.00 C ATOM 484 CG GLU A 30 -10.832 -10.664 -3.107 1.00 0.00 C ATOM 485 CD GLU A 30 -11.591 -11.962 -3.378 1.00 0.00 C ATOM 486 OE1 GLU A 30 -10.981 -13.053 -3.290 1.00 0.00 O ATOM 487 OE2 GLU A 30 -12.718 -11.877 -3.912 1.00 0.00 O ATOM 0 H GLU A 30 -9.952 -8.057 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.528 -8.885 -2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.876 -9.902 -1.336 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.236 -10.960 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.230 -9.888 -3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.788 -10.810 -3.384 1.00 0.00 H new ATOM 494 N GLN A 31 -11.996 -8.905 0.967 1.00 0.00 N ATOM 495 CA GLN A 31 -12.683 -8.981 2.250 1.00 0.00 C ATOM 496 C GLN A 31 -13.460 -7.698 2.545 1.00 0.00 C ATOM 497 O GLN A 31 -14.540 -7.759 3.139 1.00 0.00 O ATOM 498 CB GLN A 31 -11.665 -9.244 3.368 1.00 0.00 C ATOM 499 CG GLN A 31 -10.877 -10.553 3.227 1.00 0.00 C ATOM 500 CD GLN A 31 -11.782 -11.781 3.259 1.00 0.00 C ATOM 501 OE1 GLN A 31 -12.502 -12.095 2.312 1.00 0.00 O ATOM 502 NE2 GLN A 31 -11.827 -12.473 4.380 1.00 0.00 N ATOM 0 H GLN A 31 -10.984 -8.804 1.044 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.398 -9.803 2.203 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.960 -8.414 3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.190 -9.254 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.320 -10.540 2.290 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.146 -10.623 4.032 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.230 -12.212 5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.459 -13.269 4.463 1.00 0.00 H new ATOM 511 N LEU A 32 -12.917 -6.550 2.133 1.00 0.00 N ATOM 512 CA LEU A 32 -13.519 -5.235 2.321 1.00 0.00 C ATOM 513 C LEU A 32 -14.816 -5.134 1.531 1.00 0.00 C ATOM 514 O LEU A 32 -15.826 -4.737 2.110 1.00 0.00 O ATOM 515 CB LEU A 32 -12.519 -4.131 1.915 1.00 0.00 C ATOM 516 CG LEU A 32 -11.526 -3.661 3.007 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.928 -2.305 3.598 1.00 0.00 C ATOM 518 CD2 LEU A 32 -11.301 -4.657 4.157 1.00 0.00 C ATOM 0 H LEU A 32 -12.021 -6.512 1.646 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.760 -5.096 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.943 -4.490 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.087 -3.265 1.575 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.580 -3.578 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.206 -2.012 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.947 -1.555 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.918 -2.383 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.591 -4.236 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.248 -4.851 4.661 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.905 -5.590 3.758 1.00 0.00 H new ATOM 530 N GLY A 33 -14.818 -5.517 0.257 1.00 0.00 N ATOM 531 CA GLY A 33 -15.971 -5.379 -0.612 1.00 0.00 C ATOM 532 C GLY A 33 -16.079 -3.958 -1.151 1.00 0.00 C ATOM 533 O GLY A 33 -15.090 -3.218 -1.219 1.00 0.00 O ATOM 0 H GLY A 33 -14.008 -5.936 -0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.892 -6.082 -1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.878 -5.634 -0.063 1.00 0.00 H new ATOM 537 N ASP A 34 -17.292 -3.607 -1.573 1.00 0.00 N ATOM 538 CA ASP A 34 -17.679 -2.325 -2.152 1.00 0.00 C ATOM 539 C ASP A 34 -17.159 -1.198 -1.265 1.00 0.00 C ATOM 540 O ASP A 34 -17.361 -1.250 -0.044 1.00 0.00 O ATOM 541 CB ASP A 34 -19.210 -2.259 -2.252 1.00 0.00 C ATOM 542 CG ASP A 34 -19.702 -1.783 -3.608 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.946 -0.569 -3.791 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.042 -2.655 -4.439 1.00 0.00 O ATOM 0 H ASP A 34 -18.080 -4.252 -1.515 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.252 -2.219 -3.149 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.624 -3.247 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.589 -1.590 -1.480 1.00 0.00 H new ATOM 549 N VAL A 35 -16.448 -0.215 -1.834 1.00 0.00 N ATOM 550 CA VAL A 35 -15.811 0.820 -1.025 1.00 0.00 C ATOM 551 C VAL A 35 -16.206 2.239 -1.387 1.00 0.00 C ATOM 552 O VAL A 35 -16.720 2.535 -2.461 1.00 0.00 O ATOM 553 CB VAL A 35 -14.345 0.510 -0.724 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.270 0.216 -1.729 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.785 1.337 0.414 1.00 0.00 C ATOM 0 H VAL A 35 -16.303 -0.119 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.250 0.780 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.584 -0.531 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.328 0.034 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.543 -0.667 -2.306 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.157 1.067 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.741 1.070 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.854 2.395 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.357 1.142 1.321 1.00 0.00 H new ATOM 565 N VAL A 36 -16.064 3.073 -0.367 1.00 0.00 N ATOM 566 CA VAL A 36 -16.927 4.180 -0.034 1.00 0.00 C ATOM 567 C VAL A 36 -16.136 5.234 0.727 1.00 0.00 C ATOM 568 O VAL A 36 -16.454 6.416 0.621 1.00 0.00 O ATOM 569 CB VAL A 36 -18.075 3.675 0.863 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.215 3.077 0.029 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.693 2.679 1.965 1.00 0.00 C ATOM 0 H VAL A 36 -15.289 2.982 0.289 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.329 4.613 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 36 -18.393 4.580 1.380 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.008 2.731 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.611 3.837 -0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.837 2.237 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.584 2.399 2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.253 1.789 1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.970 3.140 2.638 1.00 0.00 H new ATOM 581 N TYR A 37 -15.127 4.839 1.502 1.00 0.00 N ATOM 582 CA TYR A 37 -14.217 5.816 2.107 1.00 0.00 C ATOM 583 C TYR A 37 -12.803 5.270 2.233 1.00 0.00 C ATOM 584 O TYR A 37 -12.598 4.071 2.425 1.00 0.00 O ATOM 585 CB TYR A 37 -14.718 6.313 3.478 1.00 0.00 C ATOM 586 CG TYR A 37 -13.792 7.360 4.082 1.00 0.00 C ATOM 587 CD1 TYR A 37 -13.703 8.625 3.470 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.894 7.021 5.117 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.710 9.536 3.867 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.891 7.929 5.511 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.798 9.193 4.885 1.00 0.00 C ATOM 592 OH TYR A 37 -10.824 10.084 5.221 1.00 0.00 O ATOM 0 H TYR A 37 -14.919 3.866 1.725 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.198 6.669 1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.717 6.734 3.367 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.802 5.467 4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.401 8.896 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.976 6.063 5.608 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.645 10.503 3.390 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.194 7.659 6.291 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.272 9.710 5.939 1.00 0.00 H new ATOM 602 N VAL A 38 -11.822 6.170 2.175 1.00 0.00 N ATOM 603 CA VAL A 38 -10.441 5.882 2.504 1.00 0.00 C ATOM 604 C VAL A 38 -9.719 7.167 2.877 1.00 0.00 C ATOM 605 O VAL A 38 -9.836 8.212 2.220 1.00 0.00 O ATOM 606 CB VAL A 38 -9.789 5.074 1.367 1.00 0.00 C ATOM 607 CG1 VAL A 38 -10.109 5.597 -0.039 1.00 0.00 C ATOM 608 CG2 VAL A 38 -8.273 4.960 1.492 1.00 0.00 C ATOM 0 H VAL A 38 -11.976 7.138 1.891 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.374 5.246 3.387 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.240 4.089 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.612 4.973 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.186 5.566 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.757 6.624 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.882 4.378 0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.831 5.956 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -8.021 4.464 2.430 1.00 0.00 H new ATOM 618 N ASP A 39 -8.991 7.081 3.985 1.00 0.00 N ATOM 619 CA ASP A 39 -8.082 8.102 4.424 1.00 0.00 C ATOM 620 C ASP A 39 -6.879 8.149 3.486 1.00 0.00 C ATOM 621 O ASP A 39 -6.430 7.101 3.018 1.00 0.00 O ATOM 622 CB ASP A 39 -7.593 7.846 5.859 1.00 0.00 C ATOM 623 CG ASP A 39 -6.798 9.060 6.348 1.00 0.00 C ATOM 624 OD1 ASP A 39 -7.278 10.201 6.144 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.696 8.888 6.910 1.00 0.00 O ATOM 0 H ASP A 39 -9.027 6.275 4.609 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.614 9.053 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.442 7.664 6.518 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.969 6.953 5.889 1.00 0.00 H new ATOM 630 N LEU A 40 -6.315 9.333 3.245 1.00 0.00 N ATOM 631 CA LEU A 40 -4.985 9.470 2.667 1.00 0.00 C ATOM 632 C LEU A 40 -4.163 10.446 3.496 1.00 0.00 C ATOM 633 O LEU A 40 -4.723 11.359 4.116 1.00 0.00 O ATOM 634 CB LEU A 40 -5.044 9.909 1.195 1.00 0.00 C ATOM 635 CG LEU A 40 -5.394 8.719 0.285 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.794 8.840 -0.303 1.00 0.00 C ATOM 637 CD2 LEU A 40 -4.374 8.616 -0.837 1.00 0.00 C ATOM 0 H LEU A 40 -6.771 10.223 3.447 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.503 8.493 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.788 10.696 1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.084 10.330 0.897 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.371 7.817 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.997 7.978 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.526 8.877 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.862 9.752 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.624 7.772 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.384 9.535 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.381 8.467 -0.413 1.00 0.00 H new ATOM 649 N PRO A 41 -2.835 10.274 3.498 1.00 0.00 N ATOM 650 CA PRO A 41 -1.927 11.119 4.246 1.00 0.00 C ATOM 651 C PRO A 41 -1.605 12.407 3.493 1.00 0.00 C ATOM 652 O PRO A 41 -2.020 12.596 2.345 1.00 0.00 O ATOM 653 CB PRO A 41 -0.703 10.247 4.450 1.00 0.00 C ATOM 654 CG PRO A 41 -0.666 9.329 3.232 1.00 0.00 C ATOM 655 CD PRO A 41 -2.118 9.199 2.823 1.00 0.00 C ATOM 0 HA PRO A 41 -2.350 11.459 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.203 10.849 4.519 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.776 9.674 5.374 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.063 9.755 2.430 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.232 8.359 3.477 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.225 9.280 1.741 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.517 8.226 3.111 1.00 0.00 H new ATOM 663 N GLU A 42 -0.839 13.289 4.134 1.00 0.00 N ATOM 664 CA GLU A 42 -0.258 14.447 3.470 1.00 0.00 C ATOM 665 C GLU A 42 0.986 14.015 2.706 1.00 0.00 C ATOM 666 O GLU A 42 1.802 13.247 3.215 1.00 0.00 O ATOM 667 CB GLU A 42 0.139 15.531 4.476 1.00 0.00 C ATOM 668 CG GLU A 42 0.365 16.862 3.751 1.00 0.00 C ATOM 669 CD GLU A 42 1.014 17.902 4.650 1.00 0.00 C ATOM 670 OE1 GLU A 42 0.635 18.002 5.840 1.00 0.00 O ATOM 671 OE2 GLU A 42 1.867 18.678 4.159 1.00 0.00 O ATOM 0 H GLU A 42 -0.606 13.218 5.125 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.007 14.858 2.794 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.642 15.645 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.047 15.235 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.995 16.696 2.877 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.590 17.243 3.388 1.00 0.00 H new ATOM 678 N VAL A 43 1.182 14.596 1.530 1.00 0.00 N ATOM 679 CA VAL A 43 2.245 14.369 0.561 1.00 0.00 C ATOM 680 C VAL A 43 3.653 14.831 1.008 1.00 0.00 C ATOM 681 O VAL A 43 4.539 15.073 0.191 1.00 0.00 O ATOM 682 CB VAL A 43 1.723 15.020 -0.746 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.111 16.492 -0.867 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.155 14.276 -1.993 1.00 0.00 C ATOM 0 H VAL A 43 0.534 15.310 1.198 1.00 0.00 H new ATOM 0 HA VAL A 43 2.436 13.304 0.425 1.00 0.00 H new ATOM 0 HB VAL A 43 0.637 14.954 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.719 16.896 -1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.694 17.048 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.197 16.584 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.758 14.781 -2.874 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.244 14.256 -2.046 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.775 13.255 -1.958 1.00 0.00 H new ATOM 694 N GLY A 44 3.878 14.958 2.307 1.00 0.00 N ATOM 695 CA GLY A 44 5.165 15.286 2.906 1.00 0.00 C ATOM 696 C GLY A 44 5.349 14.697 4.303 1.00 0.00 C ATOM 697 O GLY A 44 6.323 15.046 4.976 1.00 0.00 O ATOM 0 H GLY A 44 3.141 14.831 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.963 14.922 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.267 16.370 2.960 1.00 0.00 H new ATOM 701 N ARG A 45 4.433 13.850 4.796 1.00 0.00 N ATOM 702 CA ARG A 45 4.549 13.355 6.171 1.00 0.00 C ATOM 703 C ARG A 45 5.567 12.219 6.236 1.00 0.00 C ATOM 704 O ARG A 45 5.587 11.385 5.332 1.00 0.00 O ATOM 705 CB ARG A 45 3.188 12.859 6.664 1.00 0.00 C ATOM 706 CG ARG A 45 3.105 13.020 8.191 1.00 0.00 C ATOM 707 CD ARG A 45 1.884 12.291 8.732 1.00 0.00 C ATOM 708 NE ARG A 45 1.675 12.495 10.180 1.00 0.00 N ATOM 709 CZ ARG A 45 1.014 13.513 10.751 1.00 0.00 C ATOM 710 NH1 ARG A 45 0.606 14.558 10.041 1.00 0.00 N ATOM 711 NH2 ARG A 45 0.757 13.509 12.052 1.00 0.00 N ATOM 0 H ARG A 45 3.626 13.503 4.278 1.00 0.00 H new ATOM 0 HA ARG A 45 4.886 14.171 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.388 13.423 6.184 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.049 11.813 6.390 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.009 12.625 8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.050 14.077 8.450 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.999 12.630 8.193 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.989 11.224 8.534 1.00 0.00 H new ATOM 0 HE ARG A 45 2.072 11.794 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.794 14.598 9.039 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.105 15.320 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.063 12.726 12.630 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.254 14.289 12.475 1.00 0.00 H new ATOM 725 N GLU A 46 6.375 12.135 7.292 1.00 0.00 N ATOM 726 CA GLU A 46 7.207 10.961 7.536 1.00 0.00 C ATOM 727 C GLU A 46 6.350 9.862 8.154 1.00 0.00 C ATOM 728 O GLU A 46 5.393 10.156 8.875 1.00 0.00 O ATOM 729 CB GLU A 46 8.374 11.332 8.452 1.00 0.00 C ATOM 730 CG GLU A 46 9.483 12.021 7.648 1.00 0.00 C ATOM 731 CD GLU A 46 10.691 12.354 8.515 1.00 0.00 C ATOM 732 OE1 GLU A 46 11.328 11.420 9.061 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.009 13.559 8.649 1.00 0.00 O ATOM 0 H GLU A 46 6.470 12.869 7.993 1.00 0.00 H new ATOM 0 HA GLU A 46 7.621 10.595 6.597 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.026 11.993 9.246 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.767 10.436 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.792 11.373 6.828 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.093 12.936 7.202 1.00 0.00 H new ATOM 740 N VAL A 47 6.687 8.599 7.889 1.00 0.00 N ATOM 741 CA VAL A 47 5.945 7.418 8.320 1.00 0.00 C ATOM 742 C VAL A 47 6.918 6.270 8.636 1.00 0.00 C ATOM 743 O VAL A 47 8.115 6.340 8.330 1.00 0.00 O ATOM 744 CB VAL A 47 4.887 7.030 7.254 1.00 0.00 C ATOM 745 CG1 VAL A 47 3.955 8.199 6.902 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.477 6.497 5.940 1.00 0.00 C ATOM 0 H VAL A 47 7.518 8.364 7.346 1.00 0.00 H new ATOM 0 HA VAL A 47 5.402 7.640 9.239 1.00 0.00 H new ATOM 0 HB VAL A 47 4.331 6.226 7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.233 7.876 6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.426 8.525 7.798 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.543 9.027 6.506 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.669 6.250 5.252 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.115 7.259 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.067 5.603 6.142 1.00 0.00 H new ATOM 756 N LYS A 48 6.407 5.181 9.219 1.00 0.00 N ATOM 757 CA LYS A 48 7.145 3.949 9.500 1.00 0.00 C ATOM 758 C LYS A 48 6.567 2.788 8.706 1.00 0.00 C ATOM 759 O LYS A 48 5.412 2.843 8.295 1.00 0.00 O ATOM 760 CB LYS A 48 7.067 3.606 10.996 1.00 0.00 C ATOM 761 CG LYS A 48 8.140 4.322 11.830 1.00 0.00 C ATOM 762 CD LYS A 48 8.770 3.365 12.855 1.00 0.00 C ATOM 763 CE LYS A 48 7.776 2.914 13.932 1.00 0.00 C ATOM 764 NZ LYS A 48 7.904 3.687 15.179 1.00 0.00 N ATOM 0 H LYS A 48 5.433 5.133 9.518 1.00 0.00 H new ATOM 0 HA LYS A 48 8.184 4.110 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.081 3.875 11.374 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.174 2.529 11.123 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.914 4.717 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.696 5.173 12.346 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.160 2.489 12.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.618 3.857 13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.760 3.014 13.549 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.933 1.857 14.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.210 3.343 15.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.864 3.572 15.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.728 4.693 14.983 1.00 0.00 H new ATOM 778 N LYS A 49 7.313 1.683 8.644 1.00 0.00 N ATOM 779 CA LYS A 49 6.937 0.395 8.053 1.00 0.00 C ATOM 780 C LYS A 49 5.782 -0.350 8.735 1.00 0.00 C ATOM 781 O LYS A 49 5.593 -1.555 8.535 1.00 0.00 O ATOM 782 CB LYS A 49 8.197 -0.461 7.985 1.00 0.00 C ATOM 783 CG LYS A 49 8.635 -1.132 9.294 1.00 0.00 C ATOM 784 CD LYS A 49 9.913 -1.880 8.952 1.00 0.00 C ATOM 785 CE LYS A 49 10.522 -2.623 10.132 1.00 0.00 C ATOM 786 NZ LYS A 49 11.705 -3.366 9.661 1.00 0.00 N ATOM 0 H LYS A 49 8.257 1.662 9.030 1.00 0.00 H new ATOM 0 HA LYS A 49 6.530 0.603 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.042 -1.239 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.016 0.164 7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.809 -0.393 10.076 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.868 -1.812 9.663 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.704 -2.593 8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.645 -1.172 8.563 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.804 -1.921 10.916 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.793 -3.308 10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.455 -3.316 10.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.448 -4.360 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.047 -2.947 8.773 1.00 0.00 H new ATOM 800 N GLY A 50 5.034 0.331 9.581 1.00 0.00 N ATOM 801 CA GLY A 50 3.831 -0.164 10.205 1.00 0.00 C ATOM 802 C GLY A 50 3.111 1.052 10.743 1.00 0.00 C ATOM 803 O GLY A 50 3.088 1.249 11.955 1.00 0.00 O ATOM 0 H GLY A 50 5.261 1.285 9.862 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.210 -0.699 9.486 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.067 -0.864 11.006 1.00 0.00 H new ATOM 807 N GLU A 51 2.626 1.914 9.855 1.00 0.00 N ATOM 808 CA GLU A 51 1.982 3.175 10.190 1.00 0.00 C ATOM 809 C GLU A 51 0.716 3.269 9.341 1.00 0.00 C ATOM 810 O GLU A 51 0.776 3.039 8.134 1.00 0.00 O ATOM 811 CB GLU A 51 2.982 4.316 9.936 1.00 0.00 C ATOM 812 CG GLU A 51 2.698 5.585 10.741 1.00 0.00 C ATOM 813 CD GLU A 51 3.111 5.431 12.210 1.00 0.00 C ATOM 814 OE1 GLU A 51 2.546 4.597 12.948 1.00 0.00 O ATOM 815 OE2 GLU A 51 4.033 6.146 12.666 1.00 0.00 O ATOM 0 H GLU A 51 2.673 1.747 8.850 1.00 0.00 H new ATOM 0 HA GLU A 51 1.691 3.245 11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.986 3.965 10.174 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.974 4.562 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.235 6.424 10.298 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.635 5.821 10.685 1.00 0.00 H new ATOM 822 N VAL A 52 -0.419 3.528 9.979 1.00 0.00 N ATOM 823 CA VAL A 52 -1.782 3.301 9.498 1.00 0.00 C ATOM 824 C VAL A 52 -2.271 4.522 8.708 1.00 0.00 C ATOM 825 O VAL A 52 -3.290 5.148 8.983 1.00 0.00 O ATOM 826 CB VAL A 52 -2.624 2.916 10.734 1.00 0.00 C ATOM 827 CG1 VAL A 52 -4.136 3.001 10.557 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.197 1.508 11.174 1.00 0.00 C ATOM 0 H VAL A 52 -0.413 3.932 10.916 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.861 2.483 8.782 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.419 3.662 11.502 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.628 2.709 11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.416 4.024 10.304 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.447 2.331 9.755 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.776 1.208 12.047 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.375 0.803 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.136 1.511 11.426 1.00 0.00 H new ATOM 838 N VAL A 53 -1.493 4.927 7.720 1.00 0.00 N ATOM 839 CA VAL A 53 -1.605 6.288 7.229 1.00 0.00 C ATOM 840 C VAL A 53 -2.677 6.465 6.150 1.00 0.00 C ATOM 841 O VAL A 53 -2.719 7.502 5.491 1.00 0.00 O ATOM 842 CB VAL A 53 -0.213 6.765 6.799 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.689 6.842 8.035 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.445 5.861 5.749 1.00 0.00 C ATOM 0 H VAL A 53 -0.794 4.350 7.252 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.961 6.927 8.037 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.339 7.743 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.682 7.181 7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.264 7.544 8.752 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.763 5.856 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.427 6.258 5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.555 4.855 6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.179 5.827 4.856 1.00 0.00 H new ATOM 854 N ALA A 54 -3.497 5.442 5.912 1.00 0.00 N ATOM 855 CA ALA A 54 -4.429 5.394 4.801 1.00 0.00 C ATOM 856 C ALA A 54 -5.529 4.361 5.076 1.00 0.00 C ATOM 857 O ALA A 54 -5.730 3.451 4.273 1.00 0.00 O ATOM 858 CB ALA A 54 -3.621 5.045 3.544 1.00 0.00 C ATOM 0 H ALA A 54 -3.528 4.610 6.501 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.928 6.353 4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.288 4.999 2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.863 5.810 3.375 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.137 4.078 3.680 1.00 0.00 H new ATOM 864 N SER A 55 -6.170 4.416 6.249 1.00 0.00 N ATOM 865 CA SER A 55 -7.226 3.466 6.594 1.00 0.00 C ATOM 866 C SER A 55 -8.338 3.505 5.544 1.00 0.00 C ATOM 867 O SER A 55 -8.626 4.544 4.964 1.00 0.00 O ATOM 868 CB SER A 55 -7.798 3.775 7.979 1.00 0.00 C ATOM 869 OG SER A 55 -8.163 2.594 8.685 1.00 0.00 O ATOM 0 H SER A 55 -5.974 5.108 6.972 1.00 0.00 H new ATOM 0 HA SER A 55 -6.795 2.465 6.614 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.061 4.330 8.559 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.672 4.418 7.874 1.00 0.00 H new ATOM 0 HG SER A 55 -7.478 2.388 9.355 1.00 0.00 H new ATOM 875 N ILE A 56 -8.990 2.375 5.324 1.00 0.00 N ATOM 876 CA ILE A 56 -10.049 2.190 4.333 1.00 0.00 C ATOM 877 C ILE A 56 -11.292 1.821 5.124 1.00 0.00 C ATOM 878 O ILE A 56 -11.190 0.962 6.002 1.00 0.00 O ATOM 879 CB ILE A 56 -9.679 1.076 3.323 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.281 1.270 2.716 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.766 0.958 2.236 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.850 0.168 1.748 1.00 0.00 C ATOM 0 H ILE A 56 -8.791 1.524 5.850 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.205 3.093 3.743 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.637 0.135 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -8.256 2.226 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.553 1.330 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.493 0.171 1.533 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.721 0.714 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.853 1.906 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.852 0.387 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.838 -0.790 2.269 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.552 0.120 0.916 1.00 0.00 H new ATOM 894 N GLU A 57 -12.451 2.400 4.806 1.00 0.00 N ATOM 895 CA GLU A 57 -13.739 2.026 5.344 1.00 0.00 C ATOM 896 C GLU A 57 -14.592 1.508 4.198 1.00 0.00 C ATOM 897 O GLU A 57 -14.870 2.270 3.276 1.00 0.00 O ATOM 898 CB GLU A 57 -14.437 3.227 6.002 1.00 0.00 C ATOM 899 CG GLU A 57 -15.113 2.726 7.271 1.00 0.00 C ATOM 900 CD GLU A 57 -16.262 3.590 7.799 1.00 0.00 C ATOM 901 OE1 GLU A 57 -17.175 3.944 7.018 1.00 0.00 O ATOM 902 OE2 GLU A 57 -16.292 3.832 9.033 1.00 0.00 O ATOM 0 H GLU A 57 -12.509 3.171 4.140 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.603 1.261 6.108 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.715 4.009 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.170 3.663 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -15.494 1.722 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.358 2.641 8.053 1.00 0.00 H new ATOM 909 N SER A 58 -15.002 0.240 4.226 1.00 0.00 N ATOM 910 CA SER A 58 -15.919 -0.306 3.230 1.00 0.00 C ATOM 911 C SER A 58 -17.348 -0.338 3.772 1.00 0.00 C ATOM 912 O SER A 58 -17.647 0.306 4.782 1.00 0.00 O ATOM 913 CB SER A 58 -15.404 -1.644 2.708 1.00 0.00 C ATOM 914 OG SER A 58 -15.436 -2.631 3.704 1.00 0.00 O ATOM 0 H SER A 58 -14.709 -0.432 4.935 1.00 0.00 H new ATOM 0 HA SER A 58 -15.958 0.350 2.360 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.010 -1.962 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.383 -1.525 2.344 1.00 0.00 H new ATOM 0 HG SER A 58 -15.796 -3.462 3.329 1.00 0.00 H new ATOM 920 N VAL A 59 -18.237 -1.070 3.095 1.00 0.00 N ATOM 921 CA VAL A 59 -19.643 -1.215 3.454 1.00 0.00 C ATOM 922 C VAL A 59 -19.873 -1.514 4.942 1.00 0.00 C ATOM 923 O VAL A 59 -20.814 -0.935 5.491 1.00 0.00 O ATOM 924 CB VAL A 59 -20.334 -2.237 2.528 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.676 -1.576 1.190 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.516 -3.519 2.291 1.00 0.00 C ATOM 0 H VAL A 59 -17.986 -1.593 2.256 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.112 -0.244 3.297 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.243 -2.551 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.164 -2.302 0.540 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.347 -0.734 1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.761 -1.221 0.715 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.069 -4.187 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.562 -3.262 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.337 -4.018 3.244 1.00 0.00 H new ATOM 936 N LYS A 60 -19.046 -2.340 5.607 1.00 0.00 N ATOM 937 CA LYS A 60 -18.860 -2.265 7.061 1.00 0.00 C ATOM 938 C LYS A 60 -17.587 -3.001 7.506 1.00 0.00 C ATOM 939 O LYS A 60 -17.624 -3.857 8.399 1.00 0.00 O ATOM 940 CB LYS A 60 -20.128 -2.676 7.863 1.00 0.00 C ATOM 941 CG LYS A 60 -20.479 -1.627 8.933 1.00 0.00 C ATOM 942 CD LYS A 60 -19.402 -1.495 10.022 1.00 0.00 C ATOM 943 CE LYS A 60 -19.418 -0.119 10.691 1.00 0.00 C ATOM 944 NZ LYS A 60 -20.339 -0.019 11.833 1.00 0.00 N ATOM 0 H LYS A 60 -18.495 -3.070 5.155 1.00 0.00 H new ATOM 0 HA LYS A 60 -18.710 -1.214 7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -20.969 -2.797 7.180 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -19.962 -3.642 8.339 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.622 -0.659 8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.428 -1.895 9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -19.556 -2.266 10.777 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -18.420 -1.671 9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.410 0.121 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -19.693 0.631 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.294 0.940 12.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -21.309 -0.216 11.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -20.066 -0.710 12.561 1.00 0.00 H new ATOM 958 N ALA A 61 -16.436 -2.631 6.942 1.00 0.00 N ATOM 959 CA ALA A 61 -15.137 -3.019 7.479 1.00 0.00 C ATOM 960 C ALA A 61 -14.264 -1.790 7.663 1.00 0.00 C ATOM 961 O ALA A 61 -14.552 -0.734 7.102 1.00 0.00 O ATOM 962 CB ALA A 61 -14.443 -4.028 6.555 1.00 0.00 C ATOM 0 H ALA A 61 -16.381 -2.055 6.102 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.292 -3.495 8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.476 -4.302 6.977 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.063 -4.919 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.296 -3.580 5.572 1.00 0.00 H new ATOM 968 N ALA A 62 -13.153 -1.970 8.377 1.00 0.00 N ATOM 969 CA ALA A 62 -11.962 -1.162 8.189 1.00 0.00 C ATOM 970 C ALA A 62 -10.804 -2.071 7.796 1.00 0.00 C ATOM 971 O ALA A 62 -10.755 -3.229 8.238 1.00 0.00 O ATOM 972 CB ALA A 62 -11.599 -0.361 9.440 1.00 0.00 C ATOM 0 H ALA A 62 -13.060 -2.682 9.101 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.165 -0.440 7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.701 0.227 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.422 0.306 9.696 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.415 -1.044 10.269 1.00 0.00 H new ATOM 978 N ALA A 63 -9.852 -1.525 7.043 1.00 0.00 N ATOM 979 CA ALA A 63 -8.501 -2.034 6.873 1.00 0.00 C ATOM 980 C ALA A 63 -7.567 -0.860 7.083 1.00 0.00 C ATOM 981 O ALA A 63 -7.572 0.085 6.299 1.00 0.00 O ATOM 982 CB ALA A 63 -8.275 -2.659 5.497 1.00 0.00 C ATOM 0 H ALA A 63 -10.015 -0.671 6.509 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.317 -2.832 7.592 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.250 -3.022 5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.965 -3.491 5.358 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.449 -1.910 4.724 1.00 0.00 H new ATOM 988 N ASP A 64 -6.799 -0.922 8.161 1.00 0.00 N ATOM 989 CA ASP A 64 -5.711 -0.001 8.417 1.00 0.00 C ATOM 990 C ASP A 64 -4.620 -0.344 7.412 1.00 0.00 C ATOM 991 O ASP A 64 -4.033 -1.424 7.502 1.00 0.00 O ATOM 992 CB ASP A 64 -5.212 -0.177 9.859 1.00 0.00 C ATOM 993 CG ASP A 64 -6.208 0.299 10.920 1.00 0.00 C ATOM 994 OD1 ASP A 64 -6.838 1.364 10.727 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.371 -0.393 11.955 1.00 0.00 O ATOM 0 H ASP A 64 -6.919 -1.625 8.890 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.020 1.039 8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.989 -1.230 10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.277 0.371 9.980 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.395 0.496 6.402 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.325 0.257 5.444 1.00 0.00 C ATOM 1002 C VAL A 65 -2.018 0.628 6.139 1.00 0.00 C ATOM 1003 O VAL A 65 -1.777 1.809 6.412 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.511 1.062 4.157 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.381 0.768 3.157 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.841 0.689 3.511 1.00 0.00 C ATOM 0 H VAL A 65 -4.938 1.342 6.230 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.325 -0.790 5.139 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.494 2.121 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.536 1.353 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.423 1.036 3.602 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.382 -0.293 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.974 1.263 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.846 -0.376 3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.656 0.913 4.200 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.175 -0.354 6.439 1.00 0.00 N ATOM 1017 CA TYR A 66 0.103 -0.102 7.067 1.00 0.00 C ATOM 1018 C TYR A 66 1.137 0.207 5.989 1.00 0.00 C ATOM 1019 O TYR A 66 1.489 -0.663 5.190 1.00 0.00 O ATOM 1020 CB TYR A 66 0.541 -1.304 7.917 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.376 -1.647 9.077 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -1.470 -2.495 8.848 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -0.176 -1.107 10.362 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -2.405 -2.754 9.864 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -1.073 -1.421 11.404 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.216 -2.211 11.152 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.085 -2.486 12.162 1.00 0.00 O ATOM 0 H TYR A 66 -1.363 -1.339 6.252 1.00 0.00 H new ATOM 0 HA TYR A 66 0.013 0.755 7.735 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.621 -2.176 7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.538 -1.106 8.310 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.595 -2.954 7.879 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.663 -0.453 10.549 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.269 -3.369 9.659 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.884 -1.054 12.402 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.795 -2.026 12.977 1.00 0.00 H new ATOM 1037 N ALA A 67 1.679 1.428 6.008 1.00 0.00 N ATOM 1038 CA ALA A 67 2.823 1.827 5.198 1.00 0.00 C ATOM 1039 C ALA A 67 3.918 0.744 5.259 1.00 0.00 C ATOM 1040 O ALA A 67 4.187 0.201 6.337 1.00 0.00 O ATOM 1041 CB ALA A 67 3.350 3.184 5.670 1.00 0.00 C ATOM 0 H ALA A 67 1.324 2.179 6.600 1.00 0.00 H new ATOM 0 HA ALA A 67 2.513 1.930 4.158 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.205 3.475 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.564 3.933 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.657 3.112 6.713 1.00 0.00 H new ATOM 1047 N PRO A 68 4.520 0.374 4.116 1.00 0.00 N ATOM 1048 CA PRO A 68 5.259 -0.873 4.000 1.00 0.00 C ATOM 1049 C PRO A 68 6.700 -0.786 4.501 1.00 0.00 C ATOM 1050 O PRO A 68 7.224 -1.784 4.996 1.00 0.00 O ATOM 1051 CB PRO A 68 5.218 -1.186 2.505 1.00 0.00 C ATOM 1052 CG PRO A 68 5.220 0.185 1.843 1.00 0.00 C ATOM 1053 CD PRO A 68 4.320 0.961 2.800 1.00 0.00 C ATOM 0 HA PRO A 68 4.813 -1.648 4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.079 -1.779 2.197 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.327 -1.756 2.241 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.221 0.612 1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.819 0.156 0.830 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.578 2.020 2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.276 0.888 2.497 1.00 0.00 H new ATOM 1061 N LEU A 69 7.334 0.378 4.355 1.00 0.00 N ATOM 1062 CA LEU A 69 8.710 0.693 4.722 1.00 0.00 C ATOM 1063 C LEU A 69 8.654 1.988 5.540 1.00 0.00 C ATOM 1064 O LEU A 69 7.635 2.680 5.530 1.00 0.00 O ATOM 1065 CB LEU A 69 9.575 0.914 3.460 1.00 0.00 C ATOM 1066 CG LEU A 69 10.038 -0.271 2.589 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.741 -1.401 3.357 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.913 -0.830 1.723 1.00 0.00 C ATOM 0 H LEU A 69 6.861 1.184 3.946 1.00 0.00 H new ATOM 0 HA LEU A 69 9.155 -0.125 5.288 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.020 1.589 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.473 1.444 3.779 1.00 0.00 H new ATOM 0 HG LEU A 69 10.797 0.165 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.030 -2.189 2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.630 -1.008 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.062 -1.809 4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.290 -1.662 1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.101 -1.179 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.543 -0.049 1.059 1.00 0.00 H new ATOM 1080 N SER A 70 9.734 2.352 6.223 1.00 0.00 N ATOM 1081 CA SER A 70 9.895 3.667 6.829 1.00 0.00 C ATOM 1082 C SER A 70 10.357 4.642 5.741 1.00 0.00 C ATOM 1083 O SER A 70 11.211 4.303 4.921 1.00 0.00 O ATOM 1084 CB SER A 70 10.880 3.547 7.994 1.00 0.00 C ATOM 1085 OG SER A 70 10.365 2.637 8.960 1.00 0.00 O ATOM 0 H SER A 70 10.531 1.734 6.373 1.00 0.00 H new ATOM 0 HA SER A 70 8.961 4.053 7.237 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.848 3.200 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.042 4.524 8.449 1.00 0.00 H new ATOM 0 HG SER A 70 10.997 2.559 9.705 1.00 0.00 H new ATOM 1091 N GLY A 71 9.768 5.834 5.658 1.00 0.00 N ATOM 1092 CA GLY A 71 9.904 6.724 4.505 1.00 0.00 C ATOM 1093 C GLY A 71 9.048 7.972 4.671 1.00 0.00 C ATOM 1094 O GLY A 71 8.461 8.176 5.734 1.00 0.00 O ATOM 0 H GLY A 71 9.176 6.213 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.949 7.010 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.610 6.196 3.598 1.00 0.00 H new ATOM 1098 N LYS A 72 8.939 8.801 3.630 1.00 0.00 N ATOM 1099 CA LYS A 72 8.111 10.013 3.642 1.00 0.00 C ATOM 1100 C LYS A 72 7.089 9.940 2.535 1.00 0.00 C ATOM 1101 O LYS A 72 7.481 9.622 1.420 1.00 0.00 O ATOM 1102 CB LYS A 72 8.987 11.258 3.447 1.00 0.00 C ATOM 1103 CG LYS A 72 8.337 12.477 4.118 1.00 0.00 C ATOM 1104 CD LYS A 72 9.209 13.730 4.097 1.00 0.00 C ATOM 1105 CE LYS A 72 9.126 14.414 2.732 1.00 0.00 C ATOM 1106 NZ LYS A 72 10.138 15.478 2.595 1.00 0.00 N ATOM 0 H LYS A 72 9.426 8.650 2.747 1.00 0.00 H new ATOM 0 HA LYS A 72 7.604 10.083 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.976 11.085 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.126 11.451 2.383 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.393 12.694 3.619 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.101 12.228 5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.885 14.419 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.243 13.465 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.267 13.674 1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.131 14.838 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.052 15.920 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.988 16.197 3.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.088 15.069 2.699 1.00 0.00 H new ATOM 1120 N ILE A 73 5.816 10.227 2.786 1.00 0.00 N ATOM 1121 CA ILE A 73 4.828 10.320 1.713 1.00 0.00 C ATOM 1122 C ILE A 73 5.274 11.442 0.770 1.00 0.00 C ATOM 1123 O ILE A 73 5.738 12.472 1.255 1.00 0.00 O ATOM 1124 CB ILE A 73 3.441 10.626 2.296 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.043 9.740 3.496 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.347 10.573 1.210 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.199 8.232 3.285 1.00 0.00 C ATOM 0 H ILE A 73 5.443 10.399 3.720 1.00 0.00 H new ATOM 0 HA ILE A 73 4.759 9.377 1.171 1.00 0.00 H new ATOM 0 HB ILE A 73 3.521 11.642 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.645 10.033 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.003 9.948 3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.378 10.794 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.566 11.309 0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.322 9.578 0.767 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.892 7.705 4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.574 7.915 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.242 8.001 3.066 1.00 0.00 H new ATOM 1139 N VAL A 74 5.126 11.254 -0.547 1.00 0.00 N ATOM 1140 CA VAL A 74 5.416 12.285 -1.545 1.00 0.00 C ATOM 1141 C VAL A 74 4.498 12.198 -2.776 1.00 0.00 C ATOM 1142 O VAL A 74 4.642 13.024 -3.677 1.00 0.00 O ATOM 1143 CB VAL A 74 6.905 12.239 -1.980 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.919 12.511 -0.859 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.270 10.916 -2.677 1.00 0.00 C ATOM 0 H VAL A 74 4.799 10.376 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 74 5.217 13.242 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 74 6.984 13.066 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.930 12.457 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.746 13.504 -0.445 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.801 11.765 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.322 10.933 -2.962 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.092 10.084 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.655 10.792 -3.568 1.00 0.00 H new ATOM 1155 N GLU A 75 3.538 11.265 -2.849 1.00 0.00 N ATOM 1156 CA GLU A 75 2.426 11.391 -3.793 1.00 0.00 C ATOM 1157 C GLU A 75 1.179 10.733 -3.189 1.00 0.00 C ATOM 1158 O GLU A 75 1.304 9.906 -2.284 1.00 0.00 O ATOM 1159 CB GLU A 75 2.803 10.780 -5.146 1.00 0.00 C ATOM 1160 CG GLU A 75 2.200 11.578 -6.303 1.00 0.00 C ATOM 1161 CD GLU A 75 2.578 10.969 -7.654 1.00 0.00 C ATOM 1162 OE1 GLU A 75 3.695 11.225 -8.156 1.00 0.00 O ATOM 1163 OE2 GLU A 75 1.775 10.190 -8.211 1.00 0.00 O ATOM 0 H GLU A 75 3.511 10.425 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 75 2.204 12.443 -3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.888 10.754 -5.246 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.454 9.749 -5.192 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.115 11.603 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.548 12.610 -6.256 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.015 11.065 -3.683 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.303 10.560 -3.200 1.00 0.00 C ATOM 1172 C VAL A 76 -2.245 10.406 -4.401 1.00 0.00 C ATOM 1173 O VAL A 76 -2.076 11.094 -5.415 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.901 11.500 -2.122 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -1.025 11.598 -0.862 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.132 12.906 -2.687 1.00 0.00 C ATOM 0 H VAL A 76 -0.116 11.718 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.165 9.589 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.854 11.056 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.495 12.270 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.916 10.609 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.042 11.985 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.552 13.546 -1.911 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.183 13.322 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.825 12.851 -3.526 1.00 0.00 H new ATOM 1186 N ASN A 77 -3.240 9.531 -4.280 1.00 0.00 N ATOM 1187 CA ASN A 77 -4.242 9.228 -5.287 1.00 0.00 C ATOM 1188 C ASN A 77 -5.529 9.844 -4.776 1.00 0.00 C ATOM 1189 O ASN A 77 -6.422 9.129 -4.328 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.368 7.703 -5.497 1.00 0.00 C ATOM 1191 CG ASN A 77 -5.294 7.309 -6.651 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -5.408 8.016 -7.651 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.941 6.155 -6.564 1.00 0.00 N ATOM 0 H ASN A 77 -3.372 8.986 -3.428 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.979 9.634 -6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.377 7.289 -5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.737 7.249 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -6.539 5.847 -7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.840 5.575 -5.731 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.618 11.178 -4.787 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.781 11.912 -4.291 1.00 0.00 C ATOM 1202 C GLU A 78 -8.067 11.542 -5.034 1.00 0.00 C ATOM 1203 O GLU A 78 -9.176 11.762 -4.548 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.480 13.422 -4.293 1.00 0.00 C ATOM 1205 CG GLU A 78 -6.157 13.983 -5.685 1.00 0.00 C ATOM 1206 CD GLU A 78 -6.047 15.514 -5.714 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -5.240 16.103 -4.961 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -6.704 16.157 -6.570 1.00 0.00 O ATOM 0 H GLU A 78 -4.877 11.781 -5.144 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.969 11.616 -3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.339 13.956 -3.886 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.639 13.617 -3.628 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.219 13.552 -6.034 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.932 13.668 -6.384 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.925 10.886 -6.181 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.982 10.208 -6.882 1.00 0.00 C ATOM 1217 C LYS A 79 -9.730 9.217 -6.011 1.00 0.00 C ATOM 1218 O LYS A 79 -10.915 9.054 -6.254 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.406 9.488 -8.102 1.00 0.00 C ATOM 1220 CG LYS A 79 -8.807 10.220 -9.374 1.00 0.00 C ATOM 1221 CD LYS A 79 -8.746 9.268 -10.561 1.00 0.00 C ATOM 1222 CE LYS A 79 -7.305 9.003 -10.991 1.00 0.00 C ATOM 1223 NZ LYS A 79 -7.245 7.785 -11.811 1.00 0.00 N ATOM 0 H LYS A 79 -7.027 10.816 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.701 10.967 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.320 9.440 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.769 8.461 -8.134 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.815 10.622 -9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.142 11.067 -9.542 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.228 8.326 -10.299 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.305 9.690 -11.396 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.923 9.852 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.668 8.893 -10.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -6.262 7.610 -12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -7.592 6.976 -11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.839 7.906 -12.656 1.00 0.00 H new ATOM 1237 N LEU A 80 -9.123 8.588 -5.001 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.852 7.730 -4.086 1.00 0.00 C ATOM 1239 C LEU A 80 -11.027 8.450 -3.376 1.00 0.00 C ATOM 1240 O LEU A 80 -11.893 7.759 -2.844 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.867 7.147 -3.072 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.873 6.049 -3.530 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -6.923 5.848 -2.386 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -8.552 4.739 -3.925 1.00 0.00 C ATOM 0 H LEU A 80 -8.125 8.662 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.312 6.931 -4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.281 7.974 -2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.449 6.739 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.360 6.370 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.194 5.082 -2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.406 6.784 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.479 5.532 -1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.797 4.017 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.104 4.344 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.240 4.920 -4.750 1.00 0.00 H new ATOM 1256 N ASP A 81 -11.130 9.792 -3.385 1.00 0.00 N ATOM 1257 CA ASP A 81 -12.322 10.532 -2.919 1.00 0.00 C ATOM 1258 C ASP A 81 -13.564 10.276 -3.790 1.00 0.00 C ATOM 1259 O ASP A 81 -14.699 10.419 -3.326 1.00 0.00 O ATOM 1260 CB ASP A 81 -12.051 12.046 -2.918 1.00 0.00 C ATOM 1261 CG ASP A 81 -13.297 12.835 -2.476 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -13.711 12.708 -1.298 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -13.851 13.644 -3.260 1.00 0.00 O ATOM 0 H ASP A 81 -10.382 10.400 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.522 10.169 -1.911 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.220 12.269 -2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.751 12.365 -3.916 1.00 0.00 H new ATOM 1268 N THR A 82 -13.366 9.907 -5.055 1.00 0.00 N ATOM 1269 CA THR A 82 -14.411 9.792 -6.070 1.00 0.00 C ATOM 1270 C THR A 82 -14.422 8.389 -6.685 1.00 0.00 C ATOM 1271 O THR A 82 -15.483 7.852 -6.998 1.00 0.00 O ATOM 1272 CB THR A 82 -14.222 10.917 -7.103 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.935 10.903 -7.684 1.00 0.00 O ATOM 1274 CG2 THR A 82 -14.358 12.288 -6.446 1.00 0.00 C ATOM 0 H THR A 82 -12.440 9.672 -5.413 1.00 0.00 H new ATOM 0 HA THR A 82 -15.396 9.918 -5.621 1.00 0.00 H new ATOM 0 HB THR A 82 -14.988 10.745 -7.859 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.402 10.186 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.220 13.066 -7.197 1.00 0.00 H new ATOM 0 HG22 THR A 82 -15.349 12.382 -6.003 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.601 12.396 -5.669 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.272 7.719 -6.684 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.038 6.341 -7.082 1.00 0.00 C ATOM 1284 C GLU A 83 -12.439 5.544 -5.906 1.00 0.00 C ATOM 1285 O GLU A 83 -11.285 5.111 -5.977 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.089 6.389 -8.291 1.00 0.00 C ATOM 1287 CG GLU A 83 -12.820 6.632 -9.608 1.00 0.00 C ATOM 1288 CD GLU A 83 -11.900 7.213 -10.680 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -11.274 6.425 -11.424 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -11.871 8.452 -10.850 1.00 0.00 O ATOM 0 H GLU A 83 -12.409 8.169 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.963 5.834 -7.356 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.353 7.179 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.540 5.449 -8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.244 5.693 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.653 7.314 -9.439 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.174 5.367 -4.794 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.732 4.591 -3.652 1.00 0.00 C ATOM 1299 C PRO A 84 -12.789 3.104 -3.983 1.00 0.00 C ATOM 1300 O PRO A 84 -11.790 2.412 -3.786 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.670 4.955 -2.500 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.949 5.447 -3.182 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.495 5.906 -4.565 1.00 0.00 C ATOM 0 HA PRO A 84 -11.699 4.809 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.867 4.093 -1.862 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -13.237 5.728 -1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.692 4.652 -3.252 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -15.407 6.263 -2.624 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.188 5.558 -5.330 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.479 6.994 -4.621 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.937 2.611 -4.471 1.00 0.00 N ATOM 1312 CA GLU A 85 -14.190 1.217 -4.845 1.00 0.00 C ATOM 1313 C GLU A 85 -13.122 0.722 -5.837 1.00 0.00 C ATOM 1314 O GLU A 85 -12.967 -0.485 -5.950 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.612 1.112 -5.447 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.956 -0.112 -6.331 1.00 0.00 C ATOM 1317 CD GLU A 85 -15.612 0.028 -7.832 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -14.959 1.020 -8.229 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -16.069 -0.835 -8.627 1.00 0.00 O ATOM 0 H GLU A 85 -14.752 3.205 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.131 0.580 -3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.323 1.134 -4.621 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.786 2.009 -6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.431 -0.982 -5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.023 -0.315 -6.239 1.00 0.00 H new ATOM 1326 N LEU A 86 -12.346 1.583 -6.521 1.00 0.00 N ATOM 1327 CA LEU A 86 -11.303 1.206 -7.458 1.00 0.00 C ATOM 1328 C LEU A 86 -10.313 0.222 -6.830 1.00 0.00 C ATOM 1329 O LEU A 86 -9.767 -0.640 -7.519 1.00 0.00 O ATOM 1330 CB LEU A 86 -10.548 2.471 -7.927 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.113 2.516 -9.401 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.579 1.161 -9.851 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -11.201 2.912 -10.388 1.00 0.00 C ATOM 0 H LEU A 86 -12.442 2.594 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.774 0.714 -8.309 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -11.183 3.336 -7.734 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -9.658 2.584 -7.307 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.348 3.293 -9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.278 1.218 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.719 0.888 -9.240 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -10.358 0.407 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.792 2.914 -11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.022 2.198 -10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.569 3.909 -10.144 1.00 0.00 H new ATOM 1345 N ILE A 87 -10.103 0.309 -5.514 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.249 -0.629 -4.802 1.00 0.00 C ATOM 1347 C ILE A 87 -9.776 -2.070 -4.986 1.00 0.00 C ATOM 1348 O ILE A 87 -8.992 -3.008 -4.968 1.00 0.00 O ATOM 1349 CB ILE A 87 -9.076 -0.188 -3.327 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.610 1.287 -3.225 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.037 -1.082 -2.641 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -8.297 1.773 -1.804 1.00 0.00 C ATOM 0 H ILE A 87 -10.519 1.027 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.244 -0.625 -5.225 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.045 -0.281 -2.837 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.719 1.414 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.384 1.927 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.917 -0.770 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.372 -2.119 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.082 -0.994 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.980 2.815 -1.838 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.190 1.685 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.499 1.164 -1.379 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.068 -2.298 -5.245 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.573 -3.613 -5.662 1.00 0.00 C ATOM 1366 C ASN A 88 -11.007 -4.004 -7.019 1.00 0.00 C ATOM 1367 O ASN A 88 -10.533 -5.123 -7.223 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.092 -3.597 -5.852 1.00 0.00 C ATOM 1369 CG ASN A 88 -13.880 -3.642 -4.546 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.816 -4.422 -4.394 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.498 -2.875 -3.543 1.00 0.00 N ATOM 0 H ASN A 88 -11.790 -1.582 -5.172 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.277 -4.309 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.370 -2.698 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.380 -4.449 -6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.980 -2.931 -2.646 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.721 -2.226 -3.665 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.194 -3.093 -7.971 1.00 0.00 N ATOM 1379 CA LYS A 89 -11.057 -3.307 -9.397 1.00 0.00 C ATOM 1380 C LYS A 89 -9.613 -3.626 -9.747 1.00 0.00 C ATOM 1381 O LYS A 89 -9.355 -4.578 -10.493 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.550 -2.060 -10.126 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.908 -2.299 -10.782 1.00 0.00 C ATOM 1384 CD LYS A 89 -12.855 -3.270 -11.975 1.00 0.00 C ATOM 1385 CE LYS A 89 -13.482 -2.667 -13.237 1.00 0.00 C ATOM 1386 NZ LYS A 89 -13.488 -3.638 -14.350 1.00 0.00 N ATOM 0 H LYS A 89 -11.460 -2.134 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.659 -4.160 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.625 -1.231 -9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.824 -1.769 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.598 -2.692 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.312 -1.344 -11.119 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.818 -3.538 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.377 -4.191 -11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.503 -2.350 -13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.927 -1.776 -13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.918 -3.201 -15.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.512 -3.921 -14.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.038 -4.477 -14.076 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.693 -2.804 -9.247 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.268 -3.010 -9.428 1.00 0.00 C ATOM 1402 C ASP A 90 -6.502 -2.474 -8.222 1.00 0.00 C ATOM 1403 O ASP A 90 -5.932 -1.381 -8.299 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.772 -2.339 -10.709 1.00 0.00 C ATOM 1405 CG ASP A 90 -5.354 -2.815 -11.054 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -4.732 -3.604 -10.303 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -4.863 -2.425 -12.137 1.00 0.00 O ATOM 0 H ASP A 90 -8.922 -1.973 -8.702 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.089 -4.082 -9.517 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.449 -2.569 -11.532 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.778 -1.256 -10.584 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.443 -3.219 -7.108 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.783 -2.741 -5.897 1.00 0.00 C ATOM 1414 C PRO A 91 -4.285 -2.516 -6.099 1.00 0.00 C ATOM 1415 O PRO A 91 -3.659 -1.846 -5.277 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.994 -3.848 -4.855 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.277 -5.092 -5.687 1.00 0.00 C ATOM 1418 CD PRO A 91 -6.989 -4.555 -6.918 1.00 0.00 C ATOM 0 HA PRO A 91 -6.199 -1.780 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.112 -3.979 -4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.825 -3.616 -4.189 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.357 -5.612 -5.953 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.900 -5.803 -5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.805 -5.185 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.068 -4.524 -6.769 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.692 -3.086 -7.157 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.266 -3.002 -7.411 1.00 0.00 C ATOM 1428 C GLU A 92 -1.942 -2.222 -8.681 1.00 0.00 C ATOM 1429 O GLU A 92 -0.801 -2.265 -9.141 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.552 -4.356 -7.316 1.00 0.00 C ATOM 1431 CG GLU A 92 -1.908 -5.218 -6.084 1.00 0.00 C ATOM 1432 CD GLU A 92 -2.674 -6.501 -6.400 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -3.451 -6.540 -7.379 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -2.465 -7.509 -5.678 1.00 0.00 O ATOM 0 H GLU A 92 -4.202 -3.621 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.848 -2.413 -6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.779 -4.929 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.476 -4.179 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.987 -5.480 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.503 -4.616 -5.397 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.892 -1.477 -9.243 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.655 -0.641 -10.406 1.00 0.00 C ATOM 1443 C GLY A 93 -3.317 0.703 -10.206 1.00 0.00 C ATOM 1444 O GLY A 93 -2.682 1.614 -9.671 1.00 0.00 O ATOM 0 H GLY A 93 -3.851 -1.440 -8.898 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.584 -0.511 -10.561 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.050 -1.123 -11.300 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.575 0.821 -10.627 1.00 0.00 N ATOM 1449 CA GLU A 94 -5.300 2.090 -10.619 1.00 0.00 C ATOM 1450 C GLU A 94 -5.859 2.418 -9.236 1.00 0.00 C ATOM 1451 O GLU A 94 -5.862 3.585 -8.846 1.00 0.00 O ATOM 1452 CB GLU A 94 -6.369 2.106 -11.713 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.727 1.849 -13.094 1.00 0.00 C ATOM 1454 CD GLU A 94 -6.308 2.710 -14.214 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -7.513 3.049 -14.186 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -5.581 3.028 -15.181 1.00 0.00 O ATOM 0 H GLU A 94 -5.121 0.037 -10.984 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.594 2.888 -10.848 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.121 1.345 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.881 3.068 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.655 2.033 -13.026 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.854 0.798 -13.353 1.00 0.00 H new ATOM 1463 N GLY A 95 -6.234 1.404 -8.455 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.633 1.547 -7.058 1.00 0.00 C ATOM 1465 C GLY A 95 -5.432 1.629 -6.104 1.00 0.00 C ATOM 1466 O GLY A 95 -5.501 1.088 -5.001 1.00 0.00 O ATOM 0 H GLY A 95 -6.269 0.440 -8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.241 2.445 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.260 0.701 -6.775 1.00 0.00 H new ATOM 1470 N TRP A 96 -4.327 2.276 -6.503 1.00 0.00 N ATOM 1471 CA TRP A 96 -3.261 2.657 -5.571 1.00 0.00 C ATOM 1472 C TRP A 96 -3.790 3.716 -4.595 1.00 0.00 C ATOM 1473 O TRP A 96 -4.871 4.273 -4.802 1.00 0.00 O ATOM 1474 CB TRP A 96 -2.009 3.156 -6.324 1.00 0.00 C ATOM 1475 CG TRP A 96 -2.115 4.437 -7.111 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.745 4.564 -8.303 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.575 5.771 -6.813 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.646 5.856 -8.760 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.955 6.648 -7.876 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.841 6.355 -5.749 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.613 8.003 -7.897 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.527 7.735 -5.742 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.878 8.543 -6.835 1.00 0.00 C ATOM 0 H TRP A 96 -4.150 2.546 -7.470 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.957 1.778 -5.003 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -1.208 3.279 -5.594 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.697 2.369 -7.010 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -3.253 3.764 -8.821 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -3.036 6.185 -9.643 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.515 5.734 -4.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.913 8.628 -8.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -0.016 8.167 -4.894 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.581 9.581 -6.857 1.00 0.00 H new ATOM 1494 N LEU A 97 -3.030 4.025 -3.538 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.411 5.084 -2.601 1.00 0.00 C ATOM 1496 C LEU A 97 -2.326 6.155 -2.589 1.00 0.00 C ATOM 1497 O LEU A 97 -2.614 7.306 -2.876 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.622 4.577 -1.162 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.380 3.250 -0.954 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.484 2.319 -0.128 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.632 3.388 -0.091 1.00 0.00 C ATOM 0 H LEU A 97 -2.152 3.558 -3.312 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.365 5.484 -2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.640 4.474 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.154 5.353 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.643 2.896 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.996 1.371 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.552 2.141 -0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.266 2.783 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.112 2.415 0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.355 3.761 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -6.324 4.086 -0.562 1.00 0.00 H new ATOM 1513 N PHE A 98 -1.078 5.831 -2.238 1.00 0.00 N ATOM 1514 CA PHE A 98 -0.052 6.852 -2.036 1.00 0.00 C ATOM 1515 C PHE A 98 1.311 6.354 -2.493 1.00 0.00 C ATOM 1516 O PHE A 98 1.493 5.167 -2.774 1.00 0.00 O ATOM 1517 CB PHE A 98 -0.064 7.335 -0.572 1.00 0.00 C ATOM 1518 CG PHE A 98 0.210 6.274 0.478 1.00 0.00 C ATOM 1519 CD1 PHE A 98 1.527 6.020 0.898 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.850 5.554 1.061 1.00 0.00 C ATOM 1521 CE1 PHE A 98 1.770 5.062 1.897 1.00 0.00 C ATOM 1522 CE2 PHE A 98 -0.589 4.539 1.998 1.00 0.00 C ATOM 1523 CZ PHE A 98 0.722 4.301 2.429 1.00 0.00 C ATOM 0 H PHE A 98 -0.757 4.874 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.278 7.719 -2.657 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.679 8.126 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -1.037 7.781 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.350 6.560 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.869 5.783 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.776 4.911 2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.401 3.942 2.386 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.923 3.537 3.165 1.00 0.00 H new ATOM 1533 N LYS A 99 2.268 7.277 -2.581 1.00 0.00 N ATOM 1534 CA LYS A 99 3.665 6.984 -2.846 1.00 0.00 C ATOM 1535 C LYS A 99 4.501 7.609 -1.753 1.00 0.00 C ATOM 1536 O LYS A 99 4.092 8.611 -1.156 1.00 0.00 O ATOM 1537 CB LYS A 99 4.139 7.525 -4.200 1.00 0.00 C ATOM 1538 CG LYS A 99 3.278 7.098 -5.389 1.00 0.00 C ATOM 1539 CD LYS A 99 3.873 7.613 -6.701 1.00 0.00 C ATOM 1540 CE LYS A 99 2.899 7.314 -7.837 1.00 0.00 C ATOM 1541 NZ LYS A 99 3.272 8.035 -9.069 1.00 0.00 N ATOM 0 H LYS A 99 2.082 8.273 -2.466 1.00 0.00 H new ATOM 0 HA LYS A 99 3.777 5.900 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.160 8.614 -4.155 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.163 7.193 -4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.205 6.011 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.265 7.483 -5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.058 8.685 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.834 7.135 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.883 6.242 -8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.890 7.599 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.987 7.476 -9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.791 8.957 -9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.302 8.181 -9.088 1.00 0.00 H new ATOM 1555 N MET A 100 5.686 7.060 -1.526 1.00 0.00 N ATOM 1556 CA MET A 100 6.576 7.502 -0.474 1.00 0.00 C ATOM 1557 C MET A 100 8.028 7.354 -0.900 1.00 0.00 C ATOM 1558 O MET A 100 8.370 6.398 -1.585 1.00 0.00 O ATOM 1559 CB MET A 100 6.310 6.740 0.837 1.00 0.00 C ATOM 1560 CG MET A 100 5.593 5.379 0.737 1.00 0.00 C ATOM 1561 SD MET A 100 5.306 4.585 2.350 1.00 0.00 S ATOM 1562 CE MET A 100 6.850 4.840 3.256 1.00 0.00 C ATOM 0 H MET A 100 6.056 6.286 -2.077 1.00 0.00 H new ATOM 0 HA MET A 100 6.379 8.558 -0.291 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.267 6.580 1.333 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.718 7.385 1.487 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.636 5.518 0.235 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.186 4.710 0.113 1.00 0.00 H new ATOM 0 HE1 MET A 100 6.769 4.392 4.246 1.00 0.00 H new ATOM 0 HE2 MET A 100 7.672 4.374 2.713 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.041 5.908 3.356 1.00 0.00 H new ATOM 1572 N GLU A 101 8.883 8.284 -0.489 1.00 0.00 N ATOM 1573 CA GLU A 101 10.320 8.210 -0.650 1.00 0.00 C ATOM 1574 C GLU A 101 10.829 7.034 0.182 1.00 0.00 C ATOM 1575 O GLU A 101 10.348 6.836 1.303 1.00 0.00 O ATOM 1576 CB GLU A 101 10.898 9.541 -0.168 1.00 0.00 C ATOM 1577 CG GLU A 101 12.420 9.607 -0.290 1.00 0.00 C ATOM 1578 CD GLU A 101 12.900 10.973 0.183 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.062 11.181 1.410 1.00 0.00 O ATOM 1580 OE2 GLU A 101 13.098 11.863 -0.672 1.00 0.00 O ATOM 0 H GLU A 101 8.579 9.137 -0.019 1.00 0.00 H new ATOM 0 HA GLU A 101 10.620 8.048 -1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.457 10.353 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.615 9.699 0.873 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.879 8.820 0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.722 9.440 -1.324 1.00 0.00 H new ATOM 1587 N ILE A 102 11.779 6.259 -0.349 1.00 0.00 N ATOM 1588 CA ILE A 102 12.385 5.159 0.376 1.00 0.00 C ATOM 1589 C ILE A 102 13.586 5.657 1.180 1.00 0.00 C ATOM 1590 O ILE A 102 14.661 5.889 0.620 1.00 0.00 O ATOM 1591 CB ILE A 102 12.713 3.959 -0.534 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.404 4.350 -1.860 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.436 3.159 -0.844 1.00 0.00 C ATOM 1594 CD1 ILE A 102 14.267 3.257 -2.473 1.00 0.00 C ATOM 0 H ILE A 102 12.144 6.383 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 102 11.654 4.774 1.087 1.00 0.00 H new ATOM 0 HB ILE A 102 13.423 3.349 0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.639 4.638 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.024 5.229 -1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.683 2.315 -1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 102 11.002 2.792 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.717 3.803 -1.350 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.711 3.621 -3.400 1.00 0.00 H new ATOM 0 HD12 ILE A 102 15.058 2.983 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 102 13.651 2.383 -2.685 1.00 0.00 H new ATOM 1606 N SER A 103 13.408 5.782 2.499 1.00 0.00 N ATOM 1607 CA SER A 103 14.501 6.060 3.421 1.00 0.00 C ATOM 1608 C SER A 103 15.578 4.966 3.321 1.00 0.00 C ATOM 1609 O SER A 103 16.761 5.269 3.466 1.00 0.00 O ATOM 1610 CB SER A 103 13.958 6.165 4.861 1.00 0.00 C ATOM 1611 OG SER A 103 14.558 7.218 5.605 1.00 0.00 O ATOM 0 H SER A 103 12.499 5.692 2.953 1.00 0.00 H new ATOM 0 HA SER A 103 14.960 7.011 3.152 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.880 6.320 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.128 5.220 5.377 1.00 0.00 H new ATOM 0 HG SER A 103 14.176 7.240 6.507 1.00 0.00 H new ATOM 1617 N ASP A 104 15.186 3.716 3.066 1.00 0.00 N ATOM 1618 CA ASP A 104 16.031 2.528 3.111 1.00 0.00 C ATOM 1619 C ASP A 104 15.511 1.563 2.048 1.00 0.00 C ATOM 1620 O ASP A 104 14.489 0.921 2.278 1.00 0.00 O ATOM 1621 CB ASP A 104 15.962 1.843 4.493 1.00 0.00 C ATOM 1622 CG ASP A 104 16.505 2.680 5.648 1.00 0.00 C ATOM 1623 OD1 ASP A 104 15.705 3.406 6.275 1.00 0.00 O ATOM 1624 OD2 ASP A 104 17.696 2.529 6.000 1.00 0.00 O ATOM 0 H ASP A 104 14.223 3.498 2.810 1.00 0.00 H new ATOM 0 HA ASP A 104 17.069 2.809 2.930 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.924 1.587 4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.519 0.907 4.448 1.00 0.00 H new ATOM 1629 N GLU A 105 16.181 1.443 0.898 1.00 0.00 N ATOM 1630 CA GLU A 105 16.060 0.309 -0.029 1.00 0.00 C ATOM 1631 C GLU A 105 16.730 -0.944 0.588 1.00 0.00 C ATOM 1632 O GLU A 105 16.652 -2.033 0.022 1.00 0.00 O ATOM 1633 CB GLU A 105 16.582 0.770 -1.410 1.00 0.00 C ATOM 1634 CG GLU A 105 17.357 -0.230 -2.273 1.00 0.00 C ATOM 1635 CD GLU A 105 17.378 0.172 -3.745 1.00 0.00 C ATOM 1636 OE1 GLU A 105 16.355 -0.051 -4.438 1.00 0.00 O ATOM 1637 OE2 GLU A 105 18.429 0.627 -4.252 1.00 0.00 O ATOM 0 H GLU A 105 16.841 2.150 0.575 1.00 0.00 H new ATOM 0 HA GLU A 105 15.030 -0.006 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.725 1.113 -1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.225 1.635 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.380 -0.308 -1.905 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.907 -1.218 -2.174 1.00 0.00 H new ATOM 1644 N GLY A 106 17.327 -0.833 1.780 1.00 0.00 N ATOM 1645 CA GLY A 106 17.766 -1.967 2.574 1.00 0.00 C ATOM 1646 C GLY A 106 16.617 -2.915 2.898 1.00 0.00 C ATOM 1647 O GLY A 106 16.614 -4.061 2.451 1.00 0.00 O ATOM 0 H GLY A 106 17.518 0.067 2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.542 -2.509 2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.213 -1.609 3.501 1.00 0.00 H new ATOM 1651 N GLU A 107 15.638 -2.429 3.669 1.00 0.00 N ATOM 1652 CA GLU A 107 14.666 -3.296 4.334 1.00 0.00 C ATOM 1653 C GLU A 107 13.665 -3.936 3.368 1.00 0.00 C ATOM 1654 O GLU A 107 12.948 -4.854 3.757 1.00 0.00 O ATOM 1655 CB GLU A 107 13.925 -2.534 5.436 1.00 0.00 C ATOM 1656 CG GLU A 107 14.842 -2.149 6.607 1.00 0.00 C ATOM 1657 CD GLU A 107 14.068 -1.772 7.870 1.00 0.00 C ATOM 1658 OE1 GLU A 107 12.828 -1.637 7.840 1.00 0.00 O ATOM 1659 OE2 GLU A 107 14.670 -1.611 8.955 1.00 0.00 O ATOM 0 H GLU A 107 15.500 -1.434 3.847 1.00 0.00 H new ATOM 0 HA GLU A 107 15.239 -4.111 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.482 -1.632 5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 107 13.105 -3.148 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 107 15.507 -2.983 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 107 15.471 -1.310 6.309 1.00 0.00 H new ATOM 1666 N LEU A 108 13.633 -3.506 2.106 1.00 0.00 N ATOM 1667 CA LEU A 108 13.012 -4.199 1.006 1.00 0.00 C ATOM 1668 C LEU A 108 13.401 -5.672 1.017 1.00 0.00 C ATOM 1669 O LEU A 108 12.531 -6.523 0.914 1.00 0.00 O ATOM 1670 CB LEU A 108 13.516 -3.566 -0.287 1.00 0.00 C ATOM 1671 CG LEU A 108 13.091 -2.131 -0.599 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.071 -1.112 0.517 1.00 0.00 C ATOM 1673 CD2 LEU A 108 13.718 -1.677 -1.914 1.00 0.00 C ATOM 0 H LEU A 108 14.062 -2.625 1.823 1.00 0.00 H new ATOM 0 HA LEU A 108 11.928 -4.123 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.605 -3.595 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.193 -4.197 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 108 12.010 -2.184 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.747 -0.148 0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.380 -1.438 1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.072 -1.014 0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 108 13.411 -0.654 -2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 108 14.804 -1.720 -1.833 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.388 -2.332 -2.720 1.00 0.00 H new ATOM 1685 N GLU A 109 14.685 -5.992 1.154 1.00 0.00 N ATOM 1686 CA GLU A 109 15.145 -7.371 1.055 1.00 0.00 C ATOM 1687 C GLU A 109 14.803 -8.159 2.329 1.00 0.00 C ATOM 1688 O GLU A 109 14.806 -9.392 2.308 1.00 0.00 O ATOM 1689 CB GLU A 109 16.645 -7.387 0.731 1.00 0.00 C ATOM 1690 CG GLU A 109 17.025 -6.635 -0.563 1.00 0.00 C ATOM 1691 CD GLU A 109 16.531 -7.260 -1.875 1.00 0.00 C ATOM 1692 OE1 GLU A 109 15.307 -7.325 -2.106 1.00 0.00 O ATOM 1693 OE2 GLU A 109 17.392 -7.593 -2.730 1.00 0.00 O ATOM 0 H GLU A 109 15.425 -5.313 1.334 1.00 0.00 H new ATOM 0 HA GLU A 109 14.624 -7.874 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.190 -6.947 1.566 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.975 -8.422 0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.634 -5.620 -0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.111 -6.556 -0.608 1.00 0.00 H new ATOM 1700 N ASP A 110 14.454 -7.467 3.416 1.00 0.00 N ATOM 1701 CA ASP A 110 13.959 -8.050 4.660 1.00 0.00 C ATOM 1702 C ASP A 110 12.433 -8.253 4.604 1.00 0.00 C ATOM 1703 O ASP A 110 11.877 -9.017 5.398 1.00 0.00 O ATOM 1704 CB ASP A 110 14.349 -7.136 5.836 1.00 0.00 C ATOM 1705 CG ASP A 110 14.311 -7.863 7.181 1.00 0.00 C ATOM 1706 OD1 ASP A 110 15.128 -8.789 7.387 1.00 0.00 O ATOM 1707 OD2 ASP A 110 13.533 -7.474 8.081 1.00 0.00 O ATOM 0 H ASP A 110 14.511 -6.449 3.453 1.00 0.00 H new ATOM 0 HA ASP A 110 14.413 -9.031 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 110 15.351 -6.741 5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 110 13.672 -6.283 5.869 1.00 0.00 H new ATOM 1712 N LEU A 111 11.737 -7.580 3.680 1.00 0.00 N ATOM 1713 CA LEU A 111 10.306 -7.704 3.382 1.00 0.00 C ATOM 1714 C LEU A 111 10.034 -8.924 2.495 1.00 0.00 C ATOM 1715 O LEU A 111 10.929 -9.710 2.176 1.00 0.00 O ATOM 1716 CB LEU A 111 9.797 -6.412 2.700 1.00 0.00 C ATOM 1717 CG LEU A 111 9.278 -5.308 3.630 1.00 0.00 C ATOM 1718 CD1 LEU A 111 8.693 -4.216 2.725 1.00 0.00 C ATOM 1719 CD2 LEU A 111 8.193 -5.794 4.599 1.00 0.00 C ATOM 0 H LEU A 111 12.189 -6.889 3.081 1.00 0.00 H new ATOM 0 HA LEU A 111 9.768 -7.846 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.609 -6.000 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.997 -6.682 2.011 1.00 0.00 H new ATOM 0 HG LEU A 111 10.101 -4.952 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 111 8.308 -3.402 3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 111 9.472 -3.835 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.883 -4.634 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.869 -4.965 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.343 -6.173 4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.595 -6.590 5.226 1.00 0.00 H new ATOM 1731 N LEU A 112 8.765 -9.127 2.135 1.00 0.00 N ATOM 1732 CA LEU A 112 8.294 -10.312 1.438 1.00 0.00 C ATOM 1733 C LEU A 112 8.429 -10.125 -0.077 1.00 0.00 C ATOM 1734 O LEU A 112 7.851 -9.199 -0.649 1.00 0.00 O ATOM 1735 CB LEU A 112 6.835 -10.611 1.830 1.00 0.00 C ATOM 1736 CG LEU A 112 6.661 -11.106 3.281 1.00 0.00 C ATOM 1737 CD1 LEU A 112 5.223 -10.843 3.691 1.00 0.00 C ATOM 1738 CD2 LEU A 112 6.961 -12.585 3.525 1.00 0.00 C ATOM 0 H LEU A 112 8.024 -8.453 2.327 1.00 0.00 H new ATOM 0 HA LEU A 112 8.908 -11.164 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.241 -9.708 1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.434 -11.363 1.150 1.00 0.00 H new ATOM 0 HG LEU A 112 7.397 -10.560 3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.069 -11.183 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.016 -9.775 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.550 -11.382 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.805 -12.819 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.296 -13.197 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 112 7.996 -12.796 3.256 1.00 0.00 H new ATOM 1750 N ASP A 113 9.187 -10.999 -0.744 1.00 0.00 N ATOM 1751 CA ASP A 113 9.151 -11.176 -2.197 1.00 0.00 C ATOM 1752 C ASP A 113 7.830 -11.778 -2.633 1.00 0.00 C ATOM 1753 O ASP A 113 7.089 -12.297 -1.812 1.00 0.00 O ATOM 1754 CB ASP A 113 10.296 -12.045 -2.718 1.00 0.00 C ATOM 1755 CG ASP A 113 11.530 -11.194 -2.909 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.299 -11.012 -1.944 1.00 0.00 O ATOM 1757 OD2 ASP A 113 11.666 -10.562 -3.980 1.00 0.00 O ATOM 0 H ASP A 113 9.855 -11.615 -0.280 1.00 0.00 H new ATOM 0 HA ASP A 113 9.267 -10.181 -2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.503 -12.852 -2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.013 -12.510 -3.662 1.00 0.00 H new ATOM 1762 N GLU A 114 7.561 -11.740 -3.932 1.00 0.00 N ATOM 1763 CA GLU A 114 6.244 -11.870 -4.542 1.00 0.00 C ATOM 1764 C GLU A 114 5.686 -13.284 -4.407 1.00 0.00 C ATOM 1765 O GLU A 114 4.622 -13.485 -3.819 1.00 0.00 O ATOM 1766 CB GLU A 114 6.358 -11.439 -6.011 1.00 0.00 C ATOM 1767 CG GLU A 114 5.008 -11.401 -6.729 1.00 0.00 C ATOM 1768 CD GLU A 114 5.142 -10.669 -8.061 1.00 0.00 C ATOM 1769 OE1 GLU A 114 5.473 -11.323 -9.072 1.00 0.00 O ATOM 1770 OE2 GLU A 114 4.944 -9.431 -8.111 1.00 0.00 O ATOM 0 H GLU A 114 8.297 -11.610 -4.626 1.00 0.00 H new ATOM 0 HA GLU A 114 5.535 -11.226 -4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.817 -10.452 -6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.023 -12.126 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 114 4.649 -12.416 -6.898 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.269 -10.901 -6.103 1.00 0.00 H new ATOM 1777 N GLN A 115 6.427 -14.266 -4.920 1.00 0.00 N ATOM 1778 CA GLN A 115 6.158 -15.677 -4.785 1.00 0.00 C ATOM 1779 C GLN A 115 5.914 -16.025 -3.316 1.00 0.00 C ATOM 1780 O GLN A 115 4.994 -16.764 -2.965 1.00 0.00 O ATOM 1781 CB GLN A 115 7.422 -16.351 -5.340 1.00 0.00 C ATOM 1782 CG GLN A 115 7.467 -17.838 -5.041 1.00 0.00 C ATOM 1783 CD GLN A 115 8.709 -18.471 -5.638 1.00 0.00 C ATOM 1784 OE1 GLN A 115 8.704 -18.829 -6.814 1.00 0.00 O ATOM 1785 NE2 GLN A 115 9.795 -18.573 -4.889 1.00 0.00 N ATOM 0 H GLN A 115 7.269 -14.079 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 115 5.265 -16.005 -5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 115 7.467 -16.199 -6.418 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.303 -15.871 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 115 7.455 -17.997 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 115 6.577 -18.322 -5.444 1.00 0.00 H new ATOM 0 HE21 GLN A 115 9.774 -18.269 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 115 10.654 -18.956 -5.285 1.00 0.00 H new ATOM 1794 N ALA A 116 6.799 -15.510 -2.471 1.00 0.00 N ATOM 1795 CA ALA A 116 6.908 -15.857 -1.079 1.00 0.00 C ATOM 1796 C ALA A 116 5.842 -15.134 -0.218 1.00 0.00 C ATOM 1797 O ALA A 116 5.429 -15.667 0.815 1.00 0.00 O ATOM 1798 CB ALA A 116 8.368 -15.584 -0.719 1.00 0.00 C ATOM 0 H ALA A 116 7.484 -14.811 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 116 6.682 -16.903 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.535 -15.824 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.017 -16.201 -1.340 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.594 -14.532 -0.891 1.00 0.00 H new ATOM 1804 N TYR A 117 5.340 -13.976 -0.670 1.00 0.00 N ATOM 1805 CA TYR A 117 4.168 -13.255 -0.177 1.00 0.00 C ATOM 1806 C TYR A 117 2.908 -14.073 -0.441 1.00 0.00 C ATOM 1807 O TYR A 117 2.021 -14.127 0.407 1.00 0.00 O ATOM 1808 CB TYR A 117 4.073 -11.885 -0.890 1.00 0.00 C ATOM 1809 CG TYR A 117 2.667 -11.364 -1.144 1.00 0.00 C ATOM 1810 CD1 TYR A 117 1.821 -11.075 -0.058 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.174 -11.266 -2.462 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.470 -10.762 -0.285 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.834 -10.917 -2.697 1.00 0.00 C ATOM 1814 CZ TYR A 117 -0.031 -10.695 -1.603 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.353 -10.453 -1.814 1.00 0.00 O ATOM 0 H TYR A 117 5.779 -13.486 -1.449 1.00 0.00 H new ATOM 0 HA TYR A 117 4.263 -13.096 0.897 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.610 -11.148 -0.293 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.591 -11.958 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.209 -11.094 0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.832 -11.461 -3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -0.187 -10.572 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.467 -10.819 -3.708 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.533 -10.438 -2.777 1.00 0.00 H new ATOM 1825 N GLN A 118 2.819 -14.705 -1.608 1.00 0.00 N ATOM 1826 CA GLN A 118 1.715 -15.578 -1.923 1.00 0.00 C ATOM 1827 C GLN A 118 1.741 -16.782 -0.970 1.00 0.00 C ATOM 1828 O GLN A 118 0.736 -17.070 -0.332 1.00 0.00 O ATOM 1829 CB GLN A 118 1.791 -15.900 -3.421 1.00 0.00 C ATOM 1830 CG GLN A 118 1.202 -17.264 -3.721 1.00 0.00 C ATOM 1831 CD GLN A 118 0.764 -17.366 -5.173 1.00 0.00 C ATOM 1832 OE1 GLN A 118 -0.291 -16.871 -5.555 1.00 0.00 O ATOM 1833 NE2 GLN A 118 1.578 -17.956 -6.031 1.00 0.00 N ATOM 0 H GLN A 118 3.511 -14.621 -2.352 1.00 0.00 H new ATOM 0 HA GLN A 118 0.738 -15.122 -1.762 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.255 -15.138 -3.987 1.00 0.00 H new ATOM 0 HB3 GLN A 118 2.830 -15.870 -3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 118 1.940 -18.037 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.349 -17.447 -3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.454 -18.365 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 118 1.331 -18.002 -7.019 1.00 0.00 H new ATOM 1842 N GLU A 119 2.872 -17.474 -0.855 1.00 0.00 N ATOM 1843 CA GLU A 119 3.120 -18.532 0.140 1.00 0.00 C ATOM 1844 C GLU A 119 2.599 -18.120 1.526 1.00 0.00 C ATOM 1845 O GLU A 119 1.873 -18.877 2.165 1.00 0.00 O ATOM 1846 CB GLU A 119 4.626 -18.850 0.192 1.00 0.00 C ATOM 1847 CG GLU A 119 5.042 -20.220 -0.370 1.00 0.00 C ATOM 1848 CD GLU A 119 5.029 -21.378 0.629 1.00 0.00 C ATOM 1849 OE1 GLU A 119 5.271 -21.141 1.833 1.00 0.00 O ATOM 1850 OE2 GLU A 119 4.866 -22.540 0.177 1.00 0.00 O ATOM 0 H GLU A 119 3.671 -17.314 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 119 2.578 -19.429 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.161 -18.076 -0.358 1.00 0.00 H new ATOM 0 HB3 GLU A 119 4.955 -18.789 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.377 -20.470 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 119 6.047 -20.133 -0.784 1.00 0.00 H new ATOM 1857 N PHE A 120 2.902 -16.893 1.962 1.00 0.00 N ATOM 1858 CA PHE A 120 2.475 -16.318 3.237 1.00 0.00 C ATOM 1859 C PHE A 120 0.964 -16.439 3.467 1.00 0.00 C ATOM 1860 O PHE A 120 0.532 -16.636 4.599 1.00 0.00 O ATOM 1861 CB PHE A 120 2.881 -14.843 3.257 1.00 0.00 C ATOM 1862 CG PHE A 120 3.041 -14.232 4.627 1.00 0.00 C ATOM 1863 CD1 PHE A 120 4.021 -14.698 5.520 1.00 0.00 C ATOM 1864 CD2 PHE A 120 2.176 -13.200 5.020 1.00 0.00 C ATOM 1865 CE1 PHE A 120 4.073 -14.180 6.823 1.00 0.00 C ATOM 1866 CE2 PHE A 120 2.248 -12.665 6.309 1.00 0.00 C ATOM 1867 CZ PHE A 120 3.167 -13.190 7.226 1.00 0.00 C ATOM 0 H PHE A 120 3.473 -16.250 1.414 1.00 0.00 H new ATOM 0 HA PHE A 120 2.960 -16.875 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 120 3.823 -14.736 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.133 -14.271 2.708 1.00 0.00 H new ATOM 0 HD1 PHE A 120 4.730 -15.450 5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 120 1.448 -12.816 4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.814 -14.546 7.518 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.599 -11.851 6.596 1.00 0.00 H new ATOM 0 HZ PHE A 120 3.177 -12.832 8.245 1.00 0.00 H new ATOM 1877 N CYS A 121 0.175 -16.300 2.401 1.00 0.00 N ATOM 1878 CA CYS A 121 -1.292 -16.323 2.421 1.00 0.00 C ATOM 1879 C CYS A 121 -1.889 -17.733 2.525 1.00 0.00 C ATOM 1880 O CYS A 121 -3.053 -17.900 2.902 1.00 0.00 O ATOM 1881 CB CYS A 121 -1.827 -15.575 1.187 1.00 0.00 C ATOM 1882 SG CYS A 121 -2.348 -16.612 -0.210 1.00 0.00 S ATOM 0 H CYS A 121 0.552 -16.163 1.463 1.00 0.00 H new ATOM 0 HA CYS A 121 -1.612 -15.815 3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 121 -2.675 -14.965 1.497 1.00 0.00 H new ATOM 0 HB3 CYS A 121 -1.053 -14.892 0.837 1.00 0.00 H new ATOM 0 HG CYS A 121 -1.304 -17.161 -0.756 1.00 0.00 H new ATOM 1888 N ALA A 122 -1.121 -18.755 2.151 1.00 0.00 N ATOM 1889 CA ALA A 122 -1.431 -20.153 2.453 1.00 0.00 C ATOM 1890 C ALA A 122 -1.027 -20.449 3.892 1.00 0.00 C ATOM 1891 O ALA A 122 -1.775 -21.076 4.636 1.00 0.00 O ATOM 1892 CB ALA A 122 -0.686 -21.096 1.505 1.00 0.00 C ATOM 0 H ALA A 122 -0.256 -18.635 1.624 1.00 0.00 H new ATOM 0 HA ALA A 122 -2.501 -20.314 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -0.933 -22.129 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.981 -20.887 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 122 0.388 -20.945 1.612 1.00 0.00 H new ATOM 1898 N GLN A 123 0.149 -19.961 4.278 1.00 0.00 N ATOM 1899 CA GLN A 123 0.747 -20.038 5.603 1.00 0.00 C ATOM 1900 C GLN A 123 0.039 -19.069 6.581 1.00 0.00 C ATOM 1901 O GLN A 123 0.679 -18.573 7.518 1.00 0.00 O ATOM 1902 CB GLN A 123 2.253 -19.715 5.452 1.00 0.00 C ATOM 1903 CG GLN A 123 3.032 -20.607 4.451 1.00 0.00 C ATOM 1904 CD GLN A 123 3.903 -21.693 5.082 1.00 0.00 C ATOM 1905 OE1 GLN A 123 3.754 -22.050 6.247 1.00 0.00 O ATOM 1906 NE2 GLN A 123 4.867 -22.217 4.348 1.00 0.00 N ATOM 0 H GLN A 123 0.752 -19.465 3.622 1.00 0.00 H new ATOM 0 HA GLN A 123 0.629 -21.036 6.026 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.354 -18.676 5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 123 2.725 -19.801 6.431 1.00 0.00 H new ATOM 0 HG2 GLN A 123 2.316 -21.083 3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 123 3.666 -19.967 3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 123 4.990 -21.920 3.380 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.489 -22.919 4.749 1.00 0.00 H new ATOM 1915 N GLU A 124 -1.235 -18.732 6.359 1.00 0.00 N ATOM 1916 CA GLU A 124 -2.053 -17.819 7.155 1.00 0.00 C ATOM 1917 C GLU A 124 -3.198 -18.614 7.746 1.00 0.00 C ATOM 1918 O GLU A 124 -3.283 -18.701 8.992 1.00 0.00 O ATOM 1919 CB GLU A 124 -2.565 -16.648 6.288 1.00 0.00 C ATOM 1920 CG GLU A 124 -3.511 -15.730 7.079 1.00 0.00 C ATOM 1921 CD GLU A 124 -3.642 -14.320 6.488 1.00 0.00 C ATOM 1922 OE1 GLU A 124 -4.065 -14.149 5.323 1.00 0.00 O ATOM 1923 OE2 GLU A 124 -3.262 -13.360 7.211 1.00 0.00 O ATOM 0 H GLU A 124 -1.753 -19.115 5.568 1.00 0.00 H new ATOM 0 HA GLU A 124 -1.461 -17.380 7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -1.718 -16.069 5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -3.085 -17.041 5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -4.498 -16.190 7.120 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.153 -15.652 8.105 1.00 0.00 H new TER 1930 GLU A 124