USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0384 (180deg=-0.364) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.207 (180deg=-0.281) USER MOD Single : A 2 LYS NZ :NH3+ -143:sc= -0.207 (180deg=-2.29!) USER MOD Single : A 3 SER OG : rot 67:sc= 1.07 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0.0059 (180deg=0.000625) USER MOD Single : A 25 THR OG1 : rot 79:sc= 1.3 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.1) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0232 K(o=-0.023,f=-1.1) USER MOD Single : A 52 MET CE :methyl -160:sc= -0.0994 (180deg=-0.557) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 160:sc= -0.104 (180deg=-0.592) USER MOD Single : B 1 MET N :NH3+ 172:sc= -0.119 (180deg=-0.194) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 131:sc= 1.25 USER MOD Single : B 4 THR OG1 : rot 70:sc= -1.36 USER MOD Single : B 9 LYS NZ :NH3+ 142:sc= -1.31 (180deg=-3.14!) USER MOD Single : B 25 THR OG1 : rot 52:sc= 1.21 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 179:sc= 1.3 (180deg=1.23) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : B 52 MET CE :methyl -148:sc= -0.33 (180deg=-1.26!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.072 -16.124 -1.750 1.00 2.21 N ATOM 2 CA MET A 1 -5.395 -16.244 -0.437 1.00 1.64 C ATOM 3 C MET A 1 -4.081 -15.468 -0.429 1.00 1.23 C ATOM 4 O MET A 1 -3.616 -15.023 0.620 1.00 1.81 O ATOM 5 CB MET A 1 -5.123 -17.722 -0.108 1.00 1.97 C ATOM 6 CG MET A 1 -4.091 -18.379 -1.019 1.00 2.79 C ATOM 7 SD MET A 1 -3.828 -20.129 -0.655 1.00 3.93 S ATOM 8 CE MET A 1 -5.403 -20.823 -1.155 1.00 4.93 C ATOM 0 H1 MET A 1 -7.002 -16.588 -1.705 1.00 2.21 H new ATOM 0 H2 MET A 1 -6.198 -15.119 -1.985 1.00 2.21 H new ATOM 0 H3 MET A 1 -5.492 -16.581 -2.483 1.00 2.21 H new ATOM 0 HA MET A 1 -6.055 -15.822 0.321 1.00 1.64 H new ATOM 0 HB2 MET A 1 -4.782 -17.797 0.924 1.00 1.97 H new ATOM 0 HB3 MET A 1 -6.059 -18.277 -0.176 1.00 1.97 H new ATOM 0 HG2 MET A 1 -4.413 -18.275 -2.055 1.00 2.79 H new ATOM 0 HG3 MET A 1 -3.143 -17.849 -0.925 1.00 2.79 H new ATOM 0 HE1 MET A 1 -5.302 -21.901 -1.279 1.00 4.93 H new ATOM 0 HE2 MET A 1 -6.152 -20.614 -0.391 1.00 4.93 H new ATOM 0 HE3 MET A 1 -5.714 -20.376 -2.099 1.00 4.93 H new ATOM 20 N LYS A 2 -3.486 -15.312 -1.602 1.00 0.78 N ATOM 21 CA LYS A 2 -2.215 -14.612 -1.731 1.00 0.56 C ATOM 22 C LYS A 2 -2.454 -13.168 -2.153 1.00 0.54 C ATOM 23 O LYS A 2 -3.499 -12.591 -1.864 1.00 1.09 O ATOM 24 CB LYS A 2 -1.347 -15.318 -2.780 1.00 0.72 C ATOM 25 CG LYS A 2 -1.918 -15.245 -4.193 1.00 0.82 C ATOM 26 CD LYS A 2 -0.933 -15.719 -5.247 1.00 0.85 C ATOM 27 CE LYS A 2 0.361 -14.925 -5.195 1.00 0.69 C ATOM 28 NZ LYS A 2 1.366 -15.567 -4.308 1.00 1.67 N ATOM 0 H LYS A 2 -3.864 -15.662 -2.482 1.00 0.78 H new ATOM 0 HA LYS A 2 -1.704 -14.620 -0.768 1.00 0.56 H new ATOM 0 HB2 LYS A 2 -0.352 -14.873 -2.776 1.00 0.72 H new ATOM 0 HB3 LYS A 2 -1.229 -16.364 -2.498 1.00 0.72 H new ATOM 0 HG2 LYS A 2 -2.822 -15.852 -4.247 1.00 0.82 H new ATOM 0 HG3 LYS A 2 -2.210 -14.218 -4.410 1.00 0.82 H new ATOM 0 HD2 LYS A 2 -0.718 -16.777 -5.097 1.00 0.85 H new ATOM 0 HD3 LYS A 2 -1.381 -15.622 -6.236 1.00 0.85 H new ATOM 0 HE2 LYS A 2 0.771 -14.831 -6.201 1.00 0.69 H new ATOM 0 HE3 LYS A 2 0.154 -13.916 -4.840 1.00 0.69 H new ATOM 0 HZ1 LYS A 2 1.900 -14.833 -3.800 1.00 1.67 H new ATOM 0 HZ2 LYS A 2 0.882 -16.180 -3.622 1.00 1.67 H new ATOM 0 HZ3 LYS A 2 2.020 -16.137 -4.881 1.00 1.67 H new ATOM 42 N SER A 3 -1.476 -12.597 -2.836 1.00 0.48 N ATOM 43 CA SER A 3 -1.612 -11.297 -3.444 1.00 0.40 C ATOM 44 C SER A 3 -2.597 -11.336 -4.605 1.00 0.40 C ATOM 45 O SER A 3 -3.309 -12.323 -4.813 1.00 0.46 O ATOM 46 CB SER A 3 -0.244 -10.845 -3.952 1.00 0.41 C ATOM 47 OG SER A 3 0.659 -10.676 -2.874 1.00 0.44 O ATOM 0 H SER A 3 -0.564 -13.029 -2.981 1.00 0.48 H new ATOM 0 HA SER A 3 -1.992 -10.598 -2.699 1.00 0.40 H new ATOM 0 HB2 SER A 3 0.151 -11.581 -4.652 1.00 0.41 H new ATOM 0 HB3 SER A 3 -0.345 -9.907 -4.499 1.00 0.41 H new ATOM 0 HG SER A 3 0.843 -11.546 -2.462 1.00 0.44 H new ATOM 53 N THR A 4 -2.633 -10.241 -5.340 1.00 0.37 N ATOM 54 CA THR A 4 -3.375 -10.159 -6.577 1.00 0.37 C ATOM 55 C THR A 4 -4.885 -10.152 -6.331 1.00 0.37 C ATOM 56 O THR A 4 -5.591 -11.115 -6.630 1.00 0.48 O ATOM 57 CB THR A 4 -2.988 -11.301 -7.540 1.00 0.39 C ATOM 58 OG1 THR A 4 -1.560 -11.407 -7.611 1.00 0.35 O ATOM 59 CG2 THR A 4 -3.536 -11.047 -8.932 1.00 0.45 C ATOM 0 H THR A 4 -2.145 -9.381 -5.092 1.00 0.37 H new ATOM 0 HA THR A 4 -3.109 -9.212 -7.047 1.00 0.37 H new ATOM 0 HB THR A 4 -3.415 -12.228 -7.159 1.00 0.39 H new ATOM 0 HG1 THR A 4 -1.316 -12.134 -8.222 1.00 0.35 H new ATOM 0 HG21 THR A 4 -3.249 -11.866 -9.591 1.00 0.45 H new ATOM 0 HG22 THR A 4 -4.623 -10.980 -8.888 1.00 0.45 H new ATOM 0 HG23 THR A 4 -3.130 -10.112 -9.318 1.00 0.45 H new ATOM 67 N GLY A 5 -5.357 -9.066 -5.738 1.00 0.31 N ATOM 68 CA GLY A 5 -6.774 -8.877 -5.548 1.00 0.30 C ATOM 69 C GLY A 5 -7.238 -9.405 -4.213 1.00 0.28 C ATOM 70 O GLY A 5 -8.334 -9.955 -4.098 1.00 0.32 O ATOM 0 H GLY A 5 -4.775 -8.307 -5.383 1.00 0.31 H new ATOM 0 HA2 GLY A 5 -7.012 -7.816 -5.621 1.00 0.30 H new ATOM 0 HA3 GLY A 5 -7.318 -9.381 -6.347 1.00 0.30 H new ATOM 74 N ILE A 6 -6.409 -9.225 -3.195 1.00 0.27 N ATOM 75 CA ILE A 6 -6.747 -9.682 -1.858 1.00 0.28 C ATOM 76 C ILE A 6 -7.157 -8.496 -0.997 1.00 0.27 C ATOM 77 O ILE A 6 -6.518 -7.449 -1.020 1.00 0.40 O ATOM 78 CB ILE A 6 -5.585 -10.438 -1.172 1.00 0.34 C ATOM 79 CG1 ILE A 6 -6.052 -10.989 0.178 1.00 0.38 C ATOM 80 CG2 ILE A 6 -4.364 -9.540 -0.995 1.00 0.35 C ATOM 81 CD1 ILE A 6 -6.964 -12.190 0.060 1.00 0.49 C ATOM 0 H ILE A 6 -5.501 -8.767 -3.270 1.00 0.27 H new ATOM 0 HA ILE A 6 -7.575 -10.383 -1.961 1.00 0.28 H new ATOM 0 HB ILE A 6 -5.289 -11.268 -1.813 1.00 0.34 H new ATOM 0 HG12 ILE A 6 -5.179 -11.263 0.770 1.00 0.38 H new ATOM 0 HG13 ILE A 6 -6.572 -10.201 0.722 1.00 0.38 H new ATOM 0 HG21 ILE A 6 -3.566 -10.102 -0.510 1.00 0.35 H new ATOM 0 HG22 ILE A 6 -4.023 -9.194 -1.970 1.00 0.35 H new ATOM 0 HG23 ILE A 6 -4.630 -8.682 -0.378 1.00 0.35 H new ATOM 0 HD11 ILE A 6 -7.254 -12.526 1.056 1.00 0.49 H new ATOM 0 HD12 ILE A 6 -7.855 -11.916 -0.505 1.00 0.49 H new ATOM 0 HD13 ILE A 6 -6.441 -12.995 -0.456 1.00 0.49 H new ATOM 93 N VAL A 7 -8.221 -8.655 -0.244 1.00 0.24 N ATOM 94 CA VAL A 7 -8.748 -7.567 0.545 1.00 0.24 C ATOM 95 C VAL A 7 -8.125 -7.558 1.943 1.00 0.27 C ATOM 96 O VAL A 7 -8.133 -8.569 2.648 1.00 0.34 O ATOM 97 CB VAL A 7 -10.289 -7.653 0.632 1.00 0.30 C ATOM 98 CG1 VAL A 7 -10.748 -8.968 1.262 1.00 0.37 C ATOM 99 CG2 VAL A 7 -10.836 -6.469 1.395 1.00 0.34 C ATOM 0 H VAL A 7 -8.739 -9.530 -0.162 1.00 0.24 H new ATOM 0 HA VAL A 7 -8.486 -6.631 0.052 1.00 0.24 H new ATOM 0 HB VAL A 7 -10.684 -7.628 -0.384 1.00 0.30 H new ATOM 0 HG11 VAL A 7 -11.837 -8.990 1.305 1.00 0.37 H new ATOM 0 HG12 VAL A 7 -10.392 -9.804 0.660 1.00 0.37 H new ATOM 0 HG13 VAL A 7 -10.343 -9.049 2.271 1.00 0.37 H new ATOM 0 HG21 VAL A 7 -11.922 -6.541 1.449 1.00 0.34 H new ATOM 0 HG22 VAL A 7 -10.422 -6.463 2.403 1.00 0.34 H new ATOM 0 HG23 VAL A 7 -10.559 -5.547 0.884 1.00 0.34 H new ATOM 109 N ARG A 8 -7.540 -6.428 2.318 1.00 0.26 N ATOM 110 CA ARG A 8 -6.986 -6.257 3.651 1.00 0.32 C ATOM 111 C ARG A 8 -7.620 -5.062 4.342 1.00 0.27 C ATOM 112 O ARG A 8 -8.179 -4.180 3.685 1.00 0.22 O ATOM 113 CB ARG A 8 -5.468 -6.077 3.611 1.00 0.40 C ATOM 114 CG ARG A 8 -4.698 -7.375 3.779 1.00 0.53 C ATOM 115 CD ARG A 8 -4.530 -8.108 2.463 1.00 0.54 C ATOM 116 NE ARG A 8 -3.917 -9.424 2.650 1.00 0.76 N ATOM 117 CZ ARG A 8 -2.611 -9.630 2.824 1.00 1.02 C ATOM 118 NH1 ARG A 8 -1.778 -8.600 2.935 1.00 1.96 N ATOM 119 NH2 ARG A 8 -2.144 -10.869 2.915 1.00 1.11 N ATOM 0 H ARG A 8 -7.438 -5.613 1.713 1.00 0.26 H new ATOM 0 HA ARG A 8 -7.210 -7.163 4.214 1.00 0.32 H new ATOM 0 HB2 ARG A 8 -5.190 -5.619 2.662 1.00 0.40 H new ATOM 0 HB3 ARG A 8 -5.172 -5.384 4.398 1.00 0.40 H new ATOM 0 HG2 ARG A 8 -3.717 -7.163 4.204 1.00 0.53 H new ATOM 0 HG3 ARG A 8 -5.220 -8.017 4.488 1.00 0.53 H new ATOM 0 HD2 ARG A 8 -5.503 -8.224 1.985 1.00 0.54 H new ATOM 0 HD3 ARG A 8 -3.913 -7.512 1.791 1.00 0.54 H new ATOM 0 HE ARG A 8 -4.530 -10.239 2.647 1.00 0.76 H new ATOM 0 HH11 ARG A 8 -2.137 -7.646 2.887 1.00 1.96 H new ATOM 0 HH12 ARG A 8 -0.780 -8.763 3.068 1.00 1.96 H new ATOM 0 HH21 ARG A 8 -2.784 -11.661 2.852 1.00 1.11 H new ATOM 0 HH22 ARG A 8 -1.145 -11.029 3.048 1.00 1.11 H new ATOM 133 N LYS A 9 -7.530 -5.041 5.661 1.00 0.31 N ATOM 134 CA LYS A 9 -8.035 -3.929 6.445 1.00 0.27 C ATOM 135 C LYS A 9 -6.980 -2.830 6.479 1.00 0.23 C ATOM 136 O LYS A 9 -5.800 -3.101 6.241 1.00 0.26 O ATOM 137 CB LYS A 9 -8.366 -4.392 7.871 1.00 0.30 C ATOM 138 CG LYS A 9 -9.371 -3.504 8.593 1.00 1.16 C ATOM 139 CD LYS A 9 -10.806 -3.997 8.410 1.00 0.84 C ATOM 140 CE LYS A 9 -11.191 -4.128 6.943 1.00 0.59 C ATOM 141 NZ LYS A 9 -12.617 -4.506 6.770 1.00 0.73 N ATOM 0 H LYS A 9 -7.109 -5.788 6.214 1.00 0.31 H new ATOM 0 HA LYS A 9 -8.948 -3.545 5.990 1.00 0.27 H new ATOM 0 HB2 LYS A 9 -8.758 -5.408 7.830 1.00 0.30 H new ATOM 0 HB3 LYS A 9 -7.445 -4.429 8.453 1.00 0.30 H new ATOM 0 HG2 LYS A 9 -9.131 -3.474 9.656 1.00 1.16 H new ATOM 0 HG3 LYS A 9 -9.288 -2.484 8.219 1.00 1.16 H new ATOM 0 HD2 LYS A 9 -10.921 -4.963 8.901 1.00 0.84 H new ATOM 0 HD3 LYS A 9 -11.490 -3.306 8.902 1.00 0.84 H new ATOM 0 HE2 LYS A 9 -11.003 -3.183 6.434 1.00 0.59 H new ATOM 0 HE3 LYS A 9 -10.558 -4.877 6.468 1.00 0.59 H new ATOM 0 HZ1 LYS A 9 -12.797 -4.732 5.771 1.00 0.73 H new ATOM 0 HZ2 LYS A 9 -12.829 -5.338 7.357 1.00 0.73 H new ATOM 0 HZ3 LYS A 9 -13.224 -3.713 7.060 1.00 0.73 H new ATOM 155 N VAL A 10 -7.392 -1.598 6.750 1.00 0.20 N ATOM 156 CA VAL A 10 -6.445 -0.502 6.824 1.00 0.21 C ATOM 157 C VAL A 10 -5.715 -0.529 8.169 1.00 0.24 C ATOM 158 O VAL A 10 -4.890 -1.412 8.419 1.00 0.44 O ATOM 159 CB VAL A 10 -7.118 0.883 6.621 1.00 0.20 C ATOM 160 CG1 VAL A 10 -6.087 1.951 6.293 1.00 0.22 C ATOM 161 CG2 VAL A 10 -8.191 0.830 5.546 1.00 0.20 C ATOM 0 H VAL A 10 -8.364 -1.338 6.920 1.00 0.20 H new ATOM 0 HA VAL A 10 -5.733 -0.640 6.010 1.00 0.21 H new ATOM 0 HB VAL A 10 -7.599 1.149 7.562 1.00 0.20 H new ATOM 0 HG11 VAL A 10 -6.587 2.910 6.156 1.00 0.22 H new ATOM 0 HG12 VAL A 10 -5.371 2.029 7.111 1.00 0.22 H new ATOM 0 HG13 VAL A 10 -5.563 1.681 5.376 1.00 0.22 H new ATOM 0 HG21 VAL A 10 -8.640 1.817 5.431 1.00 0.20 H new ATOM 0 HG22 VAL A 10 -7.744 0.523 4.601 1.00 0.20 H new ATOM 0 HG23 VAL A 10 -8.960 0.113 5.834 1.00 0.20 H new ATOM 171 N ASP A 11 -6.077 0.397 9.052 1.00 0.24 N ATOM 172 CA ASP A 11 -5.384 0.587 10.325 1.00 0.23 C ATOM 173 C ASP A 11 -5.967 1.790 11.043 1.00 0.24 C ATOM 174 O ASP A 11 -6.773 1.651 11.960 1.00 0.24 O ATOM 175 CB ASP A 11 -3.881 0.790 10.078 1.00 0.40 C ATOM 176 CG ASP A 11 -3.102 1.217 11.303 1.00 0.61 C ATOM 177 OD1 ASP A 11 -3.123 0.489 12.317 1.00 1.15 O ATOM 178 OD2 ASP A 11 -2.447 2.274 11.236 1.00 1.32 O ATOM 0 H ASP A 11 -6.858 1.037 8.907 1.00 0.24 H new ATOM 0 HA ASP A 11 -5.517 -0.298 10.947 1.00 0.23 H new ATOM 0 HB2 ASP A 11 -3.458 -0.140 9.698 1.00 0.40 H new ATOM 0 HB3 ASP A 11 -3.751 1.541 9.299 1.00 0.40 H new ATOM 183 N GLU A 12 -5.565 2.969 10.598 1.00 0.30 N ATOM 184 CA GLU A 12 -6.136 4.222 11.064 1.00 0.33 C ATOM 185 C GLU A 12 -5.814 5.326 10.080 1.00 0.31 C ATOM 186 O GLU A 12 -6.643 5.707 9.251 1.00 0.35 O ATOM 187 CB GLU A 12 -5.630 4.610 12.464 1.00 0.39 C ATOM 188 CG GLU A 12 -4.284 4.020 12.839 1.00 0.43 C ATOM 189 CD GLU A 12 -3.967 4.191 14.307 1.00 0.56 C ATOM 190 OE1 GLU A 12 -3.416 5.245 14.685 1.00 1.08 O ATOM 191 OE2 GLU A 12 -4.276 3.275 15.096 1.00 1.39 O ATOM 0 H GLU A 12 -4.830 3.084 9.900 1.00 0.30 H new ATOM 0 HA GLU A 12 -7.215 4.084 11.134 1.00 0.33 H new ATOM 0 HB2 GLU A 12 -5.564 5.696 12.523 1.00 0.39 H new ATOM 0 HB3 GLU A 12 -6.368 4.295 13.202 1.00 0.39 H new ATOM 0 HG2 GLU A 12 -4.273 2.959 12.589 1.00 0.43 H new ATOM 0 HG3 GLU A 12 -3.504 4.495 12.244 1.00 0.43 H new ATOM 198 N LEU A 13 -4.587 5.798 10.154 1.00 0.31 N ATOM 199 CA LEU A 13 -4.133 6.900 9.329 1.00 0.32 C ATOM 200 C LEU A 13 -3.938 6.491 7.867 1.00 0.35 C ATOM 201 O LEU A 13 -3.895 7.348 6.986 1.00 0.60 O ATOM 202 CB LEU A 13 -2.834 7.482 9.900 1.00 0.37 C ATOM 203 CG LEU A 13 -1.558 6.646 9.684 1.00 0.43 C ATOM 204 CD1 LEU A 13 -0.324 7.473 10.015 1.00 0.54 C ATOM 205 CD2 LEU A 13 -1.572 5.382 10.533 1.00 0.43 C ATOM 0 H LEU A 13 -3.877 5.430 10.787 1.00 0.31 H new ATOM 0 HA LEU A 13 -4.911 7.663 9.345 1.00 0.32 H new ATOM 0 HB2 LEU A 13 -2.677 8.466 9.458 1.00 0.37 H new ATOM 0 HB3 LEU A 13 -2.968 7.631 10.971 1.00 0.37 H new ATOM 0 HG LEU A 13 -1.528 6.353 8.635 1.00 0.43 H new ATOM 0 HD11 LEU A 13 0.571 6.870 9.858 1.00 0.54 H new ATOM 0 HD12 LEU A 13 -0.289 8.350 9.368 1.00 0.54 H new ATOM 0 HD13 LEU A 13 -0.368 7.792 11.056 1.00 0.54 H new ATOM 0 HD21 LEU A 13 -0.658 4.815 10.357 1.00 0.43 H new ATOM 0 HD22 LEU A 13 -1.634 5.652 11.587 1.00 0.43 H new ATOM 0 HD23 LEU A 13 -2.434 4.772 10.264 1.00 0.43 H new ATOM 217 N GLY A 14 -3.827 5.189 7.603 1.00 0.20 N ATOM 218 CA GLY A 14 -3.654 4.737 6.232 1.00 0.24 C ATOM 219 C GLY A 14 -2.880 3.445 6.110 1.00 0.22 C ATOM 220 O GLY A 14 -3.001 2.763 5.105 1.00 0.34 O ATOM 0 H GLY A 14 -3.853 4.449 8.304 1.00 0.20 H new ATOM 0 HA2 GLY A 14 -4.635 4.607 5.776 1.00 0.24 H new ATOM 0 HA3 GLY A 14 -3.139 5.513 5.665 1.00 0.24 H new ATOM 224 N ARG A 15 -2.096 3.104 7.127 1.00 0.15 N ATOM 225 CA ARG A 15 -1.223 1.932 7.061 1.00 0.17 C ATOM 226 C ARG A 15 -1.976 0.665 6.644 1.00 0.16 C ATOM 227 O ARG A 15 -2.708 0.082 7.432 1.00 0.18 O ATOM 228 CB ARG A 15 -0.528 1.704 8.405 1.00 0.20 C ATOM 229 CG ARG A 15 0.981 1.653 8.299 1.00 0.23 C ATOM 230 CD ARG A 15 1.634 1.433 9.660 1.00 0.29 C ATOM 231 NE ARG A 15 1.748 2.663 10.442 1.00 0.59 N ATOM 232 CZ ARG A 15 1.666 2.707 11.774 1.00 0.78 C ATOM 233 NH1 ARG A 15 1.435 1.600 12.472 1.00 0.82 N ATOM 234 NH2 ARG A 15 1.833 3.860 12.405 1.00 1.26 N ATOM 0 H ARG A 15 -2.045 3.619 8.006 1.00 0.15 H new ATOM 0 HA ARG A 15 -0.476 2.138 6.294 1.00 0.17 H new ATOM 0 HB2 ARG A 15 -0.810 2.502 9.092 1.00 0.20 H new ATOM 0 HB3 ARG A 15 -0.886 0.770 8.837 1.00 0.20 H new ATOM 0 HG2 ARG A 15 1.271 0.850 7.622 1.00 0.23 H new ATOM 0 HG3 ARG A 15 1.347 2.584 7.866 1.00 0.23 H new ATOM 0 HD2 ARG A 15 1.052 0.703 10.223 1.00 0.29 H new ATOM 0 HD3 ARG A 15 2.627 1.006 9.516 1.00 0.29 H new ATOM 0 HE ARG A 15 1.899 3.539 9.941 1.00 0.59 H new ATOM 0 HH11 ARG A 15 1.319 0.708 11.990 1.00 0.82 H new ATOM 0 HH12 ARG A 15 1.374 1.642 13.489 1.00 0.82 H new ATOM 0 HH21 ARG A 15 2.023 4.709 11.873 1.00 1.26 H new ATOM 0 HH22 ARG A 15 1.771 3.898 13.422 1.00 1.26 H new ATOM 248 N VAL A 16 -1.783 0.245 5.399 1.00 0.16 N ATOM 249 CA VAL A 16 -2.432 -0.957 4.883 1.00 0.16 C ATOM 250 C VAL A 16 -1.478 -2.146 4.978 1.00 0.16 C ATOM 251 O VAL A 16 -0.269 -1.997 4.791 1.00 0.15 O ATOM 252 CB VAL A 16 -2.900 -0.770 3.419 1.00 0.17 C ATOM 253 CG1 VAL A 16 -1.721 -0.545 2.484 1.00 1.04 C ATOM 254 CG2 VAL A 16 -3.723 -1.965 2.968 1.00 0.97 C ATOM 0 H VAL A 16 -1.181 0.720 4.726 1.00 0.16 H new ATOM 0 HA VAL A 16 -3.315 -1.148 5.493 1.00 0.16 H new ATOM 0 HB VAL A 16 -3.528 0.120 3.379 1.00 0.17 H new ATOM 0 HG11 VAL A 16 -2.084 -0.417 1.464 1.00 1.04 H new ATOM 0 HG12 VAL A 16 -1.179 0.350 2.791 1.00 1.04 H new ATOM 0 HG13 VAL A 16 -1.054 -1.406 2.526 1.00 1.04 H new ATOM 0 HG21 VAL A 16 -4.044 -1.817 1.937 1.00 0.97 H new ATOM 0 HG22 VAL A 16 -3.118 -2.869 3.034 1.00 0.97 H new ATOM 0 HG23 VAL A 16 -4.598 -2.067 3.609 1.00 0.97 H new ATOM 264 N VAL A 17 -2.018 -3.317 5.286 1.00 0.17 N ATOM 265 CA VAL A 17 -1.201 -4.506 5.501 1.00 0.18 C ATOM 266 C VAL A 17 -0.720 -5.107 4.176 1.00 0.19 C ATOM 267 O VAL A 17 -1.495 -5.716 3.432 1.00 0.25 O ATOM 268 CB VAL A 17 -1.974 -5.582 6.293 1.00 0.21 C ATOM 269 CG1 VAL A 17 -1.091 -6.791 6.572 1.00 0.23 C ATOM 270 CG2 VAL A 17 -2.519 -5.007 7.591 1.00 0.22 C ATOM 0 H VAL A 17 -3.021 -3.470 5.393 1.00 0.17 H new ATOM 0 HA VAL A 17 -0.334 -4.188 6.080 1.00 0.18 H new ATOM 0 HB VAL A 17 -2.816 -5.910 5.683 1.00 0.21 H new ATOM 0 HG11 VAL A 17 -1.659 -7.535 7.131 1.00 0.23 H new ATOM 0 HG12 VAL A 17 -0.757 -7.223 5.629 1.00 0.23 H new ATOM 0 HG13 VAL A 17 -0.224 -6.482 7.156 1.00 0.23 H new ATOM 0 HG21 VAL A 17 -3.060 -5.782 8.133 1.00 0.22 H new ATOM 0 HG22 VAL A 17 -1.693 -4.645 8.203 1.00 0.22 H new ATOM 0 HG23 VAL A 17 -3.195 -4.181 7.368 1.00 0.22 H new ATOM 280 N ILE A 18 0.559 -4.914 3.886 1.00 0.17 N ATOM 281 CA ILE A 18 1.200 -5.530 2.730 1.00 0.21 C ATOM 282 C ILE A 18 1.507 -7.000 3.017 1.00 0.17 C ATOM 283 O ILE A 18 1.975 -7.335 4.105 1.00 0.18 O ATOM 284 CB ILE A 18 2.517 -4.803 2.375 1.00 0.30 C ATOM 285 CG1 ILE A 18 2.251 -3.327 2.072 1.00 0.36 C ATOM 286 CG2 ILE A 18 3.205 -5.469 1.197 1.00 0.39 C ATOM 287 CD1 ILE A 18 1.433 -3.092 0.819 1.00 0.62 C ATOM 0 H ILE A 18 1.181 -4.328 4.443 1.00 0.17 H new ATOM 0 HA ILE A 18 0.512 -5.453 1.888 1.00 0.21 H new ATOM 0 HB ILE A 18 3.181 -4.867 3.237 1.00 0.30 H new ATOM 0 HG12 ILE A 18 1.733 -2.880 2.921 1.00 0.36 H new ATOM 0 HG13 ILE A 18 3.205 -2.810 1.973 1.00 0.36 H new ATOM 0 HG21 ILE A 18 4.129 -4.938 0.968 1.00 0.39 H new ATOM 0 HG22 ILE A 18 3.434 -6.505 1.448 1.00 0.39 H new ATOM 0 HG23 ILE A 18 2.547 -5.443 0.329 1.00 0.39 H new ATOM 0 HD11 ILE A 18 1.288 -2.021 0.674 1.00 0.62 H new ATOM 0 HD12 ILE A 18 1.958 -3.507 -0.041 1.00 0.62 H new ATOM 0 HD13 ILE A 18 0.463 -3.579 0.921 1.00 0.62 H new ATOM 299 N PRO A 19 1.204 -7.896 2.059 1.00 0.22 N ATOM 300 CA PRO A 19 1.535 -9.321 2.161 1.00 0.24 C ATOM 301 C PRO A 19 2.979 -9.573 2.563 1.00 0.23 C ATOM 302 O PRO A 19 3.898 -8.885 2.107 1.00 0.20 O ATOM 303 CB PRO A 19 1.303 -9.832 0.751 1.00 0.28 C ATOM 304 CG PRO A 19 0.231 -8.954 0.217 1.00 0.31 C ATOM 305 CD PRO A 19 0.483 -7.595 0.810 1.00 0.29 C ATOM 0 HA PRO A 19 0.937 -9.812 2.929 1.00 0.24 H new ATOM 0 HB2 PRO A 19 2.209 -9.765 0.149 1.00 0.28 H new ATOM 0 HB3 PRO A 19 0.997 -10.878 0.752 1.00 0.28 H new ATOM 0 HG2 PRO A 19 0.261 -8.917 -0.872 1.00 0.31 H new ATOM 0 HG3 PRO A 19 -0.755 -9.326 0.496 1.00 0.31 H new ATOM 0 HD2 PRO A 19 1.077 -6.970 0.144 1.00 0.29 H new ATOM 0 HD3 PRO A 19 -0.448 -7.061 1.002 1.00 0.29 H new ATOM 313 N ILE A 20 3.178 -10.570 3.413 1.00 0.28 N ATOM 314 CA ILE A 20 4.517 -10.965 3.814 1.00 0.30 C ATOM 315 C ILE A 20 5.324 -11.413 2.599 1.00 0.29 C ATOM 316 O ILE A 20 6.520 -11.157 2.516 1.00 0.28 O ATOM 317 CB ILE A 20 4.498 -12.084 4.879 1.00 0.37 C ATOM 318 CG1 ILE A 20 5.928 -12.531 5.204 1.00 0.43 C ATOM 319 CG2 ILE A 20 3.645 -13.261 4.415 1.00 0.41 C ATOM 320 CD1 ILE A 20 6.009 -13.594 6.274 1.00 0.86 C ATOM 0 H ILE A 20 2.430 -11.118 3.837 1.00 0.28 H new ATOM 0 HA ILE A 20 4.991 -10.092 4.262 1.00 0.30 H new ATOM 0 HB ILE A 20 4.048 -11.689 5.790 1.00 0.37 H new ATOM 0 HG12 ILE A 20 6.396 -12.908 4.295 1.00 0.43 H new ATOM 0 HG13 ILE A 20 6.506 -11.663 5.523 1.00 0.43 H new ATOM 0 HG21 ILE A 20 3.647 -14.036 5.181 1.00 0.41 H new ATOM 0 HG22 ILE A 20 2.623 -12.924 4.242 1.00 0.41 H new ATOM 0 HG23 ILE A 20 4.055 -13.665 3.489 1.00 0.41 H new ATOM 0 HD11 ILE A 20 7.052 -13.857 6.447 1.00 0.86 H new ATOM 0 HD12 ILE A 20 5.572 -13.214 7.198 1.00 0.86 H new ATOM 0 HD13 ILE A 20 5.461 -14.479 5.950 1.00 0.86 H new ATOM 332 N GLU A 21 4.645 -12.020 1.630 1.00 0.32 N ATOM 333 CA GLU A 21 5.300 -12.496 0.418 1.00 0.33 C ATOM 334 C GLU A 21 5.737 -11.307 -0.432 1.00 0.29 C ATOM 335 O GLU A 21 6.705 -11.386 -1.188 1.00 0.29 O ATOM 336 CB GLU A 21 4.350 -13.383 -0.388 1.00 0.39 C ATOM 337 CG GLU A 21 3.229 -12.613 -1.070 1.00 0.50 C ATOM 338 CD GLU A 21 2.361 -13.488 -1.944 1.00 0.99 C ATOM 339 OE1 GLU A 21 2.908 -14.379 -2.621 1.00 1.73 O ATOM 340 OE2 GLU A 21 1.129 -13.276 -1.975 1.00 1.49 O ATOM 0 H GLU A 21 3.640 -12.194 1.662 1.00 0.32 H new ATOM 0 HA GLU A 21 6.174 -13.083 0.700 1.00 0.33 H new ATOM 0 HB2 GLU A 21 4.922 -13.921 -1.144 1.00 0.39 H new ATOM 0 HB3 GLU A 21 3.915 -14.131 0.275 1.00 0.39 H new ATOM 0 HG2 GLU A 21 2.608 -12.137 -0.311 1.00 0.50 H new ATOM 0 HG3 GLU A 21 3.659 -11.816 -1.676 1.00 0.50 H new ATOM 347 N LEU A 22 5.060 -10.183 -0.243 1.00 0.26 N ATOM 348 CA LEU A 22 5.316 -9.016 -1.053 1.00 0.24 C ATOM 349 C LEU A 22 6.518 -8.278 -0.506 1.00 0.21 C ATOM 350 O LEU A 22 7.471 -8.016 -1.234 1.00 0.22 O ATOM 351 CB LEU A 22 4.096 -8.103 -1.104 1.00 0.24 C ATOM 352 CG LEU A 22 2.980 -8.563 -2.041 1.00 0.31 C ATOM 353 CD1 LEU A 22 2.061 -7.402 -2.382 1.00 0.31 C ATOM 354 CD2 LEU A 22 3.553 -9.188 -3.303 1.00 0.44 C ATOM 0 H LEU A 22 4.334 -10.061 0.463 1.00 0.26 H new ATOM 0 HA LEU A 22 5.526 -9.335 -2.074 1.00 0.24 H new ATOM 0 HB2 LEU A 22 3.689 -8.010 -0.097 1.00 0.24 H new ATOM 0 HB3 LEU A 22 4.419 -7.108 -1.410 1.00 0.24 H new ATOM 0 HG LEU A 22 2.395 -9.325 -1.527 1.00 0.31 H new ATOM 0 HD11 LEU A 22 1.272 -7.747 -3.050 1.00 0.31 H new ATOM 0 HD12 LEU A 22 1.616 -7.009 -1.468 1.00 0.31 H new ATOM 0 HD13 LEU A 22 2.635 -6.616 -2.873 1.00 0.31 H new ATOM 0 HD21 LEU A 22 2.738 -9.507 -3.953 1.00 0.44 H new ATOM 0 HD22 LEU A 22 4.168 -8.455 -3.825 1.00 0.44 H new ATOM 0 HD23 LEU A 22 4.164 -10.051 -3.037 1.00 0.44 H new ATOM 366 N ARG A 23 6.516 -8.022 0.801 1.00 0.20 N ATOM 367 CA ARG A 23 7.634 -7.330 1.419 1.00 0.19 C ATOM 368 C ARG A 23 8.873 -8.210 1.307 1.00 0.19 C ATOM 369 O ARG A 23 9.985 -7.722 1.124 1.00 0.20 O ATOM 370 CB ARG A 23 7.348 -6.984 2.889 1.00 0.22 C ATOM 371 CG ARG A 23 6.908 -8.158 3.747 1.00 0.32 C ATOM 372 CD ARG A 23 7.402 -7.994 5.172 1.00 0.63 C ATOM 373 NE ARG A 23 6.613 -8.762 6.133 1.00 0.95 N ATOM 374 CZ ARG A 23 7.134 -9.483 7.130 1.00 1.24 C ATOM 375 NH1 ARG A 23 8.445 -9.651 7.234 1.00 1.52 N ATOM 376 NH2 ARG A 23 6.338 -10.057 8.022 1.00 1.92 N ATOM 0 H ARG A 23 5.764 -8.280 1.440 1.00 0.20 H new ATOM 0 HA ARG A 23 7.796 -6.386 0.898 1.00 0.19 H new ATOM 0 HB2 ARG A 23 8.247 -6.549 3.327 1.00 0.22 H new ATOM 0 HB3 ARG A 23 6.574 -6.217 2.923 1.00 0.22 H new ATOM 0 HG2 ARG A 23 5.821 -8.233 3.740 1.00 0.32 H new ATOM 0 HG3 ARG A 23 7.294 -9.087 3.327 1.00 0.32 H new ATOM 0 HD2 ARG A 23 8.444 -8.308 5.230 1.00 0.63 H new ATOM 0 HD3 ARG A 23 7.372 -6.939 5.444 1.00 0.63 H new ATOM 0 HE ARG A 23 5.598 -8.747 6.036 1.00 0.95 H new ATOM 0 HH11 ARG A 23 9.069 -9.227 6.548 1.00 1.52 H new ATOM 0 HH12 ARG A 23 8.829 -10.204 8.000 1.00 1.52 H new ATOM 0 HH21 ARG A 23 5.327 -9.948 7.948 1.00 1.92 H new ATOM 0 HH22 ARG A 23 6.737 -10.607 8.783 1.00 1.92 H new ATOM 390 N ARG A 24 8.649 -9.521 1.396 1.00 0.21 N ATOM 391 CA ARG A 24 9.679 -10.524 1.156 1.00 0.23 C ATOM 392 C ARG A 24 10.271 -10.379 -0.236 1.00 0.23 C ATOM 393 O ARG A 24 11.490 -10.425 -0.408 1.00 0.23 O ATOM 394 CB ARG A 24 9.074 -11.914 1.352 1.00 0.29 C ATOM 395 CG ARG A 24 9.841 -13.049 0.705 1.00 0.38 C ATOM 396 CD ARG A 24 9.205 -13.448 -0.620 1.00 0.90 C ATOM 397 NE ARG A 24 9.816 -14.646 -1.188 1.00 1.56 N ATOM 398 CZ ARG A 24 9.944 -14.875 -2.492 1.00 2.17 C ATOM 399 NH1 ARG A 24 9.488 -13.999 -3.382 1.00 2.19 N ATOM 400 NH2 ARG A 24 10.520 -15.993 -2.907 1.00 2.94 N ATOM 0 H ARG A 24 7.741 -9.917 1.638 1.00 0.21 H new ATOM 0 HA ARG A 24 10.493 -10.380 1.867 1.00 0.23 H new ATOM 0 HB2 ARG A 24 8.997 -12.112 2.421 1.00 0.29 H new ATOM 0 HB3 ARG A 24 8.059 -11.910 0.955 1.00 0.29 H new ATOM 0 HG2 ARG A 24 10.875 -12.747 0.540 1.00 0.38 H new ATOM 0 HG3 ARG A 24 9.863 -13.908 1.376 1.00 0.38 H new ATOM 0 HD2 ARG A 24 8.139 -13.622 -0.471 1.00 0.90 H new ATOM 0 HD3 ARG A 24 9.298 -12.624 -1.328 1.00 0.90 H new ATOM 0 HE ARG A 24 10.168 -15.354 -0.543 1.00 1.56 H new ATOM 0 HH11 ARG A 24 9.035 -13.141 -3.067 1.00 2.19 H new ATOM 0 HH12 ARG A 24 9.591 -14.185 -4.380 1.00 2.19 H new ATOM 0 HH21 ARG A 24 10.863 -16.673 -2.228 1.00 2.94 H new ATOM 0 HH22 ARG A 24 10.621 -16.174 -3.906 1.00 2.94 H new ATOM 414 N THR A 25 9.406 -10.184 -1.225 1.00 0.24 N ATOM 415 CA THR A 25 9.845 -10.002 -2.603 1.00 0.26 C ATOM 416 C THR A 25 10.690 -8.741 -2.744 1.00 0.23 C ATOM 417 O THR A 25 11.629 -8.686 -3.537 1.00 0.24 O ATOM 418 CB THR A 25 8.640 -9.913 -3.556 1.00 0.29 C ATOM 419 OG1 THR A 25 7.893 -11.136 -3.507 1.00 0.34 O ATOM 420 CG2 THR A 25 9.093 -9.650 -4.981 1.00 0.33 C ATOM 0 H THR A 25 8.395 -10.148 -1.097 1.00 0.24 H new ATOM 0 HA THR A 25 10.449 -10.869 -2.869 1.00 0.26 H new ATOM 0 HB THR A 25 8.010 -9.084 -3.235 1.00 0.29 H new ATOM 0 HG1 THR A 25 7.331 -11.144 -2.704 1.00 0.34 H new ATOM 0 HG21 THR A 25 8.223 -9.592 -5.635 1.00 0.33 H new ATOM 0 HG22 THR A 25 9.641 -8.708 -5.021 1.00 0.33 H new ATOM 0 HG23 THR A 25 9.742 -10.461 -5.312 1.00 0.33 H new ATOM 428 N LEU A 26 10.364 -7.735 -1.950 1.00 0.20 N ATOM 429 CA LEU A 26 11.035 -6.449 -2.043 1.00 0.20 C ATOM 430 C LEU A 26 12.269 -6.442 -1.162 1.00 0.20 C ATOM 431 O LEU A 26 13.122 -5.562 -1.269 1.00 0.22 O ATOM 432 CB LEU A 26 10.096 -5.329 -1.607 1.00 0.20 C ATOM 433 CG LEU A 26 8.619 -5.550 -1.928 1.00 0.21 C ATOM 434 CD1 LEU A 26 7.791 -4.370 -1.461 1.00 0.22 C ATOM 435 CD2 LEU A 26 8.401 -5.829 -3.414 1.00 0.26 C ATOM 0 H LEU A 26 9.639 -7.784 -1.234 1.00 0.20 H new ATOM 0 HA LEU A 26 11.328 -6.287 -3.080 1.00 0.20 H new ATOM 0 HB2 LEU A 26 10.200 -5.189 -0.531 1.00 0.20 H new ATOM 0 HB3 LEU A 26 10.419 -4.402 -2.081 1.00 0.20 H new ATOM 0 HG LEU A 26 8.287 -6.435 -1.385 1.00 0.21 H new ATOM 0 HD11 LEU A 26 6.742 -4.545 -1.698 1.00 0.22 H new ATOM 0 HD12 LEU A 26 7.904 -4.250 -0.384 1.00 0.22 H new ATOM 0 HD13 LEU A 26 8.131 -3.465 -1.965 1.00 0.22 H new ATOM 0 HD21 LEU A 26 7.338 -5.981 -3.604 1.00 0.26 H new ATOM 0 HD22 LEU A 26 8.756 -4.981 -3.999 1.00 0.26 H new ATOM 0 HD23 LEU A 26 8.952 -6.724 -3.701 1.00 0.26 H new ATOM 447 N GLY A 27 12.359 -7.445 -0.300 1.00 0.20 N ATOM 448 CA GLY A 27 13.421 -7.503 0.680 1.00 0.23 C ATOM 449 C GLY A 27 13.271 -6.439 1.750 1.00 0.24 C ATOM 450 O GLY A 27 14.244 -6.059 2.405 1.00 0.28 O ATOM 0 H GLY A 27 11.706 -8.228 -0.264 1.00 0.20 H new ATOM 0 HA2 GLY A 27 13.428 -8.488 1.148 1.00 0.23 H new ATOM 0 HA3 GLY A 27 14.382 -7.380 0.180 1.00 0.23 H new ATOM 454 N ILE A 28 12.049 -5.955 1.927 1.00 0.24 N ATOM 455 CA ILE A 28 11.777 -4.929 2.913 1.00 0.25 C ATOM 456 C ILE A 28 11.006 -5.491 4.094 1.00 0.22 C ATOM 457 O ILE A 28 10.480 -6.606 4.037 1.00 0.22 O ATOM 458 CB ILE A 28 10.947 -3.768 2.337 1.00 0.31 C ATOM 459 CG1 ILE A 28 9.568 -4.266 1.900 1.00 0.32 C ATOM 460 CG2 ILE A 28 11.678 -3.106 1.178 1.00 0.37 C ATOM 461 CD1 ILE A 28 8.522 -3.178 1.903 1.00 0.43 C ATOM 0 H ILE A 28 11.232 -6.260 1.398 1.00 0.24 H new ATOM 0 HA ILE A 28 12.753 -4.561 3.228 1.00 0.25 H new ATOM 0 HB ILE A 28 10.810 -3.020 3.118 1.00 0.31 H new ATOM 0 HG12 ILE A 28 9.641 -4.690 0.898 1.00 0.32 H new ATOM 0 HG13 ILE A 28 9.251 -5.070 2.564 1.00 0.32 H new ATOM 0 HG21 ILE A 28 11.073 -2.288 0.786 1.00 0.37 H new ATOM 0 HG22 ILE A 28 12.634 -2.716 1.526 1.00 0.37 H new ATOM 0 HG23 ILE A 28 11.851 -3.839 0.390 1.00 0.37 H new ATOM 0 HD11 ILE A 28 7.565 -3.592 1.584 1.00 0.43 H new ATOM 0 HD12 ILE A 28 8.424 -2.770 2.909 1.00 0.43 H new ATOM 0 HD13 ILE A 28 8.820 -2.385 1.218 1.00 0.43 H new ATOM 473 N ALA A 29 10.947 -4.693 5.147 1.00 0.22 N ATOM 474 CA ALA A 29 10.165 -4.988 6.334 1.00 0.23 C ATOM 475 C ALA A 29 10.294 -3.856 7.321 1.00 0.23 C ATOM 476 O ALA A 29 11.296 -3.147 7.320 1.00 0.26 O ATOM 477 CB ALA A 29 10.605 -6.294 6.981 1.00 0.25 C ATOM 0 H ALA A 29 11.450 -3.807 5.201 1.00 0.22 H new ATOM 0 HA ALA A 29 9.123 -5.098 6.035 1.00 0.23 H new ATOM 0 HB1 ALA A 29 9.999 -6.484 7.867 1.00 0.25 H new ATOM 0 HB2 ALA A 29 10.478 -7.112 6.272 1.00 0.25 H new ATOM 0 HB3 ALA A 29 11.654 -6.222 7.268 1.00 0.25 H new ATOM 483 N GLU A 30 9.260 -3.699 8.144 1.00 0.25 N ATOM 484 CA GLU A 30 9.238 -2.775 9.274 1.00 0.28 C ATOM 485 C GLU A 30 9.941 -1.431 9.044 1.00 0.30 C ATOM 486 O GLU A 30 9.320 -0.462 8.620 1.00 0.32 O ATOM 487 CB GLU A 30 9.784 -3.480 10.518 1.00 0.32 C ATOM 488 CG GLU A 30 10.928 -4.444 10.236 1.00 0.35 C ATOM 489 CD GLU A 30 11.401 -5.174 11.471 1.00 0.49 C ATOM 490 OE1 GLU A 30 12.232 -4.615 12.212 1.00 1.10 O ATOM 491 OE2 GLU A 30 10.951 -6.314 11.701 1.00 1.22 O ATOM 0 H GLU A 30 8.392 -4.225 8.040 1.00 0.25 H new ATOM 0 HA GLU A 30 8.192 -2.501 9.414 1.00 0.28 H new ATOM 0 HB2 GLU A 30 10.125 -2.727 11.229 1.00 0.32 H new ATOM 0 HB3 GLU A 30 8.972 -4.027 10.998 1.00 0.32 H new ATOM 0 HG2 GLU A 30 10.607 -5.172 9.491 1.00 0.35 H new ATOM 0 HG3 GLU A 30 11.763 -3.892 9.804 1.00 0.35 H new ATOM 498 N LYS A 31 11.225 -1.374 9.337 1.00 0.32 N ATOM 499 CA LYS A 31 11.970 -0.127 9.309 1.00 0.38 C ATOM 500 C LYS A 31 12.410 0.268 7.894 1.00 0.35 C ATOM 501 O LYS A 31 13.159 1.226 7.726 1.00 0.40 O ATOM 502 CB LYS A 31 13.172 -0.227 10.232 1.00 0.47 C ATOM 503 CG LYS A 31 12.823 -0.692 11.637 1.00 0.57 C ATOM 504 CD LYS A 31 11.902 0.299 12.334 1.00 0.67 C ATOM 505 CE LYS A 31 10.454 -0.179 12.345 1.00 0.67 C ATOM 506 NZ LYS A 31 9.577 0.707 13.156 1.00 0.85 N ATOM 0 H LYS A 31 11.782 -2.187 9.601 1.00 0.32 H new ATOM 0 HA LYS A 31 11.302 0.660 9.658 1.00 0.38 H new ATOM 0 HB2 LYS A 31 13.896 -0.917 9.799 1.00 0.47 H new ATOM 0 HB3 LYS A 31 13.657 0.748 10.291 1.00 0.47 H new ATOM 0 HG2 LYS A 31 12.341 -1.669 11.590 1.00 0.57 H new ATOM 0 HG3 LYS A 31 13.736 -0.815 12.219 1.00 0.57 H new ATOM 0 HD2 LYS A 31 12.242 0.451 13.359 1.00 0.67 H new ATOM 0 HD3 LYS A 31 11.961 1.265 11.832 1.00 0.67 H new ATOM 0 HE2 LYS A 31 10.079 -0.221 11.322 1.00 0.67 H new ATOM 0 HE3 LYS A 31 10.411 -1.193 12.742 1.00 0.67 H new ATOM 0 HZ1 LYS A 31 8.603 0.344 13.135 1.00 0.85 H new ATOM 0 HZ2 LYS A 31 9.918 0.728 14.138 1.00 0.85 H new ATOM 0 HZ3 LYS A 31 9.596 1.669 12.762 1.00 0.85 H new ATOM 520 N ASP A 32 11.953 -0.464 6.880 1.00 0.27 N ATOM 521 CA ASP A 32 12.348 -0.176 5.500 1.00 0.24 C ATOM 522 C ASP A 32 11.432 0.859 4.864 1.00 0.22 C ATOM 523 O ASP A 32 10.486 1.338 5.492 1.00 0.23 O ATOM 524 CB ASP A 32 12.381 -1.439 4.639 1.00 0.23 C ATOM 525 CG ASP A 32 13.598 -2.304 4.909 1.00 0.55 C ATOM 526 OD1 ASP A 32 14.737 -1.814 4.745 1.00 0.94 O ATOM 527 OD2 ASP A 32 13.424 -3.477 5.286 1.00 1.54 O ATOM 0 H ASP A 32 11.315 -1.253 6.984 1.00 0.27 H new ATOM 0 HA ASP A 32 13.358 0.231 5.546 1.00 0.24 H new ATOM 0 HB2 ASP A 32 11.479 -2.022 4.823 1.00 0.23 H new ATOM 0 HB3 ASP A 32 12.369 -1.156 3.586 1.00 0.23 H new ATOM 532 N ALA A 33 11.737 1.220 3.622 1.00 0.21 N ATOM 533 CA ALA A 33 10.990 2.256 2.924 1.00 0.20 C ATOM 534 C ALA A 33 10.359 1.769 1.619 1.00 0.20 C ATOM 535 O ALA A 33 10.903 0.910 0.921 1.00 0.21 O ATOM 536 CB ALA A 33 11.910 3.429 2.646 1.00 0.23 C ATOM 0 H ALA A 33 12.497 0.809 3.079 1.00 0.21 H new ATOM 0 HA ALA A 33 10.167 2.555 3.573 1.00 0.20 H new ATOM 0 HB1 ALA A 33 11.357 4.209 2.123 1.00 0.23 H new ATOM 0 HB2 ALA A 33 12.291 3.824 3.588 1.00 0.23 H new ATOM 0 HB3 ALA A 33 12.744 3.098 2.027 1.00 0.23 H new ATOM 542 N LEU A 34 9.199 2.337 1.310 1.00 0.20 N ATOM 543 CA LEU A 34 8.520 2.117 0.039 1.00 0.20 C ATOM 544 C LEU A 34 8.278 3.468 -0.618 1.00 0.20 C ATOM 545 O LEU A 34 8.222 4.491 0.061 1.00 0.22 O ATOM 546 CB LEU A 34 7.167 1.413 0.229 1.00 0.23 C ATOM 547 CG LEU A 34 7.205 0.029 0.882 1.00 0.46 C ATOM 548 CD1 LEU A 34 7.321 0.149 2.394 1.00 1.15 C ATOM 549 CD2 LEU A 34 5.967 -0.768 0.504 1.00 0.67 C ATOM 0 H LEU A 34 8.700 2.967 1.938 1.00 0.20 H new ATOM 0 HA LEU A 34 9.150 1.479 -0.580 1.00 0.20 H new ATOM 0 HB2 LEU A 34 6.528 2.058 0.832 1.00 0.23 H new ATOM 0 HB3 LEU A 34 6.692 1.317 -0.747 1.00 0.23 H new ATOM 0 HG LEU A 34 8.085 -0.500 0.515 1.00 0.46 H new ATOM 0 HD11 LEU A 34 7.346 -0.847 2.837 1.00 1.15 H new ATOM 0 HD12 LEU A 34 8.237 0.682 2.647 1.00 1.15 H new ATOM 0 HD13 LEU A 34 6.463 0.697 2.782 1.00 1.15 H new ATOM 0 HD21 LEU A 34 6.008 -1.750 0.976 1.00 0.67 H new ATOM 0 HD22 LEU A 34 5.076 -0.239 0.844 1.00 0.67 H new ATOM 0 HD23 LEU A 34 5.928 -0.887 -0.579 1.00 0.67 H new ATOM 561 N GLU A 35 8.128 3.465 -1.923 1.00 0.19 N ATOM 562 CA GLU A 35 7.823 4.671 -2.669 1.00 0.21 C ATOM 563 C GLU A 35 6.366 4.646 -3.105 1.00 0.20 C ATOM 564 O GLU A 35 5.981 3.873 -3.984 1.00 0.21 O ATOM 565 CB GLU A 35 8.733 4.813 -3.890 1.00 0.25 C ATOM 566 CG GLU A 35 10.179 5.103 -3.533 1.00 0.59 C ATOM 567 CD GLU A 35 10.998 5.539 -4.729 1.00 0.56 C ATOM 568 OE1 GLU A 35 11.487 4.667 -5.476 1.00 1.28 O ATOM 569 OE2 GLU A 35 11.151 6.763 -4.932 1.00 1.19 O ATOM 0 H GLU A 35 8.213 2.628 -2.500 1.00 0.19 H new ATOM 0 HA GLU A 35 7.997 5.529 -2.020 1.00 0.21 H new ATOM 0 HB2 GLU A 35 8.688 3.895 -4.476 1.00 0.25 H new ATOM 0 HB3 GLU A 35 8.355 5.615 -4.524 1.00 0.25 H new ATOM 0 HG2 GLU A 35 10.212 5.882 -2.771 1.00 0.59 H new ATOM 0 HG3 GLU A 35 10.627 4.211 -3.096 1.00 0.59 H new ATOM 576 N ILE A 36 5.563 5.474 -2.469 1.00 0.21 N ATOM 577 CA ILE A 36 4.133 5.502 -2.714 1.00 0.23 C ATOM 578 C ILE A 36 3.795 6.494 -3.825 1.00 0.25 C ATOM 579 O ILE A 36 4.090 7.687 -3.737 1.00 0.27 O ATOM 580 CB ILE A 36 3.354 5.867 -1.423 1.00 0.26 C ATOM 581 CG1 ILE A 36 3.295 4.684 -0.450 1.00 0.25 C ATOM 582 CG2 ILE A 36 1.945 6.346 -1.746 1.00 0.29 C ATOM 583 CD1 ILE A 36 4.642 4.272 0.094 1.00 0.25 C ATOM 0 H ILE A 36 5.880 6.145 -1.770 1.00 0.21 H new ATOM 0 HA ILE A 36 3.831 4.503 -3.030 1.00 0.23 H new ATOM 0 HB ILE A 36 3.896 6.681 -0.942 1.00 0.26 H new ATOM 0 HG12 ILE A 36 2.642 4.943 0.383 1.00 0.25 H new ATOM 0 HG13 ILE A 36 2.842 3.832 -0.957 1.00 0.25 H new ATOM 0 HG21 ILE A 36 1.424 6.594 -0.821 1.00 0.29 H new ATOM 0 HG22 ILE A 36 1.998 7.230 -2.381 1.00 0.29 H new ATOM 0 HG23 ILE A 36 1.403 5.557 -2.267 1.00 0.29 H new ATOM 0 HD11 ILE A 36 4.517 3.430 0.774 1.00 0.25 H new ATOM 0 HD12 ILE A 36 5.293 3.980 -0.730 1.00 0.25 H new ATOM 0 HD13 ILE A 36 5.089 5.109 0.631 1.00 0.25 H new ATOM 595 N TYR A 37 3.188 5.975 -4.871 1.00 0.25 N ATOM 596 CA TYR A 37 2.751 6.757 -6.008 1.00 0.24 C ATOM 597 C TYR A 37 1.253 6.549 -6.208 1.00 0.19 C ATOM 598 O TYR A 37 0.696 5.559 -5.735 1.00 0.22 O ATOM 599 CB TYR A 37 3.587 6.360 -7.238 1.00 0.31 C ATOM 600 CG TYR A 37 2.918 6.488 -8.593 1.00 1.10 C ATOM 601 CD1 TYR A 37 2.999 7.665 -9.320 1.00 1.91 C ATOM 602 CD2 TYR A 37 2.243 5.415 -9.162 1.00 2.03 C ATOM 603 CE1 TYR A 37 2.424 7.774 -10.572 1.00 2.86 C ATOM 604 CE2 TYR A 37 1.659 5.518 -10.410 1.00 2.97 C ATOM 605 CZ TYR A 37 1.756 6.699 -11.112 1.00 3.23 C ATOM 606 OH TYR A 37 1.190 6.801 -12.362 1.00 4.30 O ATOM 0 H TYR A 37 2.981 4.980 -4.957 1.00 0.25 H new ATOM 0 HA TYR A 37 2.907 7.823 -5.843 1.00 0.24 H new ATOM 0 HB2 TYR A 37 4.490 6.971 -7.246 1.00 0.31 H new ATOM 0 HB3 TYR A 37 3.904 5.325 -7.113 1.00 0.31 H new ATOM 0 HD1 TYR A 37 3.521 8.512 -8.901 1.00 1.91 H new ATOM 0 HD2 TYR A 37 2.174 4.484 -8.619 1.00 2.03 H new ATOM 0 HE1 TYR A 37 2.499 8.699 -11.124 1.00 2.86 H new ATOM 0 HE2 TYR A 37 1.129 4.677 -10.833 1.00 2.97 H new ATOM 0 HH TYR A 37 0.758 5.953 -12.595 1.00 4.30 H new ATOM 616 N VAL A 38 0.600 7.480 -6.879 1.00 0.21 N ATOM 617 CA VAL A 38 -0.845 7.412 -7.021 1.00 0.19 C ATOM 618 C VAL A 38 -1.235 7.180 -8.476 1.00 0.20 C ATOM 619 O VAL A 38 -0.643 7.762 -9.387 1.00 0.25 O ATOM 620 CB VAL A 38 -1.542 8.673 -6.468 1.00 0.21 C ATOM 621 CG1 VAL A 38 -1.236 9.904 -7.309 1.00 0.26 C ATOM 622 CG2 VAL A 38 -3.038 8.425 -6.377 1.00 0.18 C ATOM 0 H VAL A 38 1.039 8.283 -7.329 1.00 0.21 H new ATOM 0 HA VAL A 38 -1.186 6.564 -6.427 1.00 0.19 H new ATOM 0 HB VAL A 38 -1.153 8.874 -5.470 1.00 0.21 H new ATOM 0 HG11 VAL A 38 -1.746 10.770 -6.886 1.00 0.26 H new ATOM 0 HG12 VAL A 38 -0.161 10.083 -7.315 1.00 0.26 H new ATOM 0 HG13 VAL A 38 -1.582 9.742 -8.330 1.00 0.26 H new ATOM 0 HG21 VAL A 38 -3.531 9.315 -5.986 1.00 0.18 H new ATOM 0 HG22 VAL A 38 -3.430 8.198 -7.368 1.00 0.18 H new ATOM 0 HG23 VAL A 38 -3.227 7.583 -5.711 1.00 0.18 H new ATOM 632 N ASP A 39 -2.212 6.305 -8.692 1.00 0.20 N ATOM 633 CA ASP A 39 -2.648 5.980 -10.042 1.00 0.24 C ATOM 634 C ASP A 39 -4.164 6.060 -10.156 1.00 0.26 C ATOM 635 O ASP A 39 -4.866 5.056 -10.017 1.00 0.30 O ATOM 636 CB ASP A 39 -2.149 4.590 -10.446 1.00 0.27 C ATOM 637 CG ASP A 39 -2.336 4.315 -11.922 1.00 0.40 C ATOM 638 OD1 ASP A 39 -1.648 4.960 -12.740 1.00 1.07 O ATOM 639 OD2 ASP A 39 -3.151 3.437 -12.275 1.00 1.15 O ATOM 0 H ASP A 39 -2.713 5.812 -7.953 1.00 0.20 H new ATOM 0 HA ASP A 39 -2.218 6.713 -10.725 1.00 0.24 H new ATOM 0 HB2 ASP A 39 -1.093 4.499 -10.194 1.00 0.27 H new ATOM 0 HB3 ASP A 39 -2.681 3.834 -9.868 1.00 0.27 H new ATOM 644 N ASP A 40 -4.644 7.283 -10.362 1.00 0.32 N ATOM 645 CA ASP A 40 -6.069 7.586 -10.540 1.00 0.39 C ATOM 646 C ASP A 40 -6.879 7.254 -9.292 1.00 0.34 C ATOM 647 O ASP A 40 -7.157 8.126 -8.468 1.00 0.41 O ATOM 648 CB ASP A 40 -6.661 6.847 -11.744 1.00 0.54 C ATOM 649 CG ASP A 40 -7.889 7.546 -12.288 1.00 0.97 C ATOM 650 OD1 ASP A 40 -7.730 8.589 -12.958 1.00 1.83 O ATOM 651 OD2 ASP A 40 -9.016 7.059 -12.065 1.00 1.41 O ATOM 0 H ASP A 40 -4.047 8.109 -10.412 1.00 0.32 H new ATOM 0 HA ASP A 40 -6.132 8.659 -10.722 1.00 0.39 H new ATOM 0 HB2 ASP A 40 -5.909 6.771 -12.529 1.00 0.54 H new ATOM 0 HB3 ASP A 40 -6.922 5.829 -11.453 1.00 0.54 H new ATOM 656 N GLU A 41 -7.251 5.988 -9.160 1.00 0.38 N ATOM 657 CA GLU A 41 -8.050 5.536 -8.034 1.00 0.49 C ATOM 658 C GLU A 41 -7.412 4.329 -7.352 1.00 0.42 C ATOM 659 O GLU A 41 -8.019 3.698 -6.482 1.00 0.64 O ATOM 660 CB GLU A 41 -9.486 5.237 -8.487 1.00 0.71 C ATOM 661 CG GLU A 41 -9.591 4.502 -9.819 1.00 1.19 C ATOM 662 CD GLU A 41 -9.706 2.995 -9.673 1.00 1.86 C ATOM 663 OE1 GLU A 41 -10.612 2.525 -8.945 1.00 2.28 O ATOM 664 OE2 GLU A 41 -8.918 2.273 -10.313 1.00 2.54 O ATOM 0 H GLU A 41 -7.009 5.253 -9.825 1.00 0.38 H new ATOM 0 HA GLU A 41 -8.089 6.336 -7.295 1.00 0.49 H new ATOM 0 HB2 GLU A 41 -9.979 4.642 -7.719 1.00 0.71 H new ATOM 0 HB3 GLU A 41 -10.033 6.177 -8.562 1.00 0.71 H new ATOM 0 HG2 GLU A 41 -10.460 4.874 -10.362 1.00 1.19 H new ATOM 0 HG3 GLU A 41 -8.714 4.734 -10.423 1.00 1.19 H new ATOM 671 N LYS A 42 -6.179 4.015 -7.741 1.00 0.26 N ATOM 672 CA LYS A 42 -5.417 2.964 -7.082 1.00 0.26 C ATOM 673 C LYS A 42 -4.151 3.544 -6.474 1.00 0.18 C ATOM 674 O LYS A 42 -3.681 4.608 -6.887 1.00 0.18 O ATOM 675 CB LYS A 42 -5.023 1.855 -8.054 1.00 0.39 C ATOM 676 CG LYS A 42 -6.122 1.437 -9.010 1.00 0.78 C ATOM 677 CD LYS A 42 -5.658 1.557 -10.452 1.00 0.87 C ATOM 678 CE LYS A 42 -4.441 0.688 -10.732 1.00 0.55 C ATOM 679 NZ LYS A 42 -3.909 0.920 -12.099 1.00 0.81 N ATOM 0 H LYS A 42 -5.689 4.474 -8.509 1.00 0.26 H new ATOM 0 HA LYS A 42 -6.056 2.540 -6.307 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -4.161 2.186 -8.634 1.00 0.39 H new ATOM 0 HB3 LYS A 42 -4.706 0.983 -7.482 1.00 0.39 H new ATOM 0 HG2 LYS A 42 -6.418 0.409 -8.803 1.00 0.78 H new ATOM 0 HG3 LYS A 42 -7.003 2.060 -8.854 1.00 0.78 H new ATOM 0 HD2 LYS A 42 -6.470 1.270 -11.120 1.00 0.87 H new ATOM 0 HD3 LYS A 42 -5.419 2.598 -10.671 1.00 0.87 H new ATOM 0 HE2 LYS A 42 -3.664 0.900 -9.997 1.00 0.55 H new ATOM 0 HE3 LYS A 42 -4.709 -0.362 -10.618 1.00 0.55 H new ATOM 0 HZ1 LYS A 42 -3.269 0.143 -12.359 1.00 0.81 H new ATOM 0 HZ2 LYS A 42 -4.697 0.960 -12.776 1.00 0.81 H new ATOM 0 HZ3 LYS A 42 -3.388 1.820 -12.121 1.00 0.81 H new ATOM 693 N ILE A 43 -3.596 2.844 -5.502 1.00 0.16 N ATOM 694 CA ILE A 43 -2.358 3.266 -4.873 1.00 0.15 C ATOM 695 C ILE A 43 -1.230 2.319 -5.262 1.00 0.16 C ATOM 696 O ILE A 43 -1.421 1.102 -5.306 1.00 0.21 O ATOM 697 CB ILE A 43 -2.495 3.296 -3.344 1.00 0.21 C ATOM 698 CG1 ILE A 43 -3.792 3.996 -2.943 1.00 0.27 C ATOM 699 CG2 ILE A 43 -1.294 4.003 -2.735 1.00 0.26 C ATOM 700 CD1 ILE A 43 -4.199 3.740 -1.511 1.00 0.34 C ATOM 0 H ILE A 43 -3.985 1.977 -5.130 1.00 0.16 H new ATOM 0 HA ILE A 43 -2.130 4.274 -5.220 1.00 0.15 H new ATOM 0 HB ILE A 43 -2.529 2.274 -2.967 1.00 0.21 H new ATOM 0 HG12 ILE A 43 -3.677 5.070 -3.093 1.00 0.27 H new ATOM 0 HG13 ILE A 43 -4.593 3.666 -3.604 1.00 0.27 H new ATOM 0 HG21 ILE A 43 -1.395 4.022 -1.650 1.00 0.26 H new ATOM 0 HG22 ILE A 43 -0.382 3.470 -3.005 1.00 0.26 H new ATOM 0 HG23 ILE A 43 -1.243 5.024 -3.113 1.00 0.26 H new ATOM 0 HD11 ILE A 43 -5.128 4.268 -1.297 1.00 0.34 H new ATOM 0 HD12 ILE A 43 -4.346 2.671 -1.360 1.00 0.34 H new ATOM 0 HD13 ILE A 43 -3.416 4.096 -0.841 1.00 0.34 H new ATOM 712 N ILE A 44 -0.064 2.877 -5.548 1.00 0.14 N ATOM 713 CA ILE A 44 1.069 2.092 -6.026 1.00 0.16 C ATOM 714 C ILE A 44 2.266 2.280 -5.106 1.00 0.17 C ATOM 715 O ILE A 44 2.792 3.377 -5.006 1.00 0.20 O ATOM 716 CB ILE A 44 1.492 2.523 -7.450 1.00 0.16 C ATOM 717 CG1 ILE A 44 0.271 2.774 -8.347 1.00 0.17 C ATOM 718 CG2 ILE A 44 2.407 1.474 -8.072 1.00 0.19 C ATOM 719 CD1 ILE A 44 -0.613 1.567 -8.556 1.00 0.18 C ATOM 0 H ILE A 44 0.125 3.875 -5.458 1.00 0.14 H new ATOM 0 HA ILE A 44 0.754 1.049 -6.039 1.00 0.16 H new ATOM 0 HB ILE A 44 2.039 3.462 -7.367 1.00 0.16 H new ATOM 0 HG12 ILE A 44 -0.326 3.574 -7.910 1.00 0.17 H new ATOM 0 HG13 ILE A 44 0.616 3.128 -9.318 1.00 0.17 H new ATOM 0 HG21 ILE A 44 2.696 1.791 -9.074 1.00 0.19 H new ATOM 0 HG22 ILE A 44 3.299 1.358 -7.456 1.00 0.19 H new ATOM 0 HG23 ILE A 44 1.881 0.521 -8.131 1.00 0.19 H new ATOM 0 HD11 ILE A 44 -1.449 1.836 -9.201 1.00 0.18 H new ATOM 0 HD12 ILE A 44 -0.036 0.770 -9.024 1.00 0.18 H new ATOM 0 HD13 ILE A 44 -0.993 1.223 -7.594 1.00 0.18 H new ATOM 731 N LEU A 45 2.708 1.233 -4.432 1.00 0.18 N ATOM 732 CA LEU A 45 3.905 1.353 -3.605 1.00 0.18 C ATOM 733 C LEU A 45 4.998 0.483 -4.187 1.00 0.20 C ATOM 734 O LEU A 45 4.859 -0.737 -4.274 1.00 0.33 O ATOM 735 CB LEU A 45 3.716 0.970 -2.119 1.00 0.36 C ATOM 736 CG LEU A 45 2.293 0.817 -1.574 1.00 0.32 C ATOM 737 CD1 LEU A 45 1.477 2.076 -1.796 1.00 1.30 C ATOM 738 CD2 LEU A 45 1.619 -0.399 -2.177 1.00 1.10 C ATOM 0 H LEU A 45 2.272 0.311 -4.436 1.00 0.18 H new ATOM 0 HA LEU A 45 4.162 2.412 -3.617 1.00 0.18 H new ATOM 0 HB2 LEU A 45 4.237 0.027 -1.952 1.00 0.36 H new ATOM 0 HB3 LEU A 45 4.221 1.725 -1.516 1.00 0.36 H new ATOM 0 HG LEU A 45 2.357 0.664 -0.497 1.00 0.32 H new ATOM 0 HD11 LEU A 45 0.472 1.933 -1.398 1.00 1.30 H new ATOM 0 HD12 LEU A 45 1.954 2.913 -1.287 1.00 1.30 H new ATOM 0 HD13 LEU A 45 1.417 2.287 -2.864 1.00 1.30 H new ATOM 0 HD21 LEU A 45 0.609 -0.491 -1.777 1.00 1.10 H new ATOM 0 HD22 LEU A 45 1.572 -0.289 -3.260 1.00 1.10 H new ATOM 0 HD23 LEU A 45 2.190 -1.293 -1.927 1.00 1.10 H new ATOM 750 N LYS A 46 6.069 1.114 -4.603 1.00 0.19 N ATOM 751 CA LYS A 46 7.219 0.405 -5.111 1.00 0.29 C ATOM 752 C LYS A 46 8.339 0.484 -4.091 1.00 0.32 C ATOM 753 O LYS A 46 8.675 1.569 -3.642 1.00 0.54 O ATOM 754 CB LYS A 46 7.669 1.014 -6.436 1.00 0.38 C ATOM 755 CG LYS A 46 8.897 0.355 -7.031 1.00 0.85 C ATOM 756 CD LYS A 46 9.397 1.140 -8.224 1.00 1.00 C ATOM 757 CE LYS A 46 9.993 2.464 -7.783 1.00 1.15 C ATOM 758 NZ LYS A 46 10.459 3.283 -8.931 1.00 1.41 N ATOM 0 H LYS A 46 6.168 2.129 -4.599 1.00 0.19 H new ATOM 0 HA LYS A 46 6.957 -0.639 -5.284 1.00 0.29 H new ATOM 0 HB2 LYS A 46 6.850 0.946 -7.152 1.00 0.38 H new ATOM 0 HB3 LYS A 46 7.875 2.074 -6.286 1.00 0.38 H new ATOM 0 HG2 LYS A 46 9.682 0.289 -6.278 1.00 0.85 H new ATOM 0 HG3 LYS A 46 8.659 -0.665 -7.334 1.00 0.85 H new ATOM 0 HD2 LYS A 46 10.147 0.558 -8.760 1.00 1.00 H new ATOM 0 HD3 LYS A 46 8.576 1.318 -8.918 1.00 1.00 H new ATOM 0 HE2 LYS A 46 9.248 3.025 -7.218 1.00 1.15 H new ATOM 0 HE3 LYS A 46 10.830 2.277 -7.110 1.00 1.15 H new ATOM 0 HZ1 LYS A 46 10.858 4.177 -8.580 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 11.189 2.761 -9.456 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 9.657 3.485 -9.561 1.00 1.41 H new ATOM 772 N LYS A 47 8.887 -0.662 -3.710 1.00 0.27 N ATOM 773 CA LYS A 47 10.006 -0.716 -2.767 1.00 0.28 C ATOM 774 C LYS A 47 11.065 0.328 -3.109 1.00 0.29 C ATOM 775 O LYS A 47 11.362 0.557 -4.283 1.00 0.34 O ATOM 776 CB LYS A 47 10.647 -2.106 -2.825 1.00 0.39 C ATOM 777 CG LYS A 47 11.111 -2.479 -4.231 1.00 1.26 C ATOM 778 CD LYS A 47 11.883 -3.785 -4.264 1.00 1.27 C ATOM 779 CE LYS A 47 12.300 -4.123 -5.686 1.00 2.37 C ATOM 780 NZ LYS A 47 13.121 -5.359 -5.759 1.00 2.68 N ATOM 0 H LYS A 47 8.575 -1.575 -4.040 1.00 0.27 H new ATOM 0 HA LYS A 47 9.622 -0.510 -1.768 1.00 0.28 H new ATOM 0 HB2 LYS A 47 11.498 -2.139 -2.145 1.00 0.39 H new ATOM 0 HB3 LYS A 47 9.930 -2.848 -2.474 1.00 0.39 H new ATOM 0 HG2 LYS A 47 10.244 -2.557 -4.887 1.00 1.26 H new ATOM 0 HG3 LYS A 47 11.739 -1.680 -4.626 1.00 1.26 H new ATOM 0 HD2 LYS A 47 12.765 -3.708 -3.629 1.00 1.27 H new ATOM 0 HD3 LYS A 47 11.267 -4.588 -3.859 1.00 1.27 H new ATOM 0 HE2 LYS A 47 11.410 -4.245 -6.303 1.00 2.37 H new ATOM 0 HE3 LYS A 47 12.865 -3.290 -6.103 1.00 2.37 H new ATOM 0 HZ1 LYS A 47 13.380 -5.546 -6.749 1.00 2.68 H new ATOM 0 HZ2 LYS A 47 13.985 -5.236 -5.193 1.00 2.68 H new ATOM 0 HZ3 LYS A 47 12.574 -6.161 -5.387 1.00 2.68 H new ATOM 794 N TYR A 48 11.619 0.973 -2.091 1.00 0.32 N ATOM 795 CA TYR A 48 12.733 1.871 -2.308 1.00 0.41 C ATOM 796 C TYR A 48 13.892 1.078 -2.901 1.00 0.53 C ATOM 797 O TYR A 48 14.148 -0.053 -2.484 1.00 0.60 O ATOM 798 CB TYR A 48 13.160 2.543 -0.997 1.00 0.48 C ATOM 799 CG TYR A 48 14.420 3.370 -1.136 1.00 1.10 C ATOM 800 CD1 TYR A 48 14.455 4.480 -1.971 1.00 2.02 C ATOM 801 CD2 TYR A 48 15.580 3.024 -0.454 1.00 1.68 C ATOM 802 CE1 TYR A 48 15.610 5.225 -2.118 1.00 2.71 C ATOM 803 CE2 TYR A 48 16.740 3.761 -0.600 1.00 2.40 C ATOM 804 CZ TYR A 48 16.750 4.860 -1.432 1.00 2.72 C ATOM 805 OH TYR A 48 17.908 5.589 -1.590 1.00 3.55 O ATOM 0 H TYR A 48 11.316 0.890 -1.120 1.00 0.32 H new ATOM 0 HA TYR A 48 12.431 2.659 -2.998 1.00 0.41 H new ATOM 0 HB2 TYR A 48 12.351 3.182 -0.643 1.00 0.48 H new ATOM 0 HB3 TYR A 48 13.317 1.777 -0.238 1.00 0.48 H new ATOM 0 HD1 TYR A 48 13.566 4.765 -2.514 1.00 2.02 H new ATOM 0 HD2 TYR A 48 15.575 2.165 0.201 1.00 1.68 H new ATOM 0 HE1 TYR A 48 15.620 6.088 -2.767 1.00 2.71 H new ATOM 0 HE2 TYR A 48 17.634 3.477 -0.065 1.00 2.40 H new ATOM 0 HH TYR A 48 18.617 5.201 -1.036 1.00 3.55 H new ATOM 815 N LYS A 49 14.566 1.659 -3.882 1.00 0.69 N ATOM 816 CA LYS A 49 15.649 0.980 -4.573 1.00 0.87 C ATOM 817 C LYS A 49 16.837 0.778 -3.631 1.00 0.87 C ATOM 818 O LYS A 49 17.500 1.742 -3.240 1.00 0.91 O ATOM 819 CB LYS A 49 16.058 1.806 -5.795 1.00 1.08 C ATOM 820 CG LYS A 49 16.858 1.032 -6.835 1.00 1.42 C ATOM 821 CD LYS A 49 16.059 -0.110 -7.438 1.00 1.63 C ATOM 822 CE LYS A 49 14.969 0.399 -8.365 1.00 2.44 C ATOM 823 NZ LYS A 49 14.168 -0.715 -8.935 1.00 3.38 N ATOM 0 H LYS A 49 14.380 2.604 -4.218 1.00 0.69 H new ATOM 0 HA LYS A 49 15.313 -0.003 -4.902 1.00 0.87 H new ATOM 0 HB2 LYS A 49 15.160 2.204 -6.267 1.00 1.08 H new ATOM 0 HB3 LYS A 49 16.648 2.660 -5.461 1.00 1.08 H new ATOM 0 HG2 LYS A 49 17.174 1.711 -7.627 1.00 1.42 H new ATOM 0 HG3 LYS A 49 17.763 0.637 -6.374 1.00 1.42 H new ATOM 0 HD2 LYS A 49 16.727 -0.771 -7.990 1.00 1.63 H new ATOM 0 HD3 LYS A 49 15.612 -0.703 -6.640 1.00 1.63 H new ATOM 0 HE2 LYS A 49 14.313 1.076 -7.818 1.00 2.44 H new ATOM 0 HE3 LYS A 49 15.419 0.975 -9.174 1.00 2.44 H new ATOM 0 HZ1 LYS A 49 13.434 -0.329 -9.563 1.00 3.38 H new ATOM 0 HZ2 LYS A 49 14.790 -1.348 -9.478 1.00 3.38 H new ATOM 0 HZ3 LYS A 49 13.719 -1.249 -8.164 1.00 3.38 H new ATOM 837 N PRO A 50 17.113 -0.485 -3.243 1.00 0.95 N ATOM 838 CA PRO A 50 18.158 -0.800 -2.261 1.00 1.05 C ATOM 839 C PRO A 50 19.554 -0.468 -2.772 1.00 1.14 C ATOM 840 O PRO A 50 20.399 0.027 -2.026 1.00 1.58 O ATOM 841 CB PRO A 50 18.006 -2.308 -2.032 1.00 1.21 C ATOM 842 CG PRO A 50 17.311 -2.817 -3.248 1.00 1.23 C ATOM 843 CD PRO A 50 16.427 -1.699 -3.726 1.00 1.05 C ATOM 0 HA PRO A 50 18.045 -0.212 -1.350 1.00 1.05 H new ATOM 0 HB2 PRO A 50 18.977 -2.787 -1.903 1.00 1.21 H new ATOM 0 HB3 PRO A 50 17.427 -2.514 -1.132 1.00 1.21 H new ATOM 0 HG2 PRO A 50 18.030 -3.101 -4.017 1.00 1.23 H new ATOM 0 HG3 PRO A 50 16.724 -3.706 -3.017 1.00 1.23 H new ATOM 0 HD2 PRO A 50 16.331 -1.700 -4.812 1.00 1.05 H new ATOM 0 HD3 PRO A 50 15.420 -1.781 -3.316 1.00 1.05 H new ATOM 851 N ASN A 51 19.798 -0.752 -4.041 1.00 1.52 N ATOM 852 CA ASN A 51 21.041 -0.372 -4.678 1.00 1.67 C ATOM 853 C ASN A 51 20.842 0.956 -5.390 1.00 2.02 C ATOM 854 O ASN A 51 19.774 1.213 -5.941 1.00 2.86 O ATOM 855 CB ASN A 51 21.478 -1.444 -5.680 1.00 2.69 C ATOM 856 CG ASN A 51 22.790 -1.105 -6.366 1.00 3.09 C ATOM 857 OD1 ASN A 51 23.669 -0.472 -5.777 1.00 3.18 O ATOM 858 ND2 ASN A 51 22.930 -1.518 -7.616 1.00 3.85 N ATOM 0 H ASN A 51 19.146 -1.247 -4.650 1.00 1.52 H new ATOM 0 HA ASN A 51 21.820 -0.274 -3.922 1.00 1.67 H new ATOM 0 HB2 ASN A 51 21.579 -2.399 -5.164 1.00 2.69 H new ATOM 0 HB3 ASN A 51 20.701 -1.570 -6.434 1.00 2.69 H new ATOM 0 HD21 ASN A 51 23.789 -1.315 -8.127 1.00 3.85 H new ATOM 0 HD22 ASN A 51 22.179 -2.039 -8.068 1.00 3.85 H new ATOM 865 N MET A 52 21.864 1.786 -5.384 1.00 2.01 N ATOM 866 CA MET A 52 21.779 3.096 -6.008 1.00 2.96 C ATOM 867 C MET A 52 21.966 2.975 -7.513 1.00 3.31 C ATOM 868 O MET A 52 22.691 2.102 -7.994 1.00 2.98 O ATOM 869 CB MET A 52 22.850 4.027 -5.433 1.00 3.49 C ATOM 870 CG MET A 52 24.264 3.473 -5.551 1.00 3.67 C ATOM 871 SD MET A 52 25.531 4.661 -5.068 1.00 4.31 S ATOM 872 CE MET A 52 25.380 5.865 -6.386 1.00 5.00 C ATOM 0 H MET A 52 22.766 1.579 -4.954 1.00 2.01 H new ATOM 0 HA MET A 52 20.793 3.513 -5.802 1.00 2.96 H new ATOM 0 HB2 MET A 52 22.800 4.987 -5.948 1.00 3.49 H new ATOM 0 HB3 MET A 52 22.629 4.217 -4.383 1.00 3.49 H new ATOM 0 HG2 MET A 52 24.352 2.583 -4.928 1.00 3.67 H new ATOM 0 HG3 MET A 52 24.441 3.160 -6.580 1.00 3.67 H new ATOM 0 HE1 MET A 52 26.293 6.457 -6.444 1.00 5.00 H new ATOM 0 HE2 MET A 52 25.220 5.350 -7.333 1.00 5.00 H new ATOM 0 HE3 MET A 52 24.534 6.522 -6.184 1.00 5.00 H new ATOM 882 N THR A 53 21.300 3.842 -8.247 1.00 4.16 N ATOM 883 CA THR A 53 21.396 3.859 -9.692 1.00 4.70 C ATOM 884 C THR A 53 21.287 5.304 -10.174 1.00 5.62 C ATOM 885 O THR A 53 20.633 6.110 -9.473 1.00 6.13 O ATOM 886 CB THR A 53 20.297 2.973 -10.334 1.00 5.14 C ATOM 887 OG1 THR A 53 20.556 2.772 -11.729 1.00 5.71 O ATOM 888 CG2 THR A 53 18.913 3.584 -10.158 1.00 5.45 C ATOM 889 OXT THR A 53 21.885 5.645 -11.216 1.00 6.12 O ATOM 0 H THR A 53 20.679 4.553 -7.860 1.00 4.16 H new ATOM 0 HA THR A 53 22.358 3.446 -9.997 1.00 4.70 H new ATOM 0 HB THR A 53 20.319 2.011 -9.821 1.00 5.14 H new ATOM 0 HG1 THR A 53 19.852 2.209 -12.115 1.00 5.71 H new ATOM 0 HG21 THR A 53 18.168 2.936 -10.620 1.00 5.45 H new ATOM 0 HG22 THR A 53 18.694 3.689 -9.095 1.00 5.45 H new ATOM 0 HG23 THR A 53 18.885 4.565 -10.632 1.00 5.45 H new TER 897 THR A 53 ATOM 898 N MET B 1 6.188 15.767 -2.210 1.00 2.12 N ATOM 899 CA MET B 1 5.900 15.944 -0.767 1.00 1.77 C ATOM 900 C MET B 1 4.503 15.437 -0.408 1.00 1.34 C ATOM 901 O MET B 1 4.087 15.521 0.749 1.00 2.00 O ATOM 902 CB MET B 1 6.033 17.418 -0.379 1.00 2.26 C ATOM 903 CG MET B 1 5.014 18.327 -1.050 1.00 3.04 C ATOM 904 SD MET B 1 5.220 20.058 -0.590 1.00 4.28 S ATOM 905 CE MET B 1 6.830 20.407 -1.295 1.00 5.41 C ATOM 0 H1 MET B 1 7.083 16.241 -2.446 1.00 2.12 H new ATOM 0 H2 MET B 1 6.266 14.753 -2.427 1.00 2.12 H new ATOM 0 H3 MET B 1 5.418 16.183 -2.771 1.00 2.12 H new ATOM 0 HA MET B 1 6.628 15.355 -0.209 1.00 1.77 H new ATOM 0 HB2 MET B 1 5.930 17.510 0.702 1.00 2.26 H new ATOM 0 HB3 MET B 1 7.035 17.762 -0.634 1.00 2.26 H new ATOM 0 HG2 MET B 1 5.103 18.229 -2.132 1.00 3.04 H new ATOM 0 HG3 MET B 1 4.009 18.001 -0.782 1.00 3.04 H new ATOM 0 HE1 MET B 1 6.949 21.484 -1.415 1.00 5.41 H new ATOM 0 HE2 MET B 1 7.608 20.027 -0.632 1.00 5.41 H new ATOM 0 HE3 MET B 1 6.914 19.922 -2.268 1.00 5.41 H new ATOM 917 N LYS B 2 3.787 14.897 -1.387 1.00 0.78 N ATOM 918 CA LYS B 2 2.426 14.420 -1.160 1.00 0.56 C ATOM 919 C LYS B 2 2.278 12.950 -1.577 1.00 0.55 C ATOM 920 O LYS B 2 2.399 12.052 -0.742 1.00 1.09 O ATOM 921 CB LYS B 2 1.415 15.304 -1.904 1.00 0.72 C ATOM 922 CG LYS B 2 1.829 15.657 -3.327 1.00 0.77 C ATOM 923 CD LYS B 2 0.647 16.126 -4.150 1.00 0.86 C ATOM 924 CE LYS B 2 -0.351 14.999 -4.347 1.00 0.70 C ATOM 925 NZ LYS B 2 -1.522 15.425 -5.155 1.00 1.29 N ATOM 0 H LYS B 2 4.123 14.778 -2.343 1.00 0.78 H new ATOM 0 HA LYS B 2 2.218 14.484 -0.092 1.00 0.56 H new ATOM 0 HB2 LYS B 2 0.453 14.792 -1.933 1.00 0.72 H new ATOM 0 HB3 LYS B 2 1.269 16.225 -1.340 1.00 0.72 H new ATOM 0 HG2 LYS B 2 2.589 16.438 -3.303 1.00 0.77 H new ATOM 0 HG3 LYS B 2 2.281 14.786 -3.802 1.00 0.77 H new ATOM 0 HD2 LYS B 2 0.161 16.966 -3.653 1.00 0.86 H new ATOM 0 HD3 LYS B 2 0.992 16.486 -5.119 1.00 0.86 H new ATOM 0 HE2 LYS B 2 0.142 14.160 -4.838 1.00 0.70 H new ATOM 0 HE3 LYS B 2 -0.692 14.643 -3.375 1.00 0.70 H new ATOM 0 HZ1 LYS B 2 -2.178 14.625 -5.265 1.00 1.29 H new ATOM 0 HZ2 LYS B 2 -2.009 16.208 -4.674 1.00 1.29 H new ATOM 0 HZ3 LYS B 2 -1.201 15.740 -6.093 1.00 1.29 H new ATOM 939 N SER B 3 2.034 12.722 -2.862 1.00 0.46 N ATOM 940 CA SER B 3 1.930 11.379 -3.427 1.00 0.38 C ATOM 941 C SER B 3 2.840 11.285 -4.642 1.00 0.36 C ATOM 942 O SER B 3 3.607 12.211 -4.913 1.00 0.41 O ATOM 943 CB SER B 3 0.480 11.086 -3.837 1.00 0.41 C ATOM 944 OG SER B 3 -0.371 11.048 -2.704 1.00 0.44 O ATOM 0 H SER B 3 1.902 13.467 -3.546 1.00 0.46 H new ATOM 0 HA SER B 3 2.233 10.645 -2.680 1.00 0.38 H new ATOM 0 HB2 SER B 3 0.133 11.851 -4.531 1.00 0.41 H new ATOM 0 HB3 SER B 3 0.433 10.133 -4.364 1.00 0.41 H new ATOM 0 HG SER B 3 -1.161 11.605 -2.869 1.00 0.44 H new ATOM 950 N THR B 4 2.761 10.171 -5.358 1.00 0.35 N ATOM 951 CA THR B 4 3.501 9.996 -6.596 1.00 0.35 C ATOM 952 C THR B 4 5.010 9.992 -6.346 1.00 0.34 C ATOM 953 O THR B 4 5.719 10.944 -6.668 1.00 0.40 O ATOM 954 CB THR B 4 3.123 11.080 -7.628 1.00 0.36 C ATOM 955 OG1 THR B 4 1.699 11.091 -7.804 1.00 0.35 O ATOM 956 CG2 THR B 4 3.796 10.820 -8.962 1.00 0.41 C ATOM 0 H THR B 4 2.186 9.370 -5.098 1.00 0.35 H new ATOM 0 HA THR B 4 3.226 9.025 -7.007 1.00 0.35 H new ATOM 0 HB THR B 4 3.462 12.047 -7.255 1.00 0.36 H new ATOM 0 HG1 THR B 4 1.272 11.440 -6.994 1.00 0.35 H new ATOM 0 HG21 THR B 4 3.512 11.598 -9.670 1.00 0.41 H new ATOM 0 HG22 THR B 4 4.878 10.825 -8.831 1.00 0.41 H new ATOM 0 HG23 THR B 4 3.482 9.849 -9.345 1.00 0.41 H new ATOM 964 N GLY B 5 5.488 8.925 -5.720 1.00 0.30 N ATOM 965 CA GLY B 5 6.904 8.757 -5.528 1.00 0.30 C ATOM 966 C GLY B 5 7.369 9.301 -4.200 1.00 0.29 C ATOM 967 O GLY B 5 8.450 9.877 -4.098 1.00 0.32 O ATOM 0 H GLY B 5 4.912 8.173 -5.342 1.00 0.30 H new ATOM 0 HA2 GLY B 5 7.154 7.698 -5.592 1.00 0.30 H new ATOM 0 HA3 GLY B 5 7.440 9.261 -6.332 1.00 0.30 H new ATOM 971 N ILE B 6 6.556 9.114 -3.175 1.00 0.28 N ATOM 972 CA ILE B 6 6.916 9.570 -1.845 1.00 0.29 C ATOM 973 C ILE B 6 7.334 8.380 -0.992 1.00 0.25 C ATOM 974 O ILE B 6 6.671 7.344 -0.986 1.00 0.24 O ATOM 975 CB ILE B 6 5.771 10.345 -1.153 1.00 0.35 C ATOM 976 CG1 ILE B 6 6.284 10.960 0.148 1.00 0.42 C ATOM 977 CG2 ILE B 6 4.568 9.447 -0.889 1.00 0.32 C ATOM 978 CD1 ILE B 6 7.161 12.176 -0.058 1.00 0.52 C ATOM 0 H ILE B 6 5.648 8.653 -3.237 1.00 0.28 H new ATOM 0 HA ILE B 6 7.750 10.264 -1.952 1.00 0.29 H new ATOM 0 HB ILE B 6 5.439 11.140 -1.820 1.00 0.35 H new ATOM 0 HG12 ILE B 6 5.432 11.238 0.769 1.00 0.42 H new ATOM 0 HG13 ILE B 6 6.847 10.206 0.699 1.00 0.42 H new ATOM 0 HG21 ILE B 6 3.783 10.025 -0.402 1.00 0.32 H new ATOM 0 HG22 ILE B 6 4.195 9.052 -1.834 1.00 0.32 H new ATOM 0 HG23 ILE B 6 4.865 8.621 -0.242 1.00 0.32 H new ATOM 0 HD11 ILE B 6 7.487 12.558 0.910 1.00 0.52 H new ATOM 0 HD12 ILE B 6 8.032 11.900 -0.652 1.00 0.52 H new ATOM 0 HD13 ILE B 6 6.596 12.948 -0.581 1.00 0.52 H new ATOM 990 N VAL B 7 8.434 8.517 -0.284 1.00 0.25 N ATOM 991 CA VAL B 7 9.008 7.394 0.425 1.00 0.24 C ATOM 992 C VAL B 7 8.489 7.314 1.862 1.00 0.28 C ATOM 993 O VAL B 7 8.696 8.218 2.673 1.00 0.37 O ATOM 994 CB VAL B 7 10.553 7.446 0.391 1.00 0.25 C ATOM 995 CG1 VAL B 7 11.095 8.698 1.066 1.00 0.31 C ATOM 996 CG2 VAL B 7 11.140 6.197 1.013 1.00 0.30 C ATOM 0 H VAL B 7 8.948 9.392 -0.184 1.00 0.25 H new ATOM 0 HA VAL B 7 8.692 6.485 -0.087 1.00 0.24 H new ATOM 0 HB VAL B 7 10.858 7.489 -0.655 1.00 0.25 H new ATOM 0 HG11 VAL B 7 12.184 8.694 1.019 1.00 0.31 H new ATOM 0 HG12 VAL B 7 10.713 9.581 0.554 1.00 0.31 H new ATOM 0 HG13 VAL B 7 10.777 8.716 2.108 1.00 0.31 H new ATOM 0 HG21 VAL B 7 12.228 6.251 0.980 1.00 0.30 H new ATOM 0 HG22 VAL B 7 10.812 6.118 2.049 1.00 0.30 H new ATOM 0 HG23 VAL B 7 10.803 5.321 0.458 1.00 0.30 H new ATOM 1006 N ARG B 8 7.801 6.225 2.159 1.00 0.27 N ATOM 1007 CA ARG B 8 7.220 6.005 3.474 1.00 0.32 C ATOM 1008 C ARG B 8 7.966 4.896 4.199 1.00 0.27 C ATOM 1009 O ARG B 8 8.643 4.081 3.570 1.00 0.26 O ATOM 1010 CB ARG B 8 5.753 5.599 3.345 1.00 0.41 C ATOM 1011 CG ARG B 8 4.772 6.651 3.826 1.00 0.57 C ATOM 1012 CD ARG B 8 4.581 7.764 2.813 1.00 0.57 C ATOM 1013 NE ARG B 8 3.302 8.444 3.011 1.00 0.95 N ATOM 1014 CZ ARG B 8 3.161 9.766 3.130 1.00 0.89 C ATOM 1015 NH1 ARG B 8 4.223 10.558 3.137 1.00 1.74 N ATOM 1016 NH2 ARG B 8 1.953 10.294 3.273 1.00 1.09 N ATOM 0 H ARG B 8 7.629 5.469 1.497 1.00 0.27 H new ATOM 0 HA ARG B 8 7.297 6.935 4.038 1.00 0.32 H new ATOM 0 HB2 ARG B 8 5.541 5.371 2.300 1.00 0.41 H new ATOM 0 HB3 ARG B 8 5.591 4.681 3.910 1.00 0.41 H new ATOM 0 HG2 ARG B 8 3.810 6.181 4.032 1.00 0.57 H new ATOM 0 HG3 ARG B 8 5.128 7.074 4.765 1.00 0.57 H new ATOM 0 HD2 ARG B 8 5.396 8.483 2.900 1.00 0.57 H new ATOM 0 HD3 ARG B 8 4.625 7.353 1.804 1.00 0.57 H new ATOM 0 HE ARG B 8 2.461 7.869 3.062 1.00 0.95 H new ATOM 0 HH11 ARG B 8 5.158 10.159 3.051 1.00 1.74 H new ATOM 0 HH12 ARG B 8 4.106 11.567 3.228 1.00 1.74 H new ATOM 0 HH21 ARG B 8 1.131 9.690 3.292 1.00 1.09 H new ATOM 0 HH22 ARG B 8 1.845 11.304 3.364 1.00 1.09 H new ATOM 1030 N LYS B 9 7.838 4.868 5.511 1.00 0.30 N ATOM 1031 CA LYS B 9 8.354 3.767 6.304 1.00 0.27 C ATOM 1032 C LYS B 9 7.289 2.676 6.356 1.00 0.24 C ATOM 1033 O LYS B 9 6.107 2.964 6.156 1.00 0.26 O ATOM 1034 CB LYS B 9 8.688 4.251 7.720 1.00 0.30 C ATOM 1035 CG LYS B 9 9.491 3.253 8.536 1.00 1.23 C ATOM 1036 CD LYS B 9 10.930 3.712 8.759 1.00 0.97 C ATOM 1037 CE LYS B 9 11.669 4.009 7.456 1.00 0.69 C ATOM 1038 NZ LYS B 9 11.469 5.412 6.993 1.00 0.92 N ATOM 0 H LYS B 9 7.379 5.599 6.054 1.00 0.30 H new ATOM 0 HA LYS B 9 9.267 3.375 5.855 1.00 0.27 H new ATOM 0 HB2 LYS B 9 9.247 5.184 7.652 1.00 0.30 H new ATOM 0 HB3 LYS B 9 7.760 4.473 8.246 1.00 0.30 H new ATOM 0 HG2 LYS B 9 9.006 3.102 9.501 1.00 1.23 H new ATOM 0 HG3 LYS B 9 9.494 2.289 8.027 1.00 1.23 H new ATOM 0 HD2 LYS B 9 10.928 4.607 9.381 1.00 0.97 H new ATOM 0 HD3 LYS B 9 11.470 2.942 9.310 1.00 0.97 H new ATOM 0 HE2 LYS B 9 12.734 3.824 7.596 1.00 0.69 H new ATOM 0 HE3 LYS B 9 11.325 3.322 6.683 1.00 0.69 H new ATOM 0 HZ1 LYS B 9 12.355 5.773 6.586 1.00 0.92 H new ATOM 0 HZ2 LYS B 9 10.721 5.436 6.271 1.00 0.92 H new ATOM 0 HZ3 LYS B 9 11.191 6.007 7.799 1.00 0.92 H new ATOM 1052 N VAL B 10 7.692 1.431 6.587 1.00 0.22 N ATOM 1053 CA VAL B 10 6.724 0.355 6.718 1.00 0.22 C ATOM 1054 C VAL B 10 6.092 0.403 8.112 1.00 0.24 C ATOM 1055 O VAL B 10 5.372 1.346 8.445 1.00 0.39 O ATOM 1056 CB VAL B 10 7.351 -1.049 6.483 1.00 0.23 C ATOM 1057 CG1 VAL B 10 6.289 -2.060 6.083 1.00 0.27 C ATOM 1058 CG2 VAL B 10 8.465 -1.006 5.452 1.00 0.22 C ATOM 0 H VAL B 10 8.667 1.147 6.686 1.00 0.22 H new ATOM 0 HA VAL B 10 5.968 0.506 5.947 1.00 0.22 H new ATOM 0 HB VAL B 10 7.791 -1.367 7.428 1.00 0.23 H new ATOM 0 HG11 VAL B 10 6.754 -3.033 5.925 1.00 0.27 H new ATOM 0 HG12 VAL B 10 5.544 -2.138 6.875 1.00 0.27 H new ATOM 0 HG13 VAL B 10 5.806 -1.735 5.162 1.00 0.27 H new ATOM 0 HG21 VAL B 10 8.875 -2.007 5.318 1.00 0.22 H new ATOM 0 HG22 VAL B 10 8.068 -0.646 4.503 1.00 0.22 H new ATOM 0 HG23 VAL B 10 9.252 -0.334 5.794 1.00 0.22 H new ATOM 1068 N ASP B 11 6.407 -0.595 8.931 1.00 0.23 N ATOM 1069 CA ASP B 11 5.903 -0.681 10.298 1.00 0.31 C ATOM 1070 C ASP B 11 6.445 -1.932 10.956 1.00 0.27 C ATOM 1071 O ASP B 11 7.285 -1.869 11.853 1.00 0.21 O ATOM 1072 CB ASP B 11 4.372 -0.705 10.326 1.00 0.64 C ATOM 1073 CG ASP B 11 3.805 -0.792 11.731 1.00 0.98 C ATOM 1074 OD1 ASP B 11 4.448 -0.284 12.677 1.00 1.66 O ATOM 1075 OD2 ASP B 11 2.704 -1.360 11.891 1.00 1.39 O ATOM 0 H ASP B 11 7.019 -1.367 8.666 1.00 0.23 H new ATOM 0 HA ASP B 11 6.237 0.202 10.843 1.00 0.31 H new ATOM 0 HB2 ASP B 11 3.991 0.194 9.842 1.00 0.64 H new ATOM 0 HB3 ASP B 11 4.017 -1.555 9.744 1.00 0.64 H new ATOM 1080 N GLU B 12 5.975 -3.072 10.480 1.00 0.40 N ATOM 1081 CA GLU B 12 6.428 -4.361 10.971 1.00 0.54 C ATOM 1082 C GLU B 12 6.114 -5.453 9.968 1.00 0.46 C ATOM 1083 O GLU B 12 6.946 -5.809 9.131 1.00 0.52 O ATOM 1084 CB GLU B 12 5.789 -4.703 12.325 1.00 0.77 C ATOM 1085 CG GLU B 12 4.409 -4.106 12.538 1.00 0.87 C ATOM 1086 CD GLU B 12 3.871 -4.372 13.926 1.00 1.22 C ATOM 1087 OE1 GLU B 12 3.228 -5.422 14.131 1.00 1.91 O ATOM 1088 OE2 GLU B 12 4.081 -3.528 14.819 1.00 1.57 O ATOM 0 H GLU B 12 5.271 -3.130 9.744 1.00 0.40 H new ATOM 0 HA GLU B 12 7.508 -4.297 11.108 1.00 0.54 H new ATOM 0 HB2 GLU B 12 5.720 -5.787 12.417 1.00 0.77 H new ATOM 0 HB3 GLU B 12 6.448 -4.357 13.121 1.00 0.77 H new ATOM 0 HG2 GLU B 12 4.452 -3.030 12.369 1.00 0.87 H new ATOM 0 HG3 GLU B 12 3.721 -4.518 11.800 1.00 0.87 H new ATOM 1095 N LEU B 13 4.892 -5.943 10.041 1.00 0.39 N ATOM 1096 CA LEU B 13 4.461 -7.086 9.259 1.00 0.35 C ATOM 1097 C LEU B 13 4.240 -6.730 7.790 1.00 0.29 C ATOM 1098 O LEU B 13 4.170 -7.620 6.941 1.00 0.40 O ATOM 1099 CB LEU B 13 3.185 -7.679 9.866 1.00 0.40 C ATOM 1100 CG LEU B 13 1.881 -6.902 9.615 1.00 0.53 C ATOM 1101 CD1 LEU B 13 0.685 -7.736 10.036 1.00 0.64 C ATOM 1102 CD2 LEU B 13 1.870 -5.579 10.369 1.00 0.72 C ATOM 0 H LEU B 13 4.167 -5.558 10.647 1.00 0.39 H new ATOM 0 HA LEU B 13 5.258 -7.829 9.290 1.00 0.35 H new ATOM 0 HB2 LEU B 13 3.060 -8.690 9.478 1.00 0.40 H new ATOM 0 HB3 LEU B 13 3.328 -7.767 10.943 1.00 0.40 H new ATOM 0 HG LEU B 13 1.821 -6.690 8.547 1.00 0.53 H new ATOM 0 HD11 LEU B 13 -0.232 -7.175 9.854 1.00 0.64 H new ATOM 0 HD12 LEU B 13 0.666 -8.661 9.460 1.00 0.64 H new ATOM 0 HD13 LEU B 13 0.761 -7.971 11.098 1.00 0.64 H new ATOM 0 HD21 LEU B 13 0.935 -5.055 10.170 1.00 0.72 H new ATOM 0 HD22 LEU B 13 1.959 -5.769 11.439 1.00 0.72 H new ATOM 0 HD23 LEU B 13 2.708 -4.965 10.039 1.00 0.72 H new ATOM 1114 N GLY B 14 4.136 -5.438 7.486 1.00 0.25 N ATOM 1115 CA GLY B 14 3.957 -5.032 6.105 1.00 0.24 C ATOM 1116 C GLY B 14 3.157 -3.762 5.962 1.00 0.22 C ATOM 1117 O GLY B 14 3.178 -3.140 4.911 1.00 0.31 O ATOM 0 H GLY B 14 4.172 -4.675 8.162 1.00 0.25 H new ATOM 0 HA2 GLY B 14 4.935 -4.893 5.644 1.00 0.24 H new ATOM 0 HA3 GLY B 14 3.458 -5.832 5.559 1.00 0.24 H new ATOM 1121 N ARG B 15 2.447 -3.380 7.017 1.00 0.17 N ATOM 1122 CA ARG B 15 1.626 -2.172 6.992 1.00 0.17 C ATOM 1123 C ARG B 15 2.427 -0.952 6.537 1.00 0.17 C ATOM 1124 O ARG B 15 3.324 -0.500 7.239 1.00 0.22 O ATOM 1125 CB ARG B 15 1.023 -1.914 8.369 1.00 0.20 C ATOM 1126 CG ARG B 15 -0.475 -2.064 8.398 1.00 0.23 C ATOM 1127 CD ARG B 15 -1.000 -1.989 9.814 1.00 0.25 C ATOM 1128 NE ARG B 15 -2.446 -2.169 9.873 1.00 0.42 N ATOM 1129 CZ ARG B 15 -3.099 -2.611 10.950 1.00 0.58 C ATOM 1130 NH1 ARG B 15 -2.444 -2.857 12.080 1.00 0.72 N ATOM 1131 NH2 ARG B 15 -4.413 -2.775 10.904 1.00 0.75 N ATOM 0 H ARG B 15 2.422 -3.888 7.901 1.00 0.17 H new ATOM 0 HA ARG B 15 0.825 -2.335 6.271 1.00 0.17 H new ATOM 0 HB2 ARG B 15 1.465 -2.605 9.087 1.00 0.20 H new ATOM 0 HB3 ARG B 15 1.287 -0.907 8.691 1.00 0.20 H new ATOM 0 HG2 ARG B 15 -0.934 -1.281 7.794 1.00 0.23 H new ATOM 0 HG3 ARG B 15 -0.757 -3.018 7.952 1.00 0.23 H new ATOM 0 HD2 ARG B 15 -0.515 -2.753 10.421 1.00 0.25 H new ATOM 0 HD3 ARG B 15 -0.737 -1.024 10.247 1.00 0.25 H new ATOM 0 HE ARG B 15 -2.991 -1.944 9.041 1.00 0.42 H new ATOM 0 HH11 ARG B 15 -1.436 -2.708 12.128 1.00 0.72 H new ATOM 0 HH12 ARG B 15 -2.949 -3.195 12.899 1.00 0.72 H new ATOM 0 HH21 ARG B 15 -4.924 -2.564 10.047 1.00 0.75 H new ATOM 0 HH22 ARG B 15 -4.914 -3.113 11.726 1.00 0.75 H new ATOM 1145 N VAL B 16 2.102 -0.442 5.354 1.00 0.14 N ATOM 1146 CA VAL B 16 2.742 0.758 4.823 1.00 0.14 C ATOM 1147 C VAL B 16 1.784 1.945 4.932 1.00 0.16 C ATOM 1148 O VAL B 16 0.572 1.796 4.748 1.00 0.16 O ATOM 1149 CB VAL B 16 3.186 0.564 3.352 1.00 0.15 C ATOM 1150 CG1 VAL B 16 1.992 0.349 2.433 1.00 1.04 C ATOM 1151 CG2 VAL B 16 4.019 1.746 2.892 1.00 0.96 C ATOM 0 H VAL B 16 1.394 -0.844 4.740 1.00 0.14 H new ATOM 0 HA VAL B 16 3.636 0.954 5.415 1.00 0.14 H new ATOM 0 HB VAL B 16 3.801 -0.334 3.302 1.00 0.15 H new ATOM 0 HG11 VAL B 16 2.340 0.216 1.409 1.00 1.04 H new ATOM 0 HG12 VAL B 16 1.446 -0.540 2.748 1.00 1.04 H new ATOM 0 HG13 VAL B 16 1.334 1.216 2.483 1.00 1.04 H new ATOM 0 HG21 VAL B 16 4.324 1.595 1.856 1.00 0.96 H new ATOM 0 HG22 VAL B 16 3.428 2.659 2.967 1.00 0.96 H new ATOM 0 HG23 VAL B 16 4.904 1.834 3.522 1.00 0.96 H new ATOM 1161 N VAL B 17 2.326 3.113 5.251 1.00 0.17 N ATOM 1162 CA VAL B 17 1.509 4.292 5.521 1.00 0.17 C ATOM 1163 C VAL B 17 0.987 4.937 4.232 1.00 0.18 C ATOM 1164 O VAL B 17 1.749 5.540 3.471 1.00 0.25 O ATOM 1165 CB VAL B 17 2.308 5.343 6.319 1.00 0.20 C ATOM 1166 CG1 VAL B 17 1.440 6.546 6.660 1.00 0.23 C ATOM 1167 CG2 VAL B 17 2.891 4.726 7.577 1.00 0.22 C ATOM 0 H VAL B 17 3.331 3.271 5.330 1.00 0.17 H new ATOM 0 HA VAL B 17 0.657 3.952 6.109 1.00 0.17 H new ATOM 0 HB VAL B 17 3.130 5.690 5.693 1.00 0.20 H new ATOM 0 HG11 VAL B 17 2.028 7.271 7.222 1.00 0.23 H new ATOM 0 HG12 VAL B 17 1.079 7.007 5.740 1.00 0.23 H new ATOM 0 HG13 VAL B 17 0.591 6.223 7.262 1.00 0.23 H new ATOM 0 HG21 VAL B 17 3.451 5.482 8.127 1.00 0.22 H new ATOM 0 HG22 VAL B 17 2.084 4.345 8.203 1.00 0.22 H new ATOM 0 HG23 VAL B 17 3.557 3.907 7.306 1.00 0.22 H new ATOM 1177 N ILE B 18 -0.310 4.796 3.997 1.00 0.16 N ATOM 1178 CA ILE B 18 -0.982 5.450 2.880 1.00 0.21 C ATOM 1179 C ILE B 18 -1.199 6.931 3.182 1.00 0.17 C ATOM 1180 O ILE B 18 -1.580 7.285 4.301 1.00 0.18 O ATOM 1181 CB ILE B 18 -2.361 4.809 2.611 1.00 0.30 C ATOM 1182 CG1 ILE B 18 -2.227 3.305 2.368 1.00 0.34 C ATOM 1183 CG2 ILE B 18 -3.045 5.481 1.431 1.00 0.44 C ATOM 1184 CD1 ILE B 18 -1.600 2.946 1.038 1.00 0.55 C ATOM 0 H ILE B 18 -0.927 4.225 4.575 1.00 0.16 H new ATOM 0 HA ILE B 18 -0.345 5.332 2.004 1.00 0.21 H new ATOM 0 HB ILE B 18 -2.979 4.956 3.497 1.00 0.30 H new ATOM 0 HG12 ILE B 18 -1.628 2.871 3.169 1.00 0.34 H new ATOM 0 HG13 ILE B 18 -3.215 2.849 2.426 1.00 0.34 H new ATOM 0 HG21 ILE B 18 -4.015 5.014 1.259 1.00 0.44 H new ATOM 0 HG22 ILE B 18 -3.185 6.540 1.647 1.00 0.44 H new ATOM 0 HG23 ILE B 18 -2.426 5.371 0.541 1.00 0.44 H new ATOM 0 HD11 ILE B 18 -1.541 1.862 0.944 1.00 0.55 H new ATOM 0 HD12 ILE B 18 -2.209 3.348 0.228 1.00 0.55 H new ATOM 0 HD13 ILE B 18 -0.597 3.370 0.982 1.00 0.55 H new ATOM 1196 N PRO B 19 -0.923 7.816 2.207 1.00 0.20 N ATOM 1197 CA PRO B 19 -1.266 9.235 2.299 1.00 0.22 C ATOM 1198 C PRO B 19 -2.711 9.478 2.722 1.00 0.21 C ATOM 1199 O PRO B 19 -3.633 8.794 2.266 1.00 0.18 O ATOM 1200 CB PRO B 19 -1.070 9.736 0.881 1.00 0.26 C ATOM 1201 CG PRO B 19 0.018 8.875 0.350 1.00 0.28 C ATOM 1202 CD PRO B 19 -0.206 7.515 0.956 1.00 0.27 C ATOM 0 HA PRO B 19 -0.657 9.736 3.051 1.00 0.22 H new ATOM 0 HB2 PRO B 19 -1.982 9.638 0.292 1.00 0.26 H new ATOM 0 HB3 PRO B 19 -0.791 10.790 0.864 1.00 0.26 H new ATOM 0 HG2 PRO B 19 -0.015 8.829 -0.739 1.00 0.28 H new ATOM 0 HG3 PRO B 19 0.997 9.269 0.623 1.00 0.28 H new ATOM 0 HD2 PRO B 19 -0.794 6.874 0.299 1.00 0.27 H new ATOM 0 HD3 PRO B 19 0.735 6.999 1.146 1.00 0.27 H new ATOM 1210 N ILE B 20 -2.897 10.471 3.569 1.00 0.25 N ATOM 1211 CA ILE B 20 -4.227 10.863 4.017 1.00 0.26 C ATOM 1212 C ILE B 20 -5.097 11.284 2.828 1.00 0.26 C ATOM 1213 O ILE B 20 -6.295 11.015 2.800 1.00 0.25 O ATOM 1214 CB ILE B 20 -4.154 12.004 5.059 1.00 0.30 C ATOM 1215 CG1 ILE B 20 -5.556 12.415 5.512 1.00 0.31 C ATOM 1216 CG2 ILE B 20 -3.400 13.199 4.498 1.00 0.34 C ATOM 1217 CD1 ILE B 20 -5.563 13.479 6.590 1.00 0.82 C ATOM 0 H ILE B 20 -2.140 11.028 3.966 1.00 0.25 H new ATOM 0 HA ILE B 20 -4.684 9.996 4.495 1.00 0.26 H new ATOM 0 HB ILE B 20 -3.609 11.635 5.928 1.00 0.30 H new ATOM 0 HG12 ILE B 20 -6.113 12.781 4.650 1.00 0.31 H new ATOM 0 HG13 ILE B 20 -6.081 11.534 5.881 1.00 0.31 H new ATOM 0 HG21 ILE B 20 -3.361 13.989 5.248 1.00 0.34 H new ATOM 0 HG22 ILE B 20 -2.386 12.898 4.235 1.00 0.34 H new ATOM 0 HG23 ILE B 20 -3.912 13.567 3.609 1.00 0.34 H new ATOM 0 HD11 ILE B 20 -6.592 13.718 6.859 1.00 0.82 H new ATOM 0 HD12 ILE B 20 -5.035 13.110 7.469 1.00 0.82 H new ATOM 0 HD13 ILE B 20 -5.067 14.376 6.219 1.00 0.82 H new ATOM 1229 N GLU B 21 -4.475 11.886 1.820 1.00 0.28 N ATOM 1230 CA GLU B 21 -5.201 12.344 0.640 1.00 0.30 C ATOM 1231 C GLU B 21 -5.602 11.159 -0.224 1.00 0.26 C ATOM 1232 O GLU B 21 -6.586 11.214 -0.962 1.00 0.26 O ATOM 1233 CB GLU B 21 -4.347 13.311 -0.180 1.00 0.37 C ATOM 1234 CG GLU B 21 -3.072 12.686 -0.728 1.00 0.42 C ATOM 1235 CD GLU B 21 -2.417 13.537 -1.793 1.00 0.64 C ATOM 1236 OE1 GLU B 21 -2.141 14.726 -1.525 1.00 1.18 O ATOM 1237 OE2 GLU B 21 -2.196 13.026 -2.913 1.00 1.35 O ATOM 0 H GLU B 21 -3.472 12.068 1.796 1.00 0.28 H new ATOM 0 HA GLU B 21 -6.098 12.865 0.975 1.00 0.30 H new ATOM 0 HB2 GLU B 21 -4.941 13.692 -1.011 1.00 0.37 H new ATOM 0 HB3 GLU B 21 -4.084 14.167 0.442 1.00 0.37 H new ATOM 0 HG2 GLU B 21 -2.368 12.529 0.090 1.00 0.42 H new ATOM 0 HG3 GLU B 21 -3.302 11.705 -1.143 1.00 0.42 H new ATOM 1244 N LEU B 22 -4.881 10.059 -0.073 1.00 0.24 N ATOM 1245 CA LEU B 22 -5.122 8.900 -0.898 1.00 0.22 C ATOM 1246 C LEU B 22 -6.310 8.142 -0.346 1.00 0.20 C ATOM 1247 O LEU B 22 -7.266 7.845 -1.061 1.00 0.20 O ATOM 1248 CB LEU B 22 -3.885 8.011 -0.957 1.00 0.23 C ATOM 1249 CG LEU B 22 -2.744 8.530 -1.836 1.00 0.28 C ATOM 1250 CD1 LEU B 22 -1.834 7.388 -2.244 1.00 0.30 C ATOM 1251 CD2 LEU B 22 -3.283 9.259 -3.057 1.00 0.33 C ATOM 0 H LEU B 22 -4.131 9.951 0.610 1.00 0.24 H new ATOM 0 HA LEU B 22 -5.342 9.219 -1.917 1.00 0.22 H new ATOM 0 HB2 LEU B 22 -3.507 7.875 0.056 1.00 0.23 H new ATOM 0 HB3 LEU B 22 -4.182 7.027 -1.321 1.00 0.23 H new ATOM 0 HG LEU B 22 -2.161 9.245 -1.255 1.00 0.28 H new ATOM 0 HD11 LEU B 22 -1.027 7.771 -2.869 1.00 0.30 H new ATOM 0 HD12 LEU B 22 -1.413 6.922 -1.353 1.00 0.30 H new ATOM 0 HD13 LEU B 22 -2.407 6.649 -2.804 1.00 0.30 H new ATOM 0 HD21 LEU B 22 -2.451 9.617 -3.664 1.00 0.33 H new ATOM 0 HD22 LEU B 22 -3.895 8.577 -3.647 1.00 0.33 H new ATOM 0 HD23 LEU B 22 -3.889 10.106 -2.737 1.00 0.33 H new ATOM 1263 N ARG B 23 -6.285 7.910 0.957 1.00 0.19 N ATOM 1264 CA ARG B 23 -7.366 7.205 1.618 1.00 0.18 C ATOM 1265 C ARG B 23 -8.629 8.050 1.537 1.00 0.18 C ATOM 1266 O ARG B 23 -9.732 7.529 1.425 1.00 0.19 O ATOM 1267 CB ARG B 23 -7.017 6.931 3.082 1.00 0.21 C ATOM 1268 CG ARG B 23 -6.713 8.189 3.871 1.00 0.27 C ATOM 1269 CD ARG B 23 -6.913 7.973 5.354 1.00 0.64 C ATOM 1270 NE ARG B 23 -6.797 9.217 6.115 1.00 0.66 N ATOM 1271 CZ ARG B 23 -7.407 9.439 7.283 1.00 0.88 C ATOM 1272 NH1 ARG B 23 -8.188 8.507 7.817 1.00 1.48 N ATOM 1273 NH2 ARG B 23 -7.235 10.597 7.911 1.00 1.34 N ATOM 0 H ARG B 23 -5.528 8.200 1.575 1.00 0.19 H new ATOM 0 HA ARG B 23 -7.525 6.248 1.121 1.00 0.18 H new ATOM 0 HB2 ARG B 23 -7.847 6.406 3.554 1.00 0.21 H new ATOM 0 HB3 ARG B 23 -6.154 6.266 3.124 1.00 0.21 H new ATOM 0 HG2 ARG B 23 -5.685 8.499 3.682 1.00 0.27 H new ATOM 0 HG3 ARG B 23 -7.358 8.999 3.530 1.00 0.27 H new ATOM 0 HD2 ARG B 23 -7.896 7.534 5.526 1.00 0.64 H new ATOM 0 HD3 ARG B 23 -6.176 7.257 5.718 1.00 0.64 H new ATOM 0 HE ARG B 23 -6.215 9.961 5.730 1.00 0.66 H new ATOM 0 HH11 ARG B 23 -8.324 7.618 7.335 1.00 1.48 H new ATOM 0 HH12 ARG B 23 -8.652 8.680 8.709 1.00 1.48 H new ATOM 0 HH21 ARG B 23 -6.638 11.315 7.502 1.00 1.34 H new ATOM 0 HH22 ARG B 23 -7.700 10.768 8.803 1.00 1.34 H new ATOM 1287 N ARG B 24 -8.439 9.368 1.583 1.00 0.20 N ATOM 1288 CA ARG B 24 -9.527 10.317 1.428 1.00 0.22 C ATOM 1289 C ARG B 24 -10.121 10.222 0.033 1.00 0.22 C ATOM 1290 O ARG B 24 -11.335 10.315 -0.142 1.00 0.23 O ATOM 1291 CB ARG B 24 -9.032 11.727 1.690 1.00 0.30 C ATOM 1292 CG ARG B 24 -10.119 12.771 1.605 1.00 0.42 C ATOM 1293 CD ARG B 24 -9.526 14.137 1.312 1.00 0.89 C ATOM 1294 NE ARG B 24 -9.272 14.331 -0.115 1.00 1.40 N ATOM 1295 CZ ARG B 24 -8.388 15.200 -0.601 1.00 1.96 C ATOM 1296 NH1 ARG B 24 -7.640 15.929 0.220 1.00 2.14 N ATOM 1297 NH2 ARG B 24 -8.241 15.325 -1.913 1.00 2.77 N ATOM 0 H ARG B 24 -7.527 9.801 1.729 1.00 0.20 H new ATOM 0 HA ARG B 24 -10.304 10.075 2.153 1.00 0.22 H new ATOM 0 HB2 ARG B 24 -8.578 11.766 2.680 1.00 0.30 H new ATOM 0 HB3 ARG B 24 -8.250 11.969 0.971 1.00 0.30 H new ATOM 0 HG2 ARG B 24 -10.829 12.502 0.823 1.00 0.42 H new ATOM 0 HG3 ARG B 24 -10.674 12.803 2.543 1.00 0.42 H new ATOM 0 HD2 ARG B 24 -10.206 14.911 1.667 1.00 0.89 H new ATOM 0 HD3 ARG B 24 -8.594 14.253 1.865 1.00 0.89 H new ATOM 0 HE ARG B 24 -9.804 13.767 -0.778 1.00 1.40 H new ATOM 0 HH11 ARG B 24 -7.741 15.825 1.230 1.00 2.14 H new ATOM 0 HH12 ARG B 24 -6.965 16.593 -0.159 1.00 2.14 H new ATOM 0 HH21 ARG B 24 -8.804 14.757 -2.546 1.00 2.77 H new ATOM 0 HH22 ARG B 24 -7.565 15.990 -2.289 1.00 2.77 H new ATOM 1311 N THR B 25 -9.258 10.011 -0.953 1.00 0.23 N ATOM 1312 CA THR B 25 -9.709 9.837 -2.333 1.00 0.24 C ATOM 1313 C THR B 25 -10.563 8.581 -2.459 1.00 0.22 C ATOM 1314 O THR B 25 -11.540 8.545 -3.208 1.00 0.23 O ATOM 1315 CB THR B 25 -8.523 9.736 -3.312 1.00 0.27 C ATOM 1316 OG1 THR B 25 -7.762 10.950 -3.275 1.00 0.31 O ATOM 1317 CG2 THR B 25 -9.009 9.488 -4.729 1.00 0.29 C ATOM 0 H THR B 25 -8.247 9.956 -0.827 1.00 0.23 H new ATOM 0 HA THR B 25 -10.300 10.716 -2.591 1.00 0.24 H new ATOM 0 HB THR B 25 -7.897 8.897 -3.007 1.00 0.27 H new ATOM 0 HG1 THR B 25 -7.527 11.161 -2.347 1.00 0.31 H new ATOM 0 HG21 THR B 25 -8.153 9.421 -5.401 1.00 0.29 H new ATOM 0 HG22 THR B 25 -9.571 8.555 -4.763 1.00 0.29 H new ATOM 0 HG23 THR B 25 -9.652 10.310 -5.042 1.00 0.29 H new ATOM 1325 N LEU B 26 -10.216 7.568 -1.680 1.00 0.20 N ATOM 1326 CA LEU B 26 -10.905 6.289 -1.745 1.00 0.19 C ATOM 1327 C LEU B 26 -12.093 6.301 -0.794 1.00 0.18 C ATOM 1328 O LEU B 26 -12.949 5.416 -0.823 1.00 0.21 O ATOM 1329 CB LEU B 26 -9.952 5.160 -1.360 1.00 0.19 C ATOM 1330 CG LEU B 26 -8.490 5.388 -1.743 1.00 0.20 C ATOM 1331 CD1 LEU B 26 -7.627 4.231 -1.280 1.00 0.20 C ATOM 1332 CD2 LEU B 26 -8.332 5.628 -3.243 1.00 0.24 C ATOM 0 H LEU B 26 -9.461 7.607 -0.995 1.00 0.20 H new ATOM 0 HA LEU B 26 -11.256 6.125 -2.764 1.00 0.19 H new ATOM 0 HB2 LEU B 26 -10.010 5.008 -0.282 1.00 0.19 H new ATOM 0 HB3 LEU B 26 -10.296 4.239 -1.831 1.00 0.19 H new ATOM 0 HG LEU B 26 -8.151 6.290 -1.234 1.00 0.20 H new ATOM 0 HD11 LEU B 26 -6.590 4.414 -1.563 1.00 0.20 H new ATOM 0 HD12 LEU B 26 -7.696 4.137 -0.196 1.00 0.20 H new ATOM 0 HD13 LEU B 26 -7.973 3.309 -1.747 1.00 0.20 H new ATOM 0 HD21 LEU B 26 -7.279 5.786 -3.477 1.00 0.24 H new ATOM 0 HD22 LEU B 26 -8.699 4.760 -3.791 1.00 0.24 H new ATOM 0 HD23 LEU B 26 -8.904 6.509 -3.533 1.00 0.24 H new ATOM 1344 N GLY B 27 -12.136 7.337 0.032 1.00 0.19 N ATOM 1345 CA GLY B 27 -13.132 7.439 1.076 1.00 0.21 C ATOM 1346 C GLY B 27 -13.005 6.330 2.102 1.00 0.24 C ATOM 1347 O GLY B 27 -13.998 5.910 2.697 1.00 0.34 O ATOM 0 H GLY B 27 -11.485 8.121 -0.006 1.00 0.19 H new ATOM 0 HA2 GLY B 27 -13.036 8.404 1.574 1.00 0.21 H new ATOM 0 HA3 GLY B 27 -14.126 7.407 0.631 1.00 0.21 H new ATOM 1351 N ILE B 28 -11.784 5.853 2.308 1.00 0.22 N ATOM 1352 CA ILE B 28 -11.538 4.777 3.255 1.00 0.23 C ATOM 1353 C ILE B 28 -10.749 5.273 4.459 1.00 0.18 C ATOM 1354 O ILE B 28 -10.183 6.372 4.439 1.00 0.17 O ATOM 1355 CB ILE B 28 -10.752 3.609 2.629 1.00 0.31 C ATOM 1356 CG1 ILE B 28 -9.355 4.071 2.213 1.00 0.33 C ATOM 1357 CG2 ILE B 28 -11.506 3.025 1.441 1.00 0.40 C ATOM 1358 CD1 ILE B 28 -8.365 2.939 2.117 1.00 0.47 C ATOM 0 H ILE B 28 -10.950 6.195 1.831 1.00 0.22 H new ATOM 0 HA ILE B 28 -12.523 4.424 3.561 1.00 0.23 H new ATOM 0 HB ILE B 28 -10.646 2.824 3.378 1.00 0.31 H new ATOM 0 HG12 ILE B 28 -9.417 4.575 1.248 1.00 0.33 H new ATOM 0 HG13 ILE B 28 -8.991 4.804 2.933 1.00 0.33 H new ATOM 0 HG21 ILE B 28 -10.932 2.202 1.015 1.00 0.40 H new ATOM 0 HG22 ILE B 28 -12.477 2.657 1.772 1.00 0.40 H new ATOM 0 HG23 ILE B 28 -11.649 3.797 0.685 1.00 0.40 H new ATOM 0 HD11 ILE B 28 -7.393 3.330 1.818 1.00 0.47 H new ATOM 0 HD12 ILE B 28 -8.276 2.450 3.087 1.00 0.47 H new ATOM 0 HD13 ILE B 28 -8.709 2.217 1.376 1.00 0.47 H new ATOM 1370 N ALA B 29 -10.712 4.441 5.493 1.00 0.19 N ATOM 1371 CA ALA B 29 -9.939 4.710 6.698 1.00 0.18 C ATOM 1372 C ALA B 29 -10.060 3.554 7.664 1.00 0.19 C ATOM 1373 O ALA B 29 -11.083 2.882 7.697 1.00 0.21 O ATOM 1374 CB ALA B 29 -10.404 5.998 7.366 1.00 0.22 C ATOM 0 H ALA B 29 -11.220 3.557 5.519 1.00 0.19 H new ATOM 0 HA ALA B 29 -8.894 4.829 6.412 1.00 0.18 H new ATOM 0 HB1 ALA B 29 -9.812 6.177 8.263 1.00 0.22 H new ATOM 0 HB2 ALA B 29 -10.278 6.832 6.676 1.00 0.22 H new ATOM 0 HB3 ALA B 29 -11.456 5.908 7.638 1.00 0.22 H new ATOM 1380 N GLU B 30 -8.989 3.343 8.431 1.00 0.20 N ATOM 1381 CA GLU B 30 -8.920 2.356 9.506 1.00 0.22 C ATOM 1382 C GLU B 30 -9.680 1.050 9.246 1.00 0.24 C ATOM 1383 O GLU B 30 -9.104 0.081 8.757 1.00 0.25 O ATOM 1384 CB GLU B 30 -9.346 2.992 10.830 1.00 0.26 C ATOM 1385 CG GLU B 30 -10.381 4.097 10.702 1.00 0.28 C ATOM 1386 CD GLU B 30 -10.631 4.809 12.015 1.00 0.43 C ATOM 1387 OE1 GLU B 30 -11.393 4.275 12.847 1.00 1.12 O ATOM 1388 OE2 GLU B 30 -10.069 5.902 12.216 1.00 1.11 O ATOM 0 H GLU B 30 -8.123 3.869 8.317 1.00 0.20 H new ATOM 0 HA GLU B 30 -7.875 2.051 9.556 1.00 0.22 H new ATOM 0 HB2 GLU B 30 -9.745 2.213 11.479 1.00 0.26 H new ATOM 0 HB3 GLU B 30 -8.462 3.396 11.324 1.00 0.26 H new ATOM 0 HG2 GLU B 30 -10.047 4.820 9.958 1.00 0.28 H new ATOM 0 HG3 GLU B 30 -11.317 3.674 10.337 1.00 0.28 H new ATOM 1395 N LYS B 31 -10.959 1.024 9.582 1.00 0.26 N ATOM 1396 CA LYS B 31 -11.758 -0.191 9.490 1.00 0.30 C ATOM 1397 C LYS B 31 -12.140 -0.552 8.048 1.00 0.27 C ATOM 1398 O LYS B 31 -12.889 -1.505 7.829 1.00 0.33 O ATOM 1399 CB LYS B 31 -13.026 -0.027 10.322 1.00 0.37 C ATOM 1400 CG LYS B 31 -12.761 0.239 11.793 1.00 0.44 C ATOM 1401 CD LYS B 31 -12.126 -0.966 12.463 1.00 0.49 C ATOM 1402 CE LYS B 31 -10.662 -0.723 12.791 1.00 0.50 C ATOM 1403 NZ LYS B 31 -10.089 -1.827 13.606 1.00 0.65 N ATOM 0 H LYS B 31 -11.472 1.837 9.924 1.00 0.26 H new ATOM 0 HA LYS B 31 -11.144 -1.006 9.872 1.00 0.30 H new ATOM 0 HB2 LYS B 31 -13.614 0.795 9.914 1.00 0.37 H new ATOM 0 HB3 LYS B 31 -13.631 -0.929 10.228 1.00 0.37 H new ATOM 0 HG2 LYS B 31 -12.105 1.104 11.897 1.00 0.44 H new ATOM 0 HG3 LYS B 31 -13.696 0.486 12.295 1.00 0.44 H new ATOM 0 HD2 LYS B 31 -12.669 -1.201 13.378 1.00 0.49 H new ATOM 0 HD3 LYS B 31 -12.213 -1.833 11.809 1.00 0.49 H new ATOM 0 HE2 LYS B 31 -10.094 -0.621 11.866 1.00 0.50 H new ATOM 0 HE3 LYS B 31 -10.562 0.218 13.332 1.00 0.50 H new ATOM 0 HZ1 LYS B 31 -9.089 -1.625 13.810 1.00 0.65 H new ATOM 0 HZ2 LYS B 31 -10.615 -1.908 14.500 1.00 0.65 H new ATOM 0 HZ3 LYS B 31 -10.162 -2.721 13.080 1.00 0.65 H new ATOM 1417 N ASP B 32 -11.634 0.188 7.069 1.00 0.23 N ATOM 1418 CA ASP B 32 -12.006 -0.043 5.676 1.00 0.21 C ATOM 1419 C ASP B 32 -11.130 -1.101 5.031 1.00 0.19 C ATOM 1420 O ASP B 32 -10.162 -1.572 5.629 1.00 0.20 O ATOM 1421 CB ASP B 32 -11.922 1.238 4.856 1.00 0.25 C ATOM 1422 CG ASP B 32 -13.184 2.061 4.929 1.00 0.54 C ATOM 1423 OD1 ASP B 32 -14.181 1.687 4.274 1.00 1.37 O ATOM 1424 OD2 ASP B 32 -13.184 3.090 5.628 1.00 1.18 O ATOM 0 H ASP B 32 -10.969 0.949 7.211 1.00 0.23 H new ATOM 0 HA ASP B 32 -13.038 -0.394 5.687 1.00 0.21 H new ATOM 0 HB2 ASP B 32 -11.082 1.836 5.210 1.00 0.25 H new ATOM 0 HB3 ASP B 32 -11.718 0.986 3.816 1.00 0.25 H new ATOM 1429 N ALA B 33 -11.480 -1.466 3.808 1.00 0.18 N ATOM 1430 CA ALA B 33 -10.768 -2.499 3.081 1.00 0.19 C ATOM 1431 C ALA B 33 -10.134 -1.974 1.796 1.00 0.19 C ATOM 1432 O ALA B 33 -10.681 -1.100 1.117 1.00 0.22 O ATOM 1433 CB ALA B 33 -11.724 -3.632 2.769 1.00 0.22 C ATOM 0 H ALA B 33 -12.261 -1.056 3.296 1.00 0.18 H new ATOM 0 HA ALA B 33 -9.953 -2.855 3.711 1.00 0.19 H new ATOM 0 HB1 ALA B 33 -11.196 -4.413 2.222 1.00 0.22 H new ATOM 0 HB2 ALA B 33 -12.118 -4.043 3.699 1.00 0.22 H new ATOM 0 HB3 ALA B 33 -12.547 -3.257 2.161 1.00 0.22 H new ATOM 1439 N LEU B 34 -8.974 -2.522 1.481 1.00 0.19 N ATOM 1440 CA LEU B 34 -8.262 -2.240 0.248 1.00 0.19 C ATOM 1441 C LEU B 34 -8.002 -3.559 -0.450 1.00 0.20 C ATOM 1442 O LEU B 34 -7.892 -4.599 0.201 1.00 0.23 O ATOM 1443 CB LEU B 34 -6.928 -1.550 0.550 1.00 0.23 C ATOM 1444 CG LEU B 34 -6.993 -0.033 0.712 1.00 0.46 C ATOM 1445 CD1 LEU B 34 -5.711 0.493 1.343 1.00 1.23 C ATOM 1446 CD2 LEU B 34 -7.215 0.630 -0.636 1.00 0.85 C ATOM 0 H LEU B 34 -8.492 -3.187 2.086 1.00 0.19 H new ATOM 0 HA LEU B 34 -8.856 -1.578 -0.383 1.00 0.19 H new ATOM 0 HB2 LEU B 34 -6.517 -1.978 1.464 1.00 0.23 H new ATOM 0 HB3 LEU B 34 -6.229 -1.782 -0.253 1.00 0.23 H new ATOM 0 HG LEU B 34 -7.830 0.207 1.368 1.00 0.46 H new ATOM 0 HD11 LEU B 34 -5.776 1.576 1.450 1.00 1.23 H new ATOM 0 HD12 LEU B 34 -5.575 0.038 2.324 1.00 1.23 H new ATOM 0 HD13 LEU B 34 -4.863 0.242 0.707 1.00 1.23 H new ATOM 0 HD21 LEU B 34 -7.259 1.711 -0.507 1.00 0.85 H new ATOM 0 HD22 LEU B 34 -6.392 0.378 -1.305 1.00 0.85 H new ATOM 0 HD23 LEU B 34 -8.153 0.277 -1.065 1.00 0.85 H new ATOM 1458 N GLU B 35 -7.900 -3.517 -1.754 1.00 0.19 N ATOM 1459 CA GLU B 35 -7.691 -4.708 -2.543 1.00 0.20 C ATOM 1460 C GLU B 35 -6.254 -4.726 -3.051 1.00 0.19 C ATOM 1461 O GLU B 35 -5.894 -3.977 -3.961 1.00 0.20 O ATOM 1462 CB GLU B 35 -8.674 -4.726 -3.709 1.00 0.23 C ATOM 1463 CG GLU B 35 -8.966 -6.115 -4.222 1.00 0.78 C ATOM 1464 CD GLU B 35 -10.028 -6.117 -5.303 1.00 0.77 C ATOM 1465 OE1 GLU B 35 -9.738 -5.670 -6.428 1.00 1.30 O ATOM 1466 OE2 GLU B 35 -11.160 -6.573 -5.030 1.00 1.40 O ATOM 0 H GLU B 35 -7.959 -2.658 -2.300 1.00 0.19 H new ATOM 0 HA GLU B 35 -7.861 -5.595 -1.933 1.00 0.20 H new ATOM 0 HB2 GLU B 35 -9.607 -4.258 -3.396 1.00 0.23 H new ATOM 0 HB3 GLU B 35 -8.273 -4.122 -4.523 1.00 0.23 H new ATOM 0 HG2 GLU B 35 -8.050 -6.555 -4.615 1.00 0.78 H new ATOM 0 HG3 GLU B 35 -9.292 -6.745 -3.394 1.00 0.78 H new ATOM 1473 N ILE B 36 -5.436 -5.565 -2.441 1.00 0.20 N ATOM 1474 CA ILE B 36 -4.013 -5.602 -2.721 1.00 0.22 C ATOM 1475 C ILE B 36 -3.703 -6.586 -3.846 1.00 0.24 C ATOM 1476 O ILE B 36 -4.013 -7.774 -3.761 1.00 0.26 O ATOM 1477 CB ILE B 36 -3.199 -5.986 -1.455 1.00 0.25 C ATOM 1478 CG1 ILE B 36 -3.131 -4.824 -0.460 1.00 0.28 C ATOM 1479 CG2 ILE B 36 -1.792 -6.439 -1.818 1.00 0.29 C ATOM 1480 CD1 ILE B 36 -4.461 -4.463 0.155 1.00 0.25 C ATOM 0 H ILE B 36 -5.740 -6.239 -1.738 1.00 0.20 H new ATOM 0 HA ILE B 36 -3.720 -4.600 -3.034 1.00 0.22 H new ATOM 0 HB ILE B 36 -3.721 -6.817 -0.981 1.00 0.25 H new ATOM 0 HG12 ILE B 36 -2.432 -5.081 0.336 1.00 0.28 H new ATOM 0 HG13 ILE B 36 -2.727 -3.948 -0.968 1.00 0.28 H new ATOM 0 HG21 ILE B 36 -1.248 -6.701 -0.910 1.00 0.29 H new ATOM 0 HG22 ILE B 36 -1.847 -7.310 -2.471 1.00 0.29 H new ATOM 0 HG23 ILE B 36 -1.271 -5.632 -2.333 1.00 0.29 H new ATOM 0 HD11 ILE B 36 -4.328 -3.632 0.848 1.00 0.25 H new ATOM 0 HD12 ILE B 36 -5.158 -4.173 -0.631 1.00 0.25 H new ATOM 0 HD13 ILE B 36 -4.859 -5.324 0.693 1.00 0.25 H new ATOM 1492 N TYR B 37 -3.101 -6.070 -4.896 1.00 0.24 N ATOM 1493 CA TYR B 37 -2.694 -6.856 -6.040 1.00 0.24 C ATOM 1494 C TYR B 37 -1.215 -6.604 -6.332 1.00 0.18 C ATOM 1495 O TYR B 37 -0.661 -5.590 -5.906 1.00 0.23 O ATOM 1496 CB TYR B 37 -3.619 -6.522 -7.224 1.00 0.31 C ATOM 1497 CG TYR B 37 -3.007 -6.560 -8.608 1.00 1.09 C ATOM 1498 CD1 TYR B 37 -3.021 -7.724 -9.364 1.00 1.84 C ATOM 1499 CD2 TYR B 37 -2.454 -5.418 -9.176 1.00 2.07 C ATOM 1500 CE1 TYR B 37 -2.500 -7.752 -10.644 1.00 2.78 C ATOM 1501 CE2 TYR B 37 -1.924 -5.439 -10.451 1.00 3.02 C ATOM 1502 CZ TYR B 37 -1.952 -6.607 -11.181 1.00 3.21 C ATOM 1503 OH TYR B 37 -1.440 -6.628 -12.458 1.00 4.28 O ATOM 0 H TYR B 37 -2.878 -5.078 -4.980 1.00 0.24 H new ATOM 0 HA TYR B 37 -2.792 -7.924 -5.845 1.00 0.24 H new ATOM 0 HB2 TYR B 37 -4.457 -7.218 -7.205 1.00 0.31 H new ATOM 0 HB3 TYR B 37 -4.029 -5.525 -7.062 1.00 0.31 H new ATOM 0 HD1 TYR B 37 -3.447 -8.624 -8.945 1.00 1.84 H new ATOM 0 HD2 TYR B 37 -2.439 -4.498 -8.610 1.00 2.07 H new ATOM 0 HE1 TYR B 37 -2.522 -8.665 -11.220 1.00 2.78 H new ATOM 0 HE2 TYR B 37 -1.490 -4.545 -10.873 1.00 3.02 H new ATOM 0 HH TYR B 37 -1.093 -5.740 -12.686 1.00 4.28 H new ATOM 1513 N VAL B 38 -0.574 -7.527 -7.034 1.00 0.21 N ATOM 1514 CA VAL B 38 0.864 -7.438 -7.237 1.00 0.20 C ATOM 1515 C VAL B 38 1.198 -7.130 -8.693 1.00 0.20 C ATOM 1516 O VAL B 38 0.569 -7.656 -9.612 1.00 0.26 O ATOM 1517 CB VAL B 38 1.598 -8.721 -6.787 1.00 0.23 C ATOM 1518 CG1 VAL B 38 1.261 -9.907 -7.679 1.00 0.28 C ATOM 1519 CG2 VAL B 38 3.095 -8.464 -6.757 1.00 0.21 C ATOM 0 H VAL B 38 -1.020 -8.336 -7.467 1.00 0.21 H new ATOM 0 HA VAL B 38 1.215 -6.616 -6.613 1.00 0.20 H new ATOM 0 HB VAL B 38 1.260 -8.979 -5.783 1.00 0.23 H new ATOM 0 HG11 VAL B 38 1.797 -10.789 -7.329 1.00 0.28 H new ATOM 0 HG12 VAL B 38 0.188 -10.096 -7.643 1.00 0.28 H new ATOM 0 HG13 VAL B 38 1.556 -9.686 -8.705 1.00 0.28 H new ATOM 0 HG21 VAL B 38 3.613 -9.369 -6.440 1.00 0.21 H new ATOM 0 HG22 VAL B 38 3.436 -8.181 -7.753 1.00 0.21 H new ATOM 0 HG23 VAL B 38 3.312 -7.657 -6.057 1.00 0.21 H new ATOM 1529 N ASP B 39 2.174 -6.256 -8.893 1.00 0.18 N ATOM 1530 CA ASP B 39 2.597 -5.869 -10.232 1.00 0.22 C ATOM 1531 C ASP B 39 4.101 -6.042 -10.382 1.00 0.26 C ATOM 1532 O ASP B 39 4.863 -5.078 -10.304 1.00 0.29 O ATOM 1533 CB ASP B 39 2.176 -4.423 -10.531 1.00 0.24 C ATOM 1534 CG ASP B 39 2.492 -3.985 -11.950 1.00 0.39 C ATOM 1535 OD1 ASP B 39 2.139 -4.720 -12.899 1.00 1.07 O ATOM 1536 OD2 ASP B 39 3.070 -2.891 -12.126 1.00 1.12 O ATOM 0 H ASP B 39 2.690 -5.799 -8.141 1.00 0.18 H new ATOM 0 HA ASP B 39 2.106 -6.520 -10.956 1.00 0.22 H new ATOM 0 HB2 ASP B 39 1.105 -4.321 -10.357 1.00 0.24 H new ATOM 0 HB3 ASP B 39 2.678 -3.754 -9.832 1.00 0.24 H new ATOM 1541 N ASP B 40 4.496 -7.299 -10.571 1.00 0.30 N ATOM 1542 CA ASP B 40 5.900 -7.710 -10.722 1.00 0.36 C ATOM 1543 C ASP B 40 6.753 -7.324 -9.513 1.00 0.39 C ATOM 1544 O ASP B 40 7.052 -8.158 -8.654 1.00 0.46 O ATOM 1545 CB ASP B 40 6.518 -7.121 -11.991 1.00 0.48 C ATOM 1546 CG ASP B 40 7.744 -7.894 -12.438 1.00 0.92 C ATOM 1547 OD1 ASP B 40 8.843 -7.655 -11.901 1.00 1.64 O ATOM 1548 OD2 ASP B 40 7.614 -8.753 -13.336 1.00 1.59 O ATOM 0 H ASP B 40 3.841 -8.079 -10.625 1.00 0.30 H new ATOM 0 HA ASP B 40 5.891 -8.797 -10.797 1.00 0.36 H new ATOM 0 HB2 ASP B 40 5.777 -7.124 -12.790 1.00 0.48 H new ATOM 0 HB3 ASP B 40 6.791 -6.081 -11.812 1.00 0.48 H new ATOM 1553 N GLU B 41 7.139 -6.057 -9.467 1.00 0.45 N ATOM 1554 CA GLU B 41 8.022 -5.535 -8.432 1.00 0.58 C ATOM 1555 C GLU B 41 7.304 -4.498 -7.576 1.00 0.41 C ATOM 1556 O GLU B 41 7.808 -4.073 -6.535 1.00 0.46 O ATOM 1557 CB GLU B 41 9.251 -4.893 -9.086 1.00 0.87 C ATOM 1558 CG GLU B 41 9.065 -4.608 -10.573 1.00 1.33 C ATOM 1559 CD GLU B 41 9.851 -3.405 -11.054 1.00 1.98 C ATOM 1560 OE1 GLU B 41 11.098 -3.459 -11.060 1.00 2.10 O ATOM 1561 OE2 GLU B 41 9.222 -2.398 -11.441 1.00 2.81 O ATOM 0 H GLU B 41 6.847 -5.358 -10.150 1.00 0.45 H new ATOM 0 HA GLU B 41 8.329 -6.361 -7.791 1.00 0.58 H new ATOM 0 HB2 GLU B 41 9.482 -3.961 -8.571 1.00 0.87 H new ATOM 0 HB3 GLU B 41 10.109 -5.552 -8.954 1.00 0.87 H new ATOM 0 HG2 GLU B 41 9.369 -5.485 -11.145 1.00 1.33 H new ATOM 0 HG3 GLU B 41 8.006 -4.447 -10.776 1.00 1.33 H new ATOM 1568 N LYS B 42 6.127 -4.087 -8.027 1.00 0.34 N ATOM 1569 CA LYS B 42 5.370 -3.044 -7.358 1.00 0.31 C ATOM 1570 C LYS B 42 4.131 -3.623 -6.692 1.00 0.24 C ATOM 1571 O LYS B 42 3.646 -4.690 -7.074 1.00 0.27 O ATOM 1572 CB LYS B 42 4.947 -1.983 -8.366 1.00 0.44 C ATOM 1573 CG LYS B 42 6.102 -1.385 -9.155 1.00 0.84 C ATOM 1574 CD LYS B 42 5.726 -1.197 -10.616 1.00 0.92 C ATOM 1575 CE LYS B 42 4.536 -0.265 -10.779 1.00 0.48 C ATOM 1576 NZ LYS B 42 3.947 -0.368 -12.139 1.00 0.98 N ATOM 0 H LYS B 42 5.675 -4.465 -8.860 1.00 0.34 H new ATOM 0 HA LYS B 42 6.006 -2.595 -6.595 1.00 0.31 H new ATOM 0 HB2 LYS B 42 4.233 -2.422 -9.063 1.00 0.44 H new ATOM 0 HB3 LYS B 42 4.427 -1.183 -7.839 1.00 0.44 H new ATOM 0 HG2 LYS B 42 6.384 -0.425 -8.722 1.00 0.84 H new ATOM 0 HG3 LYS B 42 6.973 -2.036 -9.081 1.00 0.84 H new ATOM 0 HD2 LYS B 42 6.580 -0.795 -11.162 1.00 0.92 H new ATOM 0 HD3 LYS B 42 5.492 -2.165 -11.058 1.00 0.92 H new ATOM 0 HE2 LYS B 42 3.778 -0.507 -10.034 1.00 0.48 H new ATOM 0 HE3 LYS B 42 4.849 0.763 -10.594 1.00 0.48 H new ATOM 0 HZ1 LYS B 42 3.127 0.268 -12.211 1.00 0.98 H new ATOM 0 HZ2 LYS B 42 4.659 -0.097 -12.847 1.00 0.98 H new ATOM 0 HZ3 LYS B 42 3.642 -1.347 -12.312 1.00 0.98 H new ATOM 1590 N ILE B 43 3.622 -2.915 -5.701 1.00 0.20 N ATOM 1591 CA ILE B 43 2.408 -3.325 -5.024 1.00 0.19 C ATOM 1592 C ILE B 43 1.273 -2.372 -5.376 1.00 0.18 C ATOM 1593 O ILE B 43 1.467 -1.156 -5.412 1.00 0.20 O ATOM 1594 CB ILE B 43 2.591 -3.337 -3.502 1.00 0.24 C ATOM 1595 CG1 ILE B 43 3.913 -4.011 -3.133 1.00 0.31 C ATOM 1596 CG2 ILE B 43 1.422 -4.058 -2.851 1.00 0.28 C ATOM 1597 CD1 ILE B 43 4.380 -3.699 -1.730 1.00 0.42 C ATOM 0 H ILE B 43 4.032 -2.051 -5.347 1.00 0.20 H new ATOM 0 HA ILE B 43 2.170 -4.336 -5.355 1.00 0.19 H new ATOM 0 HB ILE B 43 2.618 -2.311 -3.136 1.00 0.24 H new ATOM 0 HG12 ILE B 43 3.803 -5.090 -3.239 1.00 0.31 H new ATOM 0 HG13 ILE B 43 4.681 -3.698 -3.841 1.00 0.31 H new ATOM 0 HG21 ILE B 43 1.555 -4.065 -1.769 1.00 0.28 H new ATOM 0 HG22 ILE B 43 0.494 -3.544 -3.099 1.00 0.28 H new ATOM 0 HG23 ILE B 43 1.377 -5.084 -3.217 1.00 0.28 H new ATOM 0 HD11 ILE B 43 5.323 -4.211 -1.538 1.00 0.42 H new ATOM 0 HD12 ILE B 43 4.523 -2.624 -1.625 1.00 0.42 H new ATOM 0 HD13 ILE B 43 3.631 -4.037 -1.014 1.00 0.42 H new ATOM 1609 N ILE B 44 0.097 -2.924 -5.631 1.00 0.17 N ATOM 1610 CA ILE B 44 -1.051 -2.128 -6.052 1.00 0.17 C ATOM 1611 C ILE B 44 -2.222 -2.350 -5.103 1.00 0.18 C ATOM 1612 O ILE B 44 -2.740 -3.453 -5.023 1.00 0.24 O ATOM 1613 CB ILE B 44 -1.525 -2.509 -7.477 1.00 0.21 C ATOM 1614 CG1 ILE B 44 -0.336 -2.753 -8.419 1.00 0.25 C ATOM 1615 CG2 ILE B 44 -2.442 -1.424 -8.035 1.00 0.25 C ATOM 1616 CD1 ILE B 44 0.555 -1.551 -8.621 1.00 0.25 C ATOM 0 H ILE B 44 -0.090 -3.924 -5.554 1.00 0.17 H new ATOM 0 HA ILE B 44 -0.731 -1.086 -6.043 1.00 0.17 H new ATOM 0 HB ILE B 44 -2.085 -3.442 -7.408 1.00 0.21 H new ATOM 0 HG12 ILE B 44 0.264 -3.572 -8.023 1.00 0.25 H new ATOM 0 HG13 ILE B 44 -0.716 -3.076 -9.388 1.00 0.25 H new ATOM 0 HG21 ILE B 44 -2.768 -1.703 -9.037 1.00 0.25 H new ATOM 0 HG22 ILE B 44 -3.312 -1.314 -7.387 1.00 0.25 H new ATOM 0 HG23 ILE B 44 -1.902 -0.479 -8.080 1.00 0.25 H new ATOM 0 HD11 ILE B 44 1.368 -1.811 -9.299 1.00 0.25 H new ATOM 0 HD12 ILE B 44 -0.027 -0.734 -9.048 1.00 0.25 H new ATOM 0 HD13 ILE B 44 0.968 -1.239 -7.662 1.00 0.25 H new ATOM 1628 N LEU B 45 -2.652 -1.324 -4.383 1.00 0.19 N ATOM 1629 CA LEU B 45 -3.839 -1.474 -3.541 1.00 0.20 C ATOM 1630 C LEU B 45 -4.946 -0.610 -4.098 1.00 0.21 C ATOM 1631 O LEU B 45 -4.857 0.619 -4.090 1.00 0.29 O ATOM 1632 CB LEU B 45 -3.648 -1.120 -2.043 1.00 0.36 C ATOM 1633 CG LEU B 45 -2.227 -0.931 -1.505 1.00 0.43 C ATOM 1634 CD1 LEU B 45 -1.373 -2.153 -1.775 1.00 1.29 C ATOM 1635 CD2 LEU B 45 -1.601 0.326 -2.073 1.00 1.22 C ATOM 0 H LEU B 45 -2.215 -0.403 -4.360 1.00 0.19 H new ATOM 0 HA LEU B 45 -4.077 -2.537 -3.566 1.00 0.20 H new ATOM 0 HB2 LEU B 45 -4.200 -0.200 -1.848 1.00 0.36 H new ATOM 0 HB3 LEU B 45 -4.122 -1.906 -1.455 1.00 0.36 H new ATOM 0 HG LEU B 45 -2.285 -0.811 -0.423 1.00 0.43 H new ATOM 0 HD11 LEU B 45 -0.370 -1.990 -1.382 1.00 1.29 H new ATOM 0 HD12 LEU B 45 -1.817 -3.022 -1.288 1.00 1.29 H new ATOM 0 HD13 LEU B 45 -1.318 -2.328 -2.849 1.00 1.29 H new ATOM 0 HD21 LEU B 45 -0.592 0.441 -1.677 1.00 1.22 H new ATOM 0 HD22 LEU B 45 -1.559 0.252 -3.160 1.00 1.22 H new ATOM 0 HD23 LEU B 45 -2.202 1.191 -1.791 1.00 1.22 H new ATOM 1647 N LYS B 46 -5.968 -1.252 -4.608 1.00 0.20 N ATOM 1648 CA LYS B 46 -7.132 -0.553 -5.091 1.00 0.25 C ATOM 1649 C LYS B 46 -8.232 -0.645 -4.052 1.00 0.29 C ATOM 1650 O LYS B 46 -8.525 -1.724 -3.569 1.00 0.52 O ATOM 1651 CB LYS B 46 -7.602 -1.156 -6.416 1.00 0.31 C ATOM 1652 CG LYS B 46 -8.842 -0.496 -6.991 1.00 0.63 C ATOM 1653 CD LYS B 46 -9.239 -1.148 -8.298 1.00 0.65 C ATOM 1654 CE LYS B 46 -9.683 -2.585 -8.073 1.00 0.97 C ATOM 1655 NZ LYS B 46 -10.122 -3.247 -9.329 1.00 1.22 N ATOM 0 H LYS B 46 -6.016 -2.267 -4.699 1.00 0.20 H new ATOM 0 HA LYS B 46 -6.881 0.494 -5.263 1.00 0.25 H new ATOM 0 HB2 LYS B 46 -6.794 -1.082 -7.144 1.00 0.31 H new ATOM 0 HB3 LYS B 46 -7.803 -2.217 -6.269 1.00 0.31 H new ATOM 0 HG2 LYS B 46 -9.663 -0.570 -6.278 1.00 0.63 H new ATOM 0 HG3 LYS B 46 -8.654 0.566 -7.151 1.00 0.63 H new ATOM 0 HD2 LYS B 46 -10.047 -0.582 -8.761 1.00 0.65 H new ATOM 0 HD3 LYS B 46 -8.397 -1.127 -8.990 1.00 0.65 H new ATOM 0 HE2 LYS B 46 -8.861 -3.152 -7.635 1.00 0.97 H new ATOM 0 HE3 LYS B 46 -10.501 -2.601 -7.352 1.00 0.97 H new ATOM 0 HZ1 LYS B 46 -10.415 -4.223 -9.123 1.00 1.22 H new ATOM 0 HZ2 LYS B 46 -10.924 -2.724 -9.735 1.00 1.22 H new ATOM 0 HZ3 LYS B 46 -9.335 -3.258 -10.009 1.00 1.22 H new ATOM 1669 N LYS B 47 -8.804 0.492 -3.690 1.00 0.23 N ATOM 1670 CA LYS B 47 -9.904 0.547 -2.724 1.00 0.25 C ATOM 1671 C LYS B 47 -10.950 -0.530 -3.008 1.00 0.26 C ATOM 1672 O LYS B 47 -11.282 -0.795 -4.169 1.00 0.28 O ATOM 1673 CB LYS B 47 -10.568 1.923 -2.816 1.00 0.31 C ATOM 1674 CG LYS B 47 -10.969 2.270 -4.248 1.00 1.18 C ATOM 1675 CD LYS B 47 -11.757 3.562 -4.352 1.00 1.15 C ATOM 1676 CE LYS B 47 -12.098 3.851 -5.806 1.00 2.19 C ATOM 1677 NZ LYS B 47 -12.942 5.060 -5.972 1.00 2.50 N ATOM 0 H LYS B 47 -8.524 1.403 -4.053 1.00 0.23 H new ATOM 0 HA LYS B 47 -9.499 0.375 -1.727 1.00 0.25 H new ATOM 0 HB2 LYS B 47 -11.451 1.943 -2.177 1.00 0.31 H new ATOM 0 HB3 LYS B 47 -9.883 2.682 -2.437 1.00 0.31 H new ATOM 0 HG2 LYS B 47 -10.071 2.349 -4.861 1.00 1.18 H new ATOM 0 HG3 LYS B 47 -11.564 1.455 -4.659 1.00 1.18 H new ATOM 0 HD2 LYS B 47 -12.672 3.487 -3.764 1.00 1.15 H new ATOM 0 HD3 LYS B 47 -11.177 4.385 -3.936 1.00 1.15 H new ATOM 0 HE2 LYS B 47 -11.175 3.978 -6.372 1.00 2.19 H new ATOM 0 HE3 LYS B 47 -12.616 2.991 -6.230 1.00 2.19 H new ATOM 0 HZ1 LYS B 47 -13.142 5.208 -6.982 1.00 2.50 H new ATOM 0 HZ2 LYS B 47 -13.836 4.933 -5.457 1.00 2.50 H new ATOM 0 HZ3 LYS B 47 -12.440 5.889 -5.594 1.00 2.50 H new ATOM 1691 N TYR B 48 -11.451 -1.157 -1.952 1.00 0.33 N ATOM 1692 CA TYR B 48 -12.542 -2.097 -2.094 1.00 0.40 C ATOM 1693 C TYR B 48 -13.750 -1.366 -2.655 1.00 0.51 C ATOM 1694 O TYR B 48 -14.029 -0.233 -2.260 1.00 0.62 O ATOM 1695 CB TYR B 48 -12.881 -2.734 -0.746 1.00 0.54 C ATOM 1696 CG TYR B 48 -13.961 -3.790 -0.830 1.00 1.10 C ATOM 1697 CD1 TYR B 48 -13.683 -5.049 -1.345 1.00 2.03 C ATOM 1698 CD2 TYR B 48 -15.260 -3.525 -0.410 1.00 1.59 C ATOM 1699 CE1 TYR B 48 -14.665 -6.015 -1.437 1.00 2.67 C ATOM 1700 CE2 TYR B 48 -16.248 -4.486 -0.499 1.00 2.26 C ATOM 1701 CZ TYR B 48 -15.945 -5.730 -1.014 1.00 2.61 C ATOM 1702 OH TYR B 48 -16.927 -6.689 -1.108 1.00 3.39 O ATOM 0 H TYR B 48 -11.119 -1.030 -0.996 1.00 0.33 H new ATOM 0 HA TYR B 48 -12.248 -2.895 -2.776 1.00 0.40 H new ATOM 0 HB2 TYR B 48 -11.979 -3.181 -0.328 1.00 0.54 H new ATOM 0 HB3 TYR B 48 -13.200 -1.954 -0.055 1.00 0.54 H new ATOM 0 HD1 TYR B 48 -12.682 -5.277 -1.679 1.00 2.03 H new ATOM 0 HD2 TYR B 48 -15.500 -2.552 -0.008 1.00 1.59 H new ATOM 0 HE1 TYR B 48 -14.431 -6.990 -1.839 1.00 2.67 H new ATOM 0 HE2 TYR B 48 -17.252 -4.265 -0.167 1.00 2.26 H new ATOM 0 HH TYR B 48 -17.771 -6.327 -0.766 1.00 3.39 H new ATOM 1712 N LYS B 49 -14.446 -2.001 -3.581 1.00 0.59 N ATOM 1713 CA LYS B 49 -15.575 -1.376 -4.240 1.00 0.75 C ATOM 1714 C LYS B 49 -16.720 -1.175 -3.246 1.00 0.78 C ATOM 1715 O LYS B 49 -17.290 -2.143 -2.740 1.00 0.80 O ATOM 1716 CB LYS B 49 -16.023 -2.247 -5.413 1.00 0.90 C ATOM 1717 CG LYS B 49 -16.860 -1.505 -6.442 1.00 1.18 C ATOM 1718 CD LYS B 49 -16.084 -0.362 -7.074 1.00 1.37 C ATOM 1719 CE LYS B 49 -15.018 -0.878 -8.023 1.00 2.26 C ATOM 1720 NZ LYS B 49 -14.220 0.228 -8.614 1.00 3.18 N ATOM 0 H LYS B 49 -14.247 -2.952 -3.893 1.00 0.59 H new ATOM 0 HA LYS B 49 -15.280 -0.398 -4.619 1.00 0.75 H new ATOM 0 HB2 LYS B 49 -15.142 -2.660 -5.904 1.00 0.90 H new ATOM 0 HB3 LYS B 49 -16.598 -3.089 -5.029 1.00 0.90 H new ATOM 0 HG2 LYS B 49 -17.183 -2.199 -7.218 1.00 1.18 H new ATOM 0 HG3 LYS B 49 -17.761 -1.116 -5.967 1.00 1.18 H new ATOM 0 HD2 LYS B 49 -16.770 0.291 -7.614 1.00 1.37 H new ATOM 0 HD3 LYS B 49 -15.619 0.240 -6.293 1.00 1.37 H new ATOM 0 HE2 LYS B 49 -14.355 -1.559 -7.489 1.00 2.26 H new ATOM 0 HE3 LYS B 49 -15.489 -1.452 -8.821 1.00 2.26 H new ATOM 0 HZ1 LYS B 49 -13.503 -0.166 -9.256 1.00 3.18 H new ATOM 0 HZ2 LYS B 49 -14.848 0.864 -9.145 1.00 3.18 H new ATOM 0 HZ3 LYS B 49 -13.750 0.761 -7.855 1.00 3.18 H new ATOM 1734 N PRO B 50 -17.056 0.092 -2.940 1.00 0.90 N ATOM 1735 CA PRO B 50 -18.064 0.419 -1.927 1.00 1.05 C ATOM 1736 C PRO B 50 -19.466 0.007 -2.357 1.00 1.10 C ATOM 1737 O PRO B 50 -20.254 -0.494 -1.552 1.00 1.56 O ATOM 1738 CB PRO B 50 -17.961 1.940 -1.786 1.00 1.24 C ATOM 1739 CG PRO B 50 -17.371 2.412 -3.069 1.00 1.24 C ATOM 1740 CD PRO B 50 -16.481 1.301 -3.561 1.00 1.01 C ATOM 0 HA PRO B 50 -17.888 -0.112 -0.991 1.00 1.05 H new ATOM 0 HB2 PRO B 50 -18.940 2.387 -1.615 1.00 1.24 H new ATOM 0 HB3 PRO B 50 -17.333 2.215 -0.939 1.00 1.24 H new ATOM 0 HG2 PRO B 50 -18.151 2.636 -3.796 1.00 1.24 H new ATOM 0 HG3 PRO B 50 -16.801 3.329 -2.920 1.00 1.24 H new ATOM 0 HD2 PRO B 50 -16.488 1.234 -4.649 1.00 1.01 H new ATOM 0 HD3 PRO B 50 -15.445 1.453 -3.257 1.00 1.01 H new ATOM 1748 N ASN B 51 -19.772 0.220 -3.628 1.00 1.47 N ATOM 1749 CA ASN B 51 -21.039 -0.196 -4.192 1.00 1.62 C ATOM 1750 C ASN B 51 -20.811 -1.378 -5.118 1.00 2.01 C ATOM 1751 O ASN B 51 -19.880 -1.366 -5.918 1.00 2.92 O ATOM 1752 CB ASN B 51 -21.670 0.960 -4.958 1.00 2.69 C ATOM 1753 CG ASN B 51 -23.024 0.600 -5.541 1.00 3.07 C ATOM 1754 OD1 ASN B 51 -23.754 -0.222 -4.987 1.00 2.96 O ATOM 1755 ND2 ASN B 51 -23.374 1.219 -6.657 1.00 3.92 N ATOM 0 H ASN B 51 -19.151 0.684 -4.291 1.00 1.47 H new ATOM 0 HA ASN B 51 -21.716 -0.493 -3.391 1.00 1.62 H new ATOM 0 HB2 ASN B 51 -21.781 1.816 -4.292 1.00 2.69 H new ATOM 0 HB3 ASN B 51 -21.001 1.267 -5.762 1.00 2.69 H new ATOM 0 HD21 ASN B 51 -24.277 1.021 -7.088 1.00 3.92 H new ATOM 0 HD22 ASN B 51 -22.741 1.894 -7.086 1.00 3.92 H new ATOM 1762 N MET B 52 -21.654 -2.394 -5.016 1.00 1.97 N ATOM 1763 CA MET B 52 -21.457 -3.607 -5.795 1.00 2.96 C ATOM 1764 C MET B 52 -21.980 -3.441 -7.214 1.00 3.28 C ATOM 1765 O MET B 52 -23.177 -3.246 -7.437 1.00 3.05 O ATOM 1766 CB MET B 52 -22.101 -4.818 -5.110 1.00 3.55 C ATOM 1767 CG MET B 52 -23.600 -4.702 -4.894 1.00 3.74 C ATOM 1768 SD MET B 52 -24.296 -6.191 -4.155 1.00 4.43 S ATOM 1769 CE MET B 52 -23.761 -7.430 -5.336 1.00 5.19 C ATOM 0 H MET B 52 -22.473 -2.404 -4.408 1.00 1.97 H new ATOM 0 HA MET B 52 -20.384 -3.789 -5.854 1.00 2.96 H new ATOM 0 HB2 MET B 52 -21.902 -5.706 -5.710 1.00 3.55 H new ATOM 0 HB3 MET B 52 -21.619 -4.971 -4.144 1.00 3.55 H new ATOM 0 HG2 MET B 52 -23.808 -3.847 -4.250 1.00 3.74 H new ATOM 0 HG3 MET B 52 -24.089 -4.509 -5.849 1.00 3.74 H new ATOM 0 HE1 MET B 52 -24.503 -8.227 -5.388 1.00 5.19 H new ATOM 0 HE2 MET B 52 -23.651 -6.972 -6.319 1.00 5.19 H new ATOM 0 HE3 MET B 52 -22.804 -7.845 -5.020 1.00 5.19 H new ATOM 1779 N THR B 53 -21.068 -3.509 -8.170 1.00 4.10 N ATOM 1780 CA THR B 53 -21.415 -3.337 -9.567 1.00 4.64 C ATOM 1781 C THR B 53 -20.373 -4.013 -10.465 1.00 5.71 C ATOM 1782 O THR B 53 -19.227 -3.525 -10.549 1.00 6.18 O ATOM 1783 CB THR B 53 -21.590 -1.830 -9.915 1.00 4.91 C ATOM 1784 OG1 THR B 53 -21.894 -1.653 -11.304 1.00 5.31 O ATOM 1785 CG2 THR B 53 -20.354 -1.016 -9.551 1.00 5.10 C ATOM 1786 OXT THR B 53 -20.699 -5.061 -11.064 1.00 6.34 O ATOM 0 H THR B 53 -20.077 -3.683 -8.000 1.00 4.10 H new ATOM 0 HA THR B 53 -22.374 -3.822 -9.750 1.00 4.64 H new ATOM 0 HB THR B 53 -22.426 -1.465 -9.319 1.00 4.91 H new ATOM 0 HG1 THR B 53 -22.001 -0.698 -11.496 1.00 5.31 H new ATOM 0 HG21 THR B 53 -20.518 0.030 -9.810 1.00 5.10 H new ATOM 0 HG22 THR B 53 -20.166 -1.099 -8.481 1.00 5.10 H new ATOM 0 HG23 THR B 53 -19.493 -1.396 -10.102 1.00 5.10 H new TER 1794 THR B 53