USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 209 ASN : amide:sc= -3.66! K(o=-3.4!,f=0.98) USER MOD Set 1.2: A 211 THR OG1 : rot 180:sc= 0.219 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 MET CE :methyl 165:sc= -0.0912 (180deg=-0.463) USER MOD Single : A 212 THR OG1 : rot -160:sc= -0.906 USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 225 CYS SG : rot 85:sc= 0.945 USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 SER OG : rot 180:sc= -0.132 USER MOD Single : A 239 MET CE :methyl -162:sc= -0.12 (180deg=-0.605) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -19.998 3.222 17.590 1.00 11.27 N ATOM 2 CA GLY A 204 -19.961 3.409 16.112 1.00 10.74 C ATOM 3 C GLY A 204 -19.796 2.099 15.367 1.00 10.08 C ATOM 4 O GLY A 204 -18.774 1.426 15.503 1.00 10.33 O ATOM 0 HA2 GLY A 204 -20.881 3.895 15.787 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -19.139 4.077 15.854 1.00 10.74 H new ATOM 10 N SER A 205 -20.804 1.737 14.581 1.00 9.44 N ATOM 11 CA SER A 205 -20.767 0.497 13.813 1.00 8.98 C ATOM 12 C SER A 205 -21.461 0.668 12.465 1.00 8.39 C ATOM 13 O SER A 205 -22.540 1.254 12.383 1.00 8.34 O ATOM 14 CB SER A 205 -21.430 -0.635 14.599 1.00 9.23 C ATOM 15 OG SER A 205 -20.740 -0.888 15.810 1.00 10.03 O ATOM 0 H SER A 205 -21.656 2.284 14.459 1.00 9.44 H new ATOM 0 HA SER A 205 -19.722 0.243 13.634 1.00 8.98 H new ATOM 0 HB2 SER A 205 -22.466 -0.374 14.815 1.00 9.23 H new ATOM 0 HB3 SER A 205 -21.450 -1.540 13.992 1.00 9.23 H new ATOM 0 HG SER A 205 -21.185 -1.615 16.294 1.00 10.03 H new ATOM 21 N PHE A 206 -20.827 0.151 11.413 1.00 8.19 N ATOM 22 CA PHE A 206 -21.374 0.239 10.063 1.00 7.85 C ATOM 23 C PHE A 206 -21.535 1.693 9.628 1.00 7.28 C ATOM 24 O PHE A 206 -22.491 2.366 10.013 1.00 7.58 O ATOM 25 CB PHE A 206 -22.724 -0.482 9.988 1.00 8.48 C ATOM 26 CG PHE A 206 -23.233 -0.664 8.586 1.00 8.90 C ATOM 27 CD1 PHE A 206 -23.958 0.342 7.965 1.00 9.52 C ATOM 28 CD2 PHE A 206 -22.986 -1.836 7.890 1.00 8.94 C ATOM 29 CE1 PHE A 206 -24.428 0.179 6.675 1.00 10.16 C ATOM 30 CE2 PHE A 206 -23.455 -2.004 6.600 1.00 9.58 C ATOM 31 CZ PHE A 206 -24.175 -1.001 5.992 1.00 10.18 C ATOM 0 H PHE A 206 -19.932 -0.334 11.472 1.00 8.19 H new ATOM 0 HA PHE A 206 -20.672 -0.245 9.384 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -22.631 -1.459 10.461 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -23.460 0.081 10.562 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -24.157 1.262 8.494 1.00 9.52 H new ATOM 0 HD2 PHE A 206 -22.421 -2.627 8.360 1.00 8.94 H new ATOM 0 HE1 PHE A 206 -24.991 0.969 6.200 1.00 10.16 H new ATOM 0 HE2 PHE A 206 -23.256 -2.923 6.069 1.00 9.58 H new ATOM 0 HZ PHE A 206 -24.542 -1.133 4.985 1.00 10.18 H new ATOM 41 N THR A 207 -20.595 2.169 8.819 1.00 6.75 N ATOM 42 CA THR A 207 -20.629 3.543 8.331 1.00 6.52 C ATOM 43 C THR A 207 -20.751 3.581 6.810 1.00 5.52 C ATOM 44 O THR A 207 -21.585 4.302 6.262 1.00 5.53 O ATOM 45 CB THR A 207 -19.372 4.324 8.758 1.00 7.16 C ATOM 46 OG1 THR A 207 -19.223 4.270 10.182 1.00 7.94 O ATOM 47 CG2 THR A 207 -19.458 5.776 8.310 1.00 7.52 C ATOM 0 H THR A 207 -19.800 1.623 8.487 1.00 6.75 H new ATOM 0 HA THR A 207 -21.505 4.016 8.775 1.00 6.52 H new ATOM 0 HB THR A 207 -18.506 3.863 8.282 1.00 7.16 H new ATOM 0 HG1 THR A 207 -18.421 4.767 10.446 1.00 7.94 H new ATOM 0 HG21 THR A 207 -18.559 6.307 8.623 1.00 7.52 H new ATOM 0 HG22 THR A 207 -19.544 5.817 7.224 1.00 7.52 H new ATOM 0 HG23 THR A 207 -20.332 6.245 8.762 1.00 7.52 H new ATOM 55 N MET A 208 -19.911 2.801 6.134 1.00 4.97 N ATOM 56 CA MET A 208 -19.925 2.744 4.676 1.00 4.29 C ATOM 57 C MET A 208 -20.274 1.337 4.192 1.00 3.61 C ATOM 58 O MET A 208 -20.145 0.366 4.938 1.00 3.96 O ATOM 59 CB MET A 208 -18.564 3.170 4.120 1.00 4.65 C ATOM 60 CG MET A 208 -18.541 3.320 2.606 1.00 5.27 C ATOM 61 SD MET A 208 -19.781 4.482 2.004 1.00 5.92 S ATOM 62 CE MET A 208 -19.300 5.976 2.868 1.00 6.74 C ATOM 0 H MET A 208 -19.213 2.200 6.573 1.00 4.97 H new ATOM 0 HA MET A 208 -20.689 3.431 4.312 1.00 4.29 H new ATOM 0 HB2 MET A 208 -18.277 4.118 4.574 1.00 4.65 H new ATOM 0 HB3 MET A 208 -17.815 2.435 4.415 1.00 4.65 H new ATOM 0 HG2 MET A 208 -17.552 3.655 2.293 1.00 5.27 H new ATOM 0 HG3 MET A 208 -18.708 2.346 2.146 1.00 5.27 H new ATOM 0 HE1 MET A 208 -19.790 6.835 2.410 1.00 6.74 H new ATOM 0 HE2 MET A 208 -19.598 5.903 3.914 1.00 6.74 H new ATOM 0 HE3 MET A 208 -18.219 6.100 2.806 1.00 6.74 H new ATOM 72 N ASN A 209 -20.719 1.236 2.943 1.00 3.19 N ATOM 73 CA ASN A 209 -21.092 -0.050 2.363 1.00 3.10 C ATOM 74 C ASN A 209 -19.859 -0.828 1.905 1.00 2.76 C ATOM 75 O ASN A 209 -18.757 -0.619 2.413 1.00 3.19 O ATOM 76 CB ASN A 209 -22.052 0.162 1.188 1.00 3.66 C ATOM 77 CG ASN A 209 -21.410 0.915 0.040 1.00 4.37 C ATOM 78 OD1 ASN A 209 -21.401 2.146 0.019 1.00 4.83 O ATOM 79 ND2 ASN A 209 -20.877 0.179 -0.927 1.00 4.91 N ATOM 0 H ASN A 209 -20.830 2.030 2.313 1.00 3.19 H new ATOM 0 HA ASN A 209 -21.593 -0.637 3.133 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -22.403 -0.806 0.831 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -22.928 0.711 1.534 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -20.437 0.631 -1.729 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -20.907 -0.839 -0.869 1.00 4.91 H new ATOM 86 N ASP A 210 -20.056 -1.730 0.946 1.00 2.20 N ATOM 87 CA ASP A 210 -18.968 -2.547 0.416 1.00 1.85 C ATOM 88 C ASP A 210 -17.852 -1.688 -0.176 1.00 1.67 C ATOM 89 O ASP A 210 -16.766 -2.187 -0.470 1.00 1.70 O ATOM 90 CB ASP A 210 -19.505 -3.498 -0.651 1.00 1.87 C ATOM 91 CG ASP A 210 -20.252 -4.676 -0.059 1.00 2.29 C ATOM 92 OD1 ASP A 210 -21.449 -4.519 0.263 1.00 2.79 O ATOM 93 OD2 ASP A 210 -19.640 -5.757 0.085 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.964 -1.914 0.519 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.549 -3.118 1.244 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -20.169 -2.950 -1.320 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -18.676 -3.865 -1.256 1.00 1.87 H new ATOM 98 N THR A 211 -18.126 -0.403 -0.359 1.00 1.54 N ATOM 99 CA THR A 211 -17.144 0.518 -0.919 1.00 1.39 C ATOM 100 C THR A 211 -15.823 0.456 -0.156 1.00 1.19 C ATOM 101 O THR A 211 -14.783 0.137 -0.733 1.00 1.05 O ATOM 102 CB THR A 211 -17.663 1.970 -0.905 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.882 2.061 -1.652 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.631 2.923 -1.492 1.00 1.34 C ATOM 0 H THR A 211 -19.022 0.026 -0.127 1.00 1.54 H new ATOM 0 HA THR A 211 -16.977 0.207 -1.950 1.00 1.39 H new ATOM 0 HB THR A 211 -17.848 2.255 0.131 1.00 1.44 H new ATOM 0 HG1 THR A 211 -19.206 2.986 -1.637 1.00 1.62 H new ATOM 0 HG21 THR A 211 -17.022 3.940 -1.471 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.714 2.874 -0.904 1.00 1.34 H new ATOM 0 HG23 THR A 211 -16.417 2.638 -2.522 1.00 1.34 H new ATOM 112 N THR A 212 -15.875 0.754 1.140 1.00 1.20 N ATOM 113 CA THR A 212 -14.681 0.751 1.984 1.00 1.06 C ATOM 114 C THR A 212 -13.904 -0.559 1.867 1.00 0.95 C ATOM 115 O THR A 212 -12.683 -0.574 2.023 1.00 0.80 O ATOM 116 CB THR A 212 -15.042 0.993 3.462 1.00 1.16 C ATOM 117 OG1 THR A 212 -15.726 2.242 3.600 1.00 1.30 O ATOM 118 CG2 THR A 212 -13.796 0.997 4.336 1.00 1.05 C ATOM 0 H THR A 212 -16.734 1.002 1.631 1.00 1.20 H new ATOM 0 HA THR A 212 -14.049 1.565 1.628 1.00 1.06 H new ATOM 0 HB THR A 212 -15.692 0.181 3.788 1.00 1.16 H new ATOM 0 HG1 THR A 212 -15.673 2.543 4.531 1.00 1.30 H new ATOM 0 HG21 THR A 212 -14.080 1.170 5.374 1.00 1.05 H new ATOM 0 HG22 THR A 212 -13.291 0.035 4.254 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.123 1.789 4.007 1.00 1.05 H new ATOM 126 N VAL A 213 -14.608 -1.656 1.593 1.00 1.07 N ATOM 127 CA VAL A 213 -13.960 -2.958 1.459 1.00 1.04 C ATOM 128 C VAL A 213 -12.801 -2.883 0.470 1.00 0.87 C ATOM 129 O VAL A 213 -11.766 -3.520 0.662 1.00 0.79 O ATOM 130 CB VAL A 213 -14.954 -4.041 0.995 1.00 1.21 C ATOM 131 CG1 VAL A 213 -14.279 -5.403 0.943 1.00 1.21 C ATOM 132 CG2 VAL A 213 -16.169 -4.074 1.906 1.00 1.41 C ATOM 0 H VAL A 213 -15.619 -1.669 1.460 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.582 -3.232 2.444 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.289 -3.792 -0.012 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -14.998 -6.153 0.613 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -13.444 -5.369 0.243 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.911 -5.665 1.935 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.860 -4.844 1.563 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -15.854 -4.297 2.925 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.667 -3.104 1.884 1.00 1.41 H new ATOM 142 N TRP A 214 -12.986 -2.100 -0.588 1.00 0.85 N ATOM 143 CA TRP A 214 -11.955 -1.931 -1.603 1.00 0.74 C ATOM 144 C TRP A 214 -10.948 -0.870 -1.175 1.00 0.59 C ATOM 145 O TRP A 214 -9.769 -0.949 -1.514 1.00 0.51 O ATOM 146 CB TRP A 214 -12.580 -1.544 -2.943 1.00 0.83 C ATOM 147 CG TRP A 214 -13.744 -2.406 -3.324 1.00 1.03 C ATOM 148 CD1 TRP A 214 -15.067 -2.126 -3.137 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.690 -3.690 -3.954 1.00 1.11 C ATOM 150 NE1 TRP A 214 -15.838 -3.157 -3.614 1.00 1.37 N ATOM 151 CE2 TRP A 214 -15.018 -4.130 -4.120 1.00 1.31 C ATOM 152 CE3 TRP A 214 -12.648 -4.512 -4.394 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -15.329 -5.352 -4.711 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -12.959 -5.726 -4.980 1.00 1.26 C ATOM 155 CH2 TRP A 214 -14.289 -6.135 -5.133 1.00 1.42 C ATOM 0 H TRP A 214 -13.841 -1.573 -0.764 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.435 -2.882 -1.718 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -12.906 -0.505 -2.898 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.820 -1.606 -3.722 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.451 -1.226 -2.681 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -16.857 -3.192 -3.595 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.619 -4.205 -4.278 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -16.354 -5.670 -4.832 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -12.163 -6.369 -5.325 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -14.499 -7.089 -5.594 1.00 1.42 H new ATOM 166 N ILE A 215 -11.425 0.129 -0.432 1.00 0.61 N ATOM 167 CA ILE A 215 -10.560 1.201 0.052 1.00 0.53 C ATOM 168 C ILE A 215 -9.417 0.622 0.875 1.00 0.42 C ATOM 169 O ILE A 215 -8.270 1.052 0.749 1.00 0.33 O ATOM 170 CB ILE A 215 -11.346 2.232 0.897 1.00 0.64 C ATOM 171 CG1 ILE A 215 -12.085 3.221 -0.010 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.420 2.979 1.846 1.00 0.60 C ATOM 173 CD1 ILE A 215 -13.152 2.585 -0.875 1.00 0.91 C ATOM 0 H ILE A 215 -12.402 0.217 -0.154 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.157 1.718 -0.819 1.00 0.53 H new ATOM 0 HB ILE A 215 -12.079 1.688 1.492 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.545 3.991 0.609 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.360 3.720 -0.653 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -10.998 3.697 2.428 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -9.940 2.269 2.519 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.659 3.506 1.271 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.628 3.351 -1.487 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.697 1.835 -1.522 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.900 2.111 -0.240 1.00 0.91 H new ATOM 185 N SER A 216 -9.738 -0.351 1.722 1.00 0.46 N ATOM 186 CA SER A 216 -8.729 -0.999 2.546 1.00 0.40 C ATOM 187 C SER A 216 -7.655 -1.598 1.652 1.00 0.29 C ATOM 188 O SER A 216 -6.473 -1.610 1.996 1.00 0.24 O ATOM 189 CB SER A 216 -9.362 -2.089 3.411 1.00 0.49 C ATOM 190 OG SER A 216 -10.353 -1.549 4.268 1.00 1.35 O ATOM 0 H SER A 216 -10.685 -0.705 1.854 1.00 0.46 H new ATOM 0 HA SER A 216 -8.279 -0.257 3.206 1.00 0.40 H new ATOM 0 HB2 SER A 216 -9.806 -2.852 2.772 1.00 0.49 H new ATOM 0 HB3 SER A 216 -8.591 -2.580 4.005 1.00 0.49 H new ATOM 0 HG SER A 216 -10.744 -2.267 4.809 1.00 1.35 H new ATOM 196 N VAL A 217 -8.089 -2.092 0.494 1.00 0.31 N ATOM 197 CA VAL A 217 -7.188 -2.684 -0.482 1.00 0.26 C ATOM 198 C VAL A 217 -6.427 -1.598 -1.232 1.00 0.19 C ATOM 199 O VAL A 217 -5.294 -1.800 -1.667 1.00 0.19 O ATOM 200 CB VAL A 217 -7.967 -3.550 -1.491 1.00 0.38 C ATOM 201 CG1 VAL A 217 -7.034 -4.110 -2.551 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.703 -4.669 -0.774 1.00 0.48 C ATOM 0 H VAL A 217 -9.069 -2.092 0.211 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.481 -3.315 0.056 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.704 -2.920 -1.989 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.604 -4.718 -3.253 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.557 -3.289 -3.086 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.270 -4.725 -2.075 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.248 -5.271 -1.501 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -7.985 -5.298 -0.248 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.405 -4.242 -0.058 1.00 0.48 H new ATOM 212 N ALA A 218 -7.068 -0.443 -1.375 1.00 0.21 N ATOM 213 CA ALA A 218 -6.471 0.690 -2.066 1.00 0.21 C ATOM 214 C ALA A 218 -5.168 1.104 -1.396 1.00 0.14 C ATOM 215 O ALA A 218 -4.170 1.383 -2.063 1.00 0.18 O ATOM 216 CB ALA A 218 -7.445 1.858 -2.090 1.00 0.27 C ATOM 0 H ALA A 218 -8.007 -0.268 -1.018 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.249 0.392 -3.091 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -6.989 2.701 -2.609 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.356 1.561 -2.610 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.689 2.150 -1.068 1.00 0.27 H new ATOM 222 N VAL A 219 -5.186 1.133 -0.070 1.00 0.10 N ATOM 223 CA VAL A 219 -4.015 1.516 0.704 1.00 0.14 C ATOM 224 C VAL A 219 -2.894 0.495 0.551 1.00 0.17 C ATOM 225 O VAL A 219 -1.728 0.865 0.418 1.00 0.25 O ATOM 226 CB VAL A 219 -4.362 1.675 2.194 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.183 2.251 2.961 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.588 2.558 2.360 1.00 0.20 C ATOM 0 H VAL A 219 -6.003 0.895 0.493 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.674 2.475 0.315 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.586 0.690 2.602 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.449 2.356 4.013 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.327 1.583 2.868 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.926 3.229 2.553 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.821 2.661 3.420 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.388 3.542 1.935 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.435 2.105 1.844 1.00 0.20 H new ATOM 238 N LEU A 220 -3.251 -0.789 0.566 1.00 0.15 N ATOM 239 CA LEU A 220 -2.265 -1.859 0.425 1.00 0.20 C ATOM 240 C LEU A 220 -1.422 -1.643 -0.818 1.00 0.21 C ATOM 241 O LEU A 220 -0.206 -1.828 -0.795 1.00 0.26 O ATOM 242 CB LEU A 220 -2.951 -3.222 0.349 1.00 0.20 C ATOM 243 CG LEU A 220 -4.129 -3.407 1.299 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.695 -4.814 1.185 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.713 -3.109 2.733 1.00 0.27 C ATOM 0 H LEU A 220 -4.212 -1.112 0.674 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.619 -1.839 1.303 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.299 -3.380 -0.672 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.212 -3.996 0.557 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.910 -2.702 1.016 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.535 -4.925 1.871 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -5.035 -4.988 0.164 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -3.921 -5.539 1.438 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.567 -3.247 3.396 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.912 -3.787 3.028 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.361 -2.080 2.803 1.00 0.27 H new ATOM 257 N SER A 221 -2.080 -1.256 -1.903 1.00 0.20 N ATOM 258 CA SER A 221 -1.387 -1.002 -3.159 1.00 0.25 C ATOM 259 C SER A 221 -0.267 0.005 -2.938 1.00 0.28 C ATOM 260 O SER A 221 0.827 -0.135 -3.486 1.00 0.33 O ATOM 261 CB SER A 221 -2.363 -0.482 -4.216 1.00 0.27 C ATOM 262 OG SER A 221 -1.708 -0.265 -5.455 1.00 1.14 O ATOM 0 H SER A 221 -3.089 -1.112 -1.939 1.00 0.20 H new ATOM 0 HA SER A 221 -0.959 -1.938 -3.517 1.00 0.25 H new ATOM 0 HB2 SER A 221 -3.173 -1.198 -4.350 1.00 0.27 H new ATOM 0 HB3 SER A 221 -2.814 0.449 -3.872 1.00 0.27 H new ATOM 0 HG SER A 221 -2.354 0.066 -6.113 1.00 1.14 H new ATOM 268 N ALA A 222 -0.552 1.030 -2.144 1.00 0.28 N ATOM 269 CA ALA A 222 0.443 2.044 -1.827 1.00 0.32 C ATOM 270 C ALA A 222 1.496 1.486 -0.875 1.00 0.35 C ATOM 271 O ALA A 222 2.677 1.820 -0.974 1.00 0.38 O ATOM 272 CB ALA A 222 -0.218 3.273 -1.224 1.00 0.33 C ATOM 0 H ALA A 222 -1.462 1.180 -1.709 1.00 0.28 H new ATOM 0 HA ALA A 222 0.937 2.337 -2.753 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.542 4.019 -0.994 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -0.931 3.689 -1.936 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.740 2.993 -0.309 1.00 0.33 H new ATOM 278 N VAL A 223 1.059 0.629 0.049 1.00 0.35 N ATOM 279 CA VAL A 223 1.961 0.029 1.025 1.00 0.39 C ATOM 280 C VAL A 223 3.069 -0.767 0.342 1.00 0.40 C ATOM 281 O VAL A 223 4.252 -0.539 0.601 1.00 0.42 O ATOM 282 CB VAL A 223 1.207 -0.888 2.011 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.187 -1.586 2.941 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.189 -0.090 2.810 1.00 0.39 C ATOM 0 H VAL A 223 0.086 0.337 0.140 1.00 0.35 H new ATOM 0 HA VAL A 223 2.406 0.852 1.584 1.00 0.39 H new ATOM 0 HB VAL A 223 0.674 -1.647 1.438 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.640 -2.229 3.630 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.879 -2.190 2.354 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.746 -0.840 3.507 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.333 -0.753 3.500 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.700 0.691 3.374 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.531 0.366 2.130 1.00 0.39 H new ATOM 294 N ILE A 224 2.689 -1.704 -0.526 1.00 0.40 N ATOM 295 CA ILE A 224 3.672 -2.512 -1.237 1.00 0.42 C ATOM 296 C ILE A 224 4.611 -1.617 -2.036 1.00 0.39 C ATOM 297 O ILE A 224 5.781 -1.941 -2.234 1.00 0.39 O ATOM 298 CB ILE A 224 3.004 -3.542 -2.173 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.004 -2.861 -3.105 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.318 -4.628 -1.357 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.602 -2.427 -4.426 1.00 0.46 C ATOM 0 H ILE A 224 1.718 -1.919 -0.750 1.00 0.40 H new ATOM 0 HA ILE A 224 4.242 -3.064 -0.490 1.00 0.42 H new ATOM 0 HB ILE A 224 3.779 -4.002 -2.786 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.177 -3.544 -3.298 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.587 -1.989 -2.601 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.851 -5.348 -2.029 1.00 0.51 H new ATOM 0 HG22 ILE A 224 3.055 -5.137 -0.736 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.556 -4.178 -0.721 1.00 0.51 H new ATOM 0 HD11 ILE A 224 1.833 -1.952 -5.035 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.410 -1.719 -4.244 1.00 0.46 H new ATOM 0 HD13 ILE A 224 2.994 -3.298 -4.952 1.00 0.46 H new ATOM 313 N CYS A 225 4.082 -0.490 -2.498 1.00 0.38 N ATOM 314 CA CYS A 225 4.871 0.475 -3.252 1.00 0.36 C ATOM 315 C CYS A 225 5.931 1.108 -2.355 1.00 0.34 C ATOM 316 O CYS A 225 7.036 1.419 -2.799 1.00 0.34 O ATOM 317 CB CYS A 225 3.962 1.558 -3.840 1.00 0.36 C ATOM 318 SG CYS A 225 3.007 1.021 -5.278 1.00 1.36 S ATOM 0 H CYS A 225 3.107 -0.222 -2.363 1.00 0.38 H new ATOM 0 HA CYS A 225 5.370 -0.046 -4.069 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.273 1.898 -3.067 1.00 0.36 H new ATOM 0 HB3 CYS A 225 4.573 2.415 -4.123 1.00 0.36 H new ATOM 0 HG CYS A 225 1.917 0.434 -4.881 1.00 1.36 H new ATOM 324 N LEU A 226 5.576 1.293 -1.085 1.00 0.35 N ATOM 325 CA LEU A 226 6.476 1.893 -0.104 1.00 0.35 C ATOM 326 C LEU A 226 7.650 0.975 0.229 1.00 0.31 C ATOM 327 O LEU A 226 8.807 1.388 0.156 1.00 0.29 O ATOM 328 CB LEU A 226 5.705 2.229 1.177 1.00 0.40 C ATOM 329 CG LEU A 226 5.270 3.692 1.313 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.311 4.078 0.198 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.628 3.927 2.671 1.00 0.51 C ATOM 0 H LEU A 226 4.664 1.033 -0.710 1.00 0.35 H new ATOM 0 HA LEU A 226 6.879 2.805 -0.544 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.818 1.597 1.224 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.327 1.970 2.034 1.00 0.40 H new ATOM 0 HG LEU A 226 6.156 4.321 1.231 1.00 0.46 H new ATOM 0 HD11 LEU A 226 4.016 5.121 0.316 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.802 3.947 -0.766 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.426 3.444 0.244 1.00 0.44 H new ATOM 0 HD21 LEU A 226 4.324 4.970 2.754 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.754 3.285 2.776 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.346 3.695 3.458 1.00 0.51 H new ATOM 343 N ILE A 227 7.348 -0.269 0.596 1.00 0.33 N ATOM 344 CA ILE A 227 8.387 -1.233 0.957 1.00 0.31 C ATOM 345 C ILE A 227 9.447 -1.364 -0.133 1.00 0.25 C ATOM 346 O ILE A 227 10.625 -1.548 0.164 1.00 0.22 O ATOM 347 CB ILE A 227 7.804 -2.627 1.266 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.109 -3.214 0.036 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.838 -2.548 2.437 1.00 0.45 C ATOM 350 CD1 ILE A 227 7.081 -4.726 0.027 1.00 0.46 C ATOM 0 H ILE A 227 6.397 -0.633 0.651 1.00 0.33 H new ATOM 0 HA ILE A 227 8.854 -0.841 1.860 1.00 0.31 H new ATOM 0 HB ILE A 227 8.627 -3.289 1.537 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.087 -2.839 -0.008 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.617 -2.862 -0.862 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.435 -3.539 2.643 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.364 -2.179 3.318 1.00 0.45 H new ATOM 0 HG23 ILE A 227 6.022 -1.868 2.190 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.574 -5.075 -0.872 1.00 0.46 H new ATOM 0 HD12 ILE A 227 8.101 -5.109 0.040 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.547 -5.085 0.907 1.00 0.46 H new ATOM 362 N ILE A 228 9.027 -1.277 -1.390 1.00 0.24 N ATOM 363 CA ILE A 228 9.950 -1.395 -2.513 1.00 0.21 C ATOM 364 C ILE A 228 10.986 -0.282 -2.466 1.00 0.17 C ATOM 365 O ILE A 228 12.156 -0.486 -2.793 1.00 0.17 O ATOM 366 CB ILE A 228 9.207 -1.342 -3.863 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.231 -2.514 -3.978 1.00 0.29 C ATOM 368 CG2 ILE A 228 10.195 -1.355 -5.021 1.00 0.27 C ATOM 369 CD1 ILE A 228 7.230 -2.358 -5.101 1.00 0.36 C ATOM 0 H ILE A 228 8.054 -1.125 -1.657 1.00 0.24 H new ATOM 0 HA ILE A 228 10.445 -2.362 -2.428 1.00 0.21 H new ATOM 0 HB ILE A 228 8.641 -0.412 -3.909 1.00 0.26 H new ATOM 0 HG12 ILE A 228 8.796 -3.433 -4.131 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.694 -2.623 -3.036 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.650 -1.317 -5.964 1.00 0.27 H new ATOM 0 HG22 ILE A 228 10.854 -0.490 -4.947 1.00 0.27 H new ATOM 0 HG23 ILE A 228 10.790 -2.268 -4.982 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.570 -3.225 -5.123 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.639 -1.457 -4.939 1.00 0.36 H new ATOM 0 HD13 ILE A 228 7.758 -2.280 -6.051 1.00 0.36 H new ATOM 381 N VAL A 229 10.538 0.896 -2.057 1.00 0.17 N ATOM 382 CA VAL A 229 11.402 2.060 -1.954 1.00 0.18 C ATOM 383 C VAL A 229 12.524 1.830 -0.941 1.00 0.14 C ATOM 384 O VAL A 229 13.695 2.078 -1.231 1.00 0.17 O ATOM 385 CB VAL A 229 10.587 3.301 -1.548 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.499 4.487 -1.267 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.574 3.645 -2.630 1.00 0.30 C ATOM 0 H VAL A 229 9.570 1.070 -1.789 1.00 0.17 H new ATOM 0 HA VAL A 229 11.849 2.226 -2.934 1.00 0.18 H new ATOM 0 HB VAL A 229 10.049 3.070 -0.629 1.00 0.24 H new ATOM 0 HG11 VAL A 229 10.897 5.350 -0.983 1.00 0.27 H new ATOM 0 HG12 VAL A 229 12.181 4.237 -0.455 1.00 0.27 H new ATOM 0 HG13 VAL A 229 12.073 4.725 -2.163 1.00 0.27 H new ATOM 0 HG21 VAL A 229 9.005 4.525 -2.329 1.00 0.30 H new ATOM 0 HG22 VAL A 229 10.096 3.852 -3.564 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.895 2.805 -2.773 1.00 0.30 H new ATOM 397 N TRP A 230 12.158 1.354 0.247 1.00 0.14 N ATOM 398 CA TRP A 230 13.132 1.095 1.304 1.00 0.16 C ATOM 399 C TRP A 230 13.983 -0.120 0.973 1.00 0.12 C ATOM 400 O TRP A 230 15.175 -0.159 1.264 1.00 0.17 O ATOM 401 CB TRP A 230 12.426 0.875 2.640 1.00 0.24 C ATOM 402 CG TRP A 230 12.021 2.144 3.319 1.00 0.32 C ATOM 403 CD1 TRP A 230 12.850 3.096 3.835 1.00 0.35 C ATOM 404 CD2 TRP A 230 10.686 2.596 3.563 1.00 0.40 C ATOM 405 NE1 TRP A 230 12.112 4.118 4.382 1.00 0.43 N ATOM 406 CE2 TRP A 230 10.780 3.833 4.229 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.420 2.077 3.283 1.00 0.44 C ATOM 408 CZ2 TRP A 230 9.656 4.556 4.617 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.304 2.794 3.669 1.00 0.54 C ATOM 410 CH2 TRP A 230 8.429 4.023 4.331 1.00 0.59 C ATOM 0 H TRP A 230 11.194 1.140 0.502 1.00 0.14 H new ATOM 0 HA TRP A 230 13.781 1.968 1.380 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.540 0.261 2.477 1.00 0.24 H new ATOM 0 HB3 TRP A 230 13.085 0.313 3.302 1.00 0.24 H new ATOM 0 HD1 TRP A 230 13.929 3.053 3.816 1.00 0.35 H new ATOM 0 HE1 TRP A 230 12.493 4.952 4.829 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.315 1.131 2.773 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 9.749 5.504 5.126 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.320 2.402 3.457 1.00 0.54 H new ATOM 0 HH2 TRP A 230 7.538 4.560 4.621 1.00 0.59 H new ATOM 421 N ALA A 231 13.351 -1.112 0.366 1.00 0.11 N ATOM 422 CA ALA A 231 14.024 -2.348 -0.009 1.00 0.16 C ATOM 423 C ALA A 231 15.137 -2.102 -1.021 1.00 0.20 C ATOM 424 O ALA A 231 15.891 -3.013 -1.360 1.00 0.29 O ATOM 425 CB ALA A 231 13.009 -3.328 -0.570 1.00 0.20 C ATOM 0 H ALA A 231 12.362 -1.085 0.120 1.00 0.11 H new ATOM 0 HA ALA A 231 14.485 -2.768 0.885 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.513 -4.253 -0.851 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.253 -3.541 0.186 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.531 -2.894 -1.448 1.00 0.20 H new ATOM 431 N VAL A 232 15.227 -0.871 -1.509 1.00 0.21 N ATOM 432 CA VAL A 232 16.255 -0.501 -2.476 1.00 0.33 C ATOM 433 C VAL A 232 17.167 0.578 -1.893 1.00 0.39 C ATOM 434 O VAL A 232 18.151 0.995 -2.507 1.00 0.50 O ATOM 435 CB VAL A 232 15.626 -0.028 -3.800 1.00 0.37 C ATOM 436 CG1 VAL A 232 16.682 0.533 -4.739 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.882 -1.181 -4.451 1.00 0.37 C ATOM 0 H VAL A 232 14.599 -0.110 -1.251 1.00 0.21 H new ATOM 0 HA VAL A 232 16.856 -1.385 -2.691 1.00 0.33 H new ATOM 0 HB VAL A 232 14.920 0.775 -3.585 1.00 0.37 H new ATOM 0 HG11 VAL A 232 16.209 0.859 -5.665 1.00 0.51 H new ATOM 0 HG12 VAL A 232 17.176 1.382 -4.266 1.00 0.51 H new ATOM 0 HG13 VAL A 232 17.419 -0.239 -4.960 1.00 0.51 H new ATOM 0 HG21 VAL A 232 14.438 -0.845 -5.388 1.00 0.37 H new ATOM 0 HG22 VAL A 232 15.578 -1.996 -4.651 1.00 0.37 H new ATOM 0 HG23 VAL A 232 14.096 -1.531 -3.782 1.00 0.37 H new ATOM 447 N ALA A 233 16.853 0.987 -0.677 1.00 0.33 N ATOM 448 CA ALA A 233 17.638 1.984 0.025 1.00 0.41 C ATOM 449 C ALA A 233 18.197 1.343 1.284 1.00 0.44 C ATOM 450 O ALA A 233 18.956 1.947 2.043 1.00 0.52 O ATOM 451 CB ALA A 233 16.789 3.201 0.366 1.00 0.37 C ATOM 0 H ALA A 233 16.051 0.639 -0.151 1.00 0.33 H new ATOM 0 HA ALA A 233 18.454 2.330 -0.610 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.400 3.935 0.892 1.00 0.37 H new ATOM 0 HB2 ALA A 233 16.401 3.643 -0.552 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.958 2.898 1.002 1.00 0.37 H new ATOM 457 N LEU A 234 17.786 0.095 1.479 1.00 0.39 N ATOM 458 CA LEU A 234 18.212 -0.726 2.596 1.00 0.46 C ATOM 459 C LEU A 234 18.904 -1.964 2.044 1.00 0.53 C ATOM 460 O LEU A 234 19.190 -2.917 2.769 1.00 0.60 O ATOM 461 CB LEU A 234 17.001 -1.157 3.434 1.00 0.42 C ATOM 462 CG LEU A 234 16.487 -0.148 4.466 1.00 0.43 C ATOM 463 CD1 LEU A 234 16.287 1.225 3.847 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.185 -0.652 5.065 1.00 0.45 C ATOM 0 H LEU A 234 17.136 -0.379 0.852 1.00 0.39 H new ATOM 0 HA LEU A 234 18.891 -0.155 3.230 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.183 -1.395 2.754 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.259 -2.078 3.957 1.00 0.42 H new ATOM 0 HG LEU A 234 17.235 -0.049 5.253 1.00 0.43 H new ATOM 0 HD11 LEU A 234 15.922 1.917 4.606 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.236 1.588 3.452 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.560 1.157 3.038 1.00 0.39 H new ATOM 0 HD21 LEU A 234 14.820 0.066 5.799 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.444 -0.772 4.275 1.00 0.45 H new ATOM 0 HD23 LEU A 234 15.356 -1.612 5.551 1.00 0.45 H new ATOM 476 N LYS A 235 19.166 -1.928 0.738 1.00 0.53 N ATOM 477 CA LYS A 235 19.792 -3.036 0.039 1.00 0.61 C ATOM 478 C LYS A 235 21.169 -2.653 -0.495 1.00 0.74 C ATOM 479 O LYS A 235 21.827 -3.449 -1.163 1.00 0.82 O ATOM 480 CB LYS A 235 18.892 -3.481 -1.112 1.00 0.54 C ATOM 481 CG LYS A 235 18.397 -4.912 -1.002 1.00 0.55 C ATOM 482 CD LYS A 235 17.793 -5.196 0.360 1.00 0.53 C ATOM 483 CE LYS A 235 16.418 -5.811 0.238 1.00 0.49 C ATOM 484 NZ LYS A 235 15.939 -6.368 1.532 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.949 -1.130 0.141 1.00 0.53 H new ATOM 0 HA LYS A 235 19.926 -3.856 0.745 1.00 0.61 H new ATOM 0 HB2 LYS A 235 18.031 -2.814 -1.163 1.00 0.54 H new ATOM 0 HB3 LYS A 235 19.438 -3.369 -2.049 1.00 0.54 H new ATOM 0 HG2 LYS A 235 17.653 -5.100 -1.776 1.00 0.55 H new ATOM 0 HG3 LYS A 235 19.225 -5.598 -1.183 1.00 0.55 H new ATOM 0 HD2 LYS A 235 18.446 -5.869 0.916 1.00 0.53 H new ATOM 0 HD3 LYS A 235 17.729 -4.270 0.931 1.00 0.53 H new ATOM 0 HE2 LYS A 235 15.714 -5.057 -0.115 1.00 0.49 H new ATOM 0 HE3 LYS A 235 16.440 -6.602 -0.511 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 14.993 -6.780 1.404 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 16.596 -7.105 1.857 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 15.893 -5.609 2.241 1.00 0.56 H new ATOM 498 N GLY A 236 21.597 -1.431 -0.195 1.00 1.13 N ATOM 499 CA GLY A 236 22.894 -0.968 -0.654 1.00 1.30 C ATOM 500 C GLY A 236 22.922 0.522 -0.897 1.00 1.58 C ATOM 501 O GLY A 236 23.280 0.982 -1.980 1.00 1.97 O ATOM 0 H GLY A 236 21.070 -0.754 0.357 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.651 -1.227 0.086 1.00 1.30 H new ATOM 0 HA3 GLY A 236 23.157 -1.488 -1.575 1.00 1.30 H new ATOM 505 N TYR A 237 22.541 1.270 0.121 1.00 1.55 N ATOM 506 CA TYR A 237 22.514 2.726 0.038 1.00 1.93 C ATOM 507 C TYR A 237 23.923 3.308 0.099 1.00 2.68 C ATOM 508 O TYR A 237 24.266 4.204 -0.673 1.00 3.13 O ATOM 509 CB TYR A 237 21.649 3.314 1.156 1.00 1.48 C ATOM 510 CG TYR A 237 22.158 3.017 2.550 1.00 1.63 C ATOM 511 CD1 TYR A 237 21.898 1.797 3.160 1.00 2.15 C ATOM 512 CD2 TYR A 237 22.898 3.958 3.255 1.00 2.12 C ATOM 513 CE1 TYR A 237 22.360 1.522 4.434 1.00 2.91 C ATOM 514 CE2 TYR A 237 23.365 3.691 4.528 1.00 2.76 C ATOM 515 CZ TYR A 237 23.096 2.469 5.112 1.00 3.10 C ATOM 516 OH TYR A 237 23.554 2.204 6.381 1.00 4.00 O ATOM 0 H TYR A 237 22.244 0.895 1.022 1.00 1.55 H new ATOM 0 HA TYR A 237 22.076 2.996 -0.923 1.00 1.93 H new ATOM 0 HB2 TYR A 237 21.589 4.394 1.025 1.00 1.48 H new ATOM 0 HB3 TYR A 237 20.635 2.925 1.060 1.00 1.48 H new ATOM 0 HD1 TYR A 237 21.325 1.050 2.630 1.00 2.15 H new ATOM 0 HD2 TYR A 237 23.112 4.914 2.801 1.00 2.12 H new ATOM 0 HE1 TYR A 237 22.145 0.569 4.895 1.00 2.91 H new ATOM 0 HE2 TYR A 237 23.937 4.434 5.063 1.00 2.76 H new ATOM 0 HH TYR A 237 24.056 2.976 6.715 1.00 4.00 H new ATOM 526 N SER A 238 24.736 2.799 1.020 1.00 3.04 N ATOM 527 CA SER A 238 26.105 3.279 1.176 1.00 3.95 C ATOM 528 C SER A 238 26.975 2.254 1.898 1.00 4.58 C ATOM 529 O SER A 238 27.910 1.704 1.316 1.00 5.29 O ATOM 530 CB SER A 238 26.105 4.595 1.948 1.00 4.49 C ATOM 531 OG SER A 238 27.425 5.014 2.243 1.00 4.96 O ATOM 0 H SER A 238 24.472 2.057 1.668 1.00 3.04 H new ATOM 0 HA SER A 238 26.524 3.436 0.182 1.00 3.95 H new ATOM 0 HB2 SER A 238 25.599 5.363 1.363 1.00 4.49 H new ATOM 0 HB3 SER A 238 25.542 4.477 2.874 1.00 4.49 H new ATOM 0 HG SER A 238 27.397 5.860 2.736 1.00 4.96 H new ATOM 537 N MET A 239 26.662 2.005 3.167 1.00 4.61 N ATOM 538 CA MET A 239 27.425 1.057 3.972 1.00 5.54 C ATOM 539 C MET A 239 26.506 0.030 4.628 1.00 5.88 C ATOM 540 O MET A 239 26.529 -0.147 5.847 1.00 6.64 O ATOM 541 CB MET A 239 28.225 1.800 5.041 1.00 5.96 C ATOM 542 CG MET A 239 29.085 2.923 4.486 1.00 6.04 C ATOM 543 SD MET A 239 30.106 3.705 5.749 1.00 6.88 S ATOM 544 CE MET A 239 28.853 4.315 6.875 1.00 6.96 C ATOM 0 H MET A 239 25.885 2.447 3.659 1.00 4.61 H new ATOM 0 HA MET A 239 28.112 0.528 3.312 1.00 5.54 H new ATOM 0 HB2 MET A 239 27.536 2.212 5.778 1.00 5.96 H new ATOM 0 HB3 MET A 239 28.864 1.089 5.565 1.00 5.96 H new ATOM 0 HG2 MET A 239 29.727 2.528 3.698 1.00 6.04 H new ATOM 0 HG3 MET A 239 28.443 3.674 4.027 1.00 6.04 H new ATOM 0 HE1 MET A 239 29.285 5.080 7.521 1.00 6.96 H new ATOM 0 HE2 MET A 239 28.029 4.745 6.305 1.00 6.96 H new ATOM 0 HE3 MET A 239 28.481 3.492 7.486 1.00 6.96 H new ATOM 554 N VAL A 240 25.695 -0.639 3.815 1.00 5.58 N ATOM 555 CA VAL A 240 24.772 -1.653 4.315 1.00 6.19 C ATOM 556 C VAL A 240 25.504 -2.715 5.133 1.00 7.44 C ATOM 557 O VAL A 240 26.083 -3.639 4.523 1.00 7.88 O ATOM 558 CB VAL A 240 24.000 -2.334 3.169 1.00 5.82 C ATOM 559 CG1 VAL A 240 22.858 -1.448 2.696 1.00 4.89 C ATOM 560 CG2 VAL A 240 24.934 -2.666 2.012 1.00 5.70 C ATOM 561 OXT VAL A 240 25.491 -2.614 6.377 1.00 8.12 O ATOM 0 H VAL A 240 25.658 -0.497 2.806 1.00 5.58 H new ATOM 0 HA VAL A 240 24.059 -1.136 4.958 1.00 6.19 H new ATOM 0 HB VAL A 240 23.580 -3.266 3.546 1.00 5.82 H new ATOM 0 HG11 VAL A 240 22.323 -1.945 1.886 1.00 4.89 H new ATOM 0 HG12 VAL A 240 22.173 -1.264 3.524 1.00 4.89 H new ATOM 0 HG13 VAL A 240 23.258 -0.499 2.338 1.00 4.89 H new ATOM 0 HG21 VAL A 240 24.368 -3.146 1.214 1.00 5.70 H new ATOM 0 HG22 VAL A 240 25.386 -1.749 1.635 1.00 5.70 H new ATOM 0 HG23 VAL A 240 25.717 -3.341 2.358 1.00 5.70 H new TER 571 VAL A 240