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 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 -160:sc= -0.155 (180deg=-0.715) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 211 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 SER OG : rot -33:sc= 0.1 USER MOD Single : A 221 SER OG : rot -51:sc= 1.2 USER MOD Single : A 225 CYS SG : rot 180:sc= 0 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 -17:sc= 0.0466 USER MOD Single : A 239 MET CE :methyl -163:sc= -0.0748 (180deg=-0.493) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -32.073 -7.305 -1.126 1.00 11.27 N ATOM 2 CA GLY A 204 -31.090 -6.469 -1.870 1.00 10.74 C ATOM 3 C GLY A 204 -31.058 -5.036 -1.377 1.00 10.08 C ATOM 4 O GLY A 204 -31.668 -4.152 -1.977 1.00 10.33 O ATOM 0 HA2 GLY A 204 -30.097 -6.907 -1.771 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -31.338 -6.480 -2.931 1.00 10.74 H new ATOM 10 N SER A 205 -30.345 -4.808 -0.278 1.00 9.44 N ATOM 11 CA SER A 205 -30.238 -3.473 0.301 1.00 8.98 C ATOM 12 C SER A 205 -28.811 -2.947 0.196 1.00 8.39 C ATOM 13 O SER A 205 -27.849 -3.683 0.419 1.00 8.34 O ATOM 14 CB SER A 205 -30.682 -3.492 1.763 1.00 9.23 C ATOM 15 OG SER A 205 -32.025 -3.927 1.882 1.00 10.03 O ATOM 0 H SER A 205 -29.833 -5.530 0.229 1.00 9.44 H new ATOM 0 HA SER A 205 -30.893 -2.807 -0.261 1.00 8.98 H new ATOM 0 HB2 SER A 205 -30.030 -4.152 2.336 1.00 9.23 H new ATOM 0 HB3 SER A 205 -30.580 -2.494 2.190 1.00 9.23 H new ATOM 0 HG SER A 205 -32.285 -3.932 2.827 1.00 10.03 H new ATOM 21 N PHE A 206 -28.684 -1.668 -0.143 1.00 8.19 N ATOM 22 CA PHE A 206 -27.376 -1.039 -0.277 1.00 7.85 C ATOM 23 C PHE A 206 -27.118 -0.076 0.879 1.00 7.28 C ATOM 24 O PHE A 206 -26.408 0.919 0.725 1.00 7.58 O ATOM 25 CB PHE A 206 -27.281 -0.296 -1.611 1.00 8.48 C ATOM 26 CG PHE A 206 -27.488 -1.183 -2.806 1.00 8.90 C ATOM 27 CD1 PHE A 206 -26.421 -1.862 -3.376 1.00 9.52 C ATOM 28 CD2 PHE A 206 -28.748 -1.338 -3.363 1.00 8.94 C ATOM 29 CE1 PHE A 206 -26.609 -2.678 -4.475 1.00 10.16 C ATOM 30 CE2 PHE A 206 -28.941 -2.151 -4.462 1.00 9.58 C ATOM 31 CZ PHE A 206 -27.870 -2.827 -5.017 1.00 10.18 C ATOM 0 H PHE A 206 -29.471 -1.047 -0.330 1.00 8.19 H new ATOM 0 HA PHE A 206 -26.616 -1.820 -0.251 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -28.024 0.502 -1.627 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -26.302 0.178 -1.685 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -25.432 -1.752 -2.956 1.00 9.52 H new ATOM 0 HD2 PHE A 206 -29.589 -0.816 -2.932 1.00 8.94 H new ATOM 0 HE1 PHE A 206 -25.769 -3.199 -4.910 1.00 10.16 H new ATOM 0 HE2 PHE A 206 -29.928 -2.259 -4.888 1.00 9.58 H new ATOM 0 HZ PHE A 206 -28.020 -3.470 -5.872 1.00 10.18 H new ATOM 41 N THR A 207 -27.696 -0.382 2.035 1.00 6.75 N ATOM 42 CA THR A 207 -27.534 0.453 3.221 1.00 6.52 C ATOM 43 C THR A 207 -26.096 0.414 3.726 1.00 5.52 C ATOM 44 O THR A 207 -25.681 1.265 4.513 1.00 5.53 O ATOM 45 CB THR A 207 -28.472 0.002 4.355 1.00 7.16 C ATOM 46 OG1 THR A 207 -28.144 -1.333 4.760 1.00 7.94 O ATOM 47 CG2 THR A 207 -29.925 0.058 3.909 1.00 7.52 C ATOM 0 H THR A 207 -28.283 -1.204 2.177 1.00 6.75 H new ATOM 0 HA THR A 207 -27.789 1.472 2.929 1.00 6.52 H new ATOM 0 HB THR A 207 -28.340 0.681 5.198 1.00 7.16 H new ATOM 0 HG1 THR A 207 -28.744 -1.612 5.483 1.00 7.94 H new ATOM 0 HG21 THR A 207 -30.569 -0.265 4.727 1.00 7.52 H new ATOM 0 HG22 THR A 207 -30.180 1.080 3.628 1.00 7.52 H new ATOM 0 HG23 THR A 207 -30.068 -0.601 3.052 1.00 7.52 H new ATOM 55 N MET A 208 -25.340 -0.578 3.265 1.00 4.97 N ATOM 56 CA MET A 208 -23.948 -0.732 3.669 1.00 4.29 C ATOM 57 C MET A 208 -23.039 -0.849 2.449 1.00 3.61 C ATOM 58 O MET A 208 -22.698 -1.951 2.020 1.00 3.96 O ATOM 59 CB MET A 208 -23.785 -1.966 4.557 1.00 4.65 C ATOM 60 CG MET A 208 -24.631 -1.926 5.819 1.00 5.27 C ATOM 61 SD MET A 208 -24.413 -3.392 6.847 1.00 5.92 S ATOM 62 CE MET A 208 -24.983 -4.675 5.735 1.00 6.74 C ATOM 0 H MET A 208 -25.669 -1.288 2.611 1.00 4.97 H new ATOM 0 HA MET A 208 -23.660 0.155 4.234 1.00 4.29 H new ATOM 0 HB2 MET A 208 -24.048 -2.854 3.982 1.00 4.65 H new ATOM 0 HB3 MET A 208 -22.736 -2.066 4.836 1.00 4.65 H new ATOM 0 HG2 MET A 208 -24.372 -1.039 6.398 1.00 5.27 H new ATOM 0 HG3 MET A 208 -25.682 -1.832 5.545 1.00 5.27 H new ATOM 0 HE1 MET A 208 -25.247 -5.563 6.309 1.00 6.74 H new ATOM 0 HE2 MET A 208 -25.858 -4.322 5.190 1.00 6.74 H new ATOM 0 HE3 MET A 208 -24.191 -4.922 5.028 1.00 6.74 H new ATOM 72 N ASN A 209 -22.652 0.296 1.894 1.00 3.19 N ATOM 73 CA ASN A 209 -21.780 0.320 0.726 1.00 3.10 C ATOM 74 C ASN A 209 -20.445 -0.346 1.037 1.00 2.76 C ATOM 75 O ASN A 209 -19.813 -0.047 2.051 1.00 3.19 O ATOM 76 CB ASN A 209 -21.550 1.759 0.263 1.00 3.66 C ATOM 77 CG ASN A 209 -22.841 2.460 -0.113 1.00 4.37 C ATOM 78 OD1 ASN A 209 -23.489 3.082 0.729 1.00 4.83 O ATOM 79 ND2 ASN A 209 -23.222 2.359 -1.381 1.00 4.91 N ATOM 0 H ASN A 209 -22.928 1.217 2.234 1.00 3.19 H new ATOM 0 HA ASN A 209 -22.268 -0.236 -0.075 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -21.054 2.318 1.057 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -20.877 1.758 -0.595 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -24.084 2.807 -1.692 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -22.653 1.833 -2.044 1.00 4.91 H new ATOM 86 N ASP A 210 -20.021 -1.248 0.159 1.00 2.20 N ATOM 87 CA ASP A 210 -18.761 -1.958 0.342 1.00 1.85 C ATOM 88 C ASP A 210 -17.591 -1.133 -0.178 1.00 1.67 C ATOM 89 O ASP A 210 -16.530 -1.672 -0.489 1.00 1.70 O ATOM 90 CB ASP A 210 -18.803 -3.303 -0.375 1.00 1.87 C ATOM 91 CG ASP A 210 -20.088 -4.062 -0.109 1.00 2.29 C ATOM 92 OD1 ASP A 210 -20.162 -4.759 0.925 1.00 2.54 O1- ATOM 93 OD2 ASP A 210 -21.023 -3.955 -0.930 1.00 2.79 O ATOM 0 H ASP A 210 -20.531 -1.505 -0.686 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.620 -2.125 1.410 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -18.695 -3.143 -1.448 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -17.954 -3.908 -0.056 1.00 1.87 H new ATOM 98 N THR A 211 -17.792 0.176 -0.279 1.00 1.54 N ATOM 99 CA THR A 211 -16.748 1.072 -0.758 1.00 1.39 C ATOM 100 C THR A 211 -15.476 0.909 0.066 1.00 1.19 C ATOM 101 O THR A 211 -14.406 0.630 -0.473 1.00 1.05 O ATOM 102 CB THR A 211 -17.201 2.544 -0.704 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.371 2.728 -1.510 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.096 3.476 -1.187 1.00 1.34 C ATOM 0 H THR A 211 -18.668 0.639 -0.036 1.00 1.54 H new ATOM 0 HA THR A 211 -16.546 0.805 -1.795 1.00 1.39 H new ATOM 0 HB THR A 211 -17.430 2.788 0.333 1.00 1.44 H new ATOM 0 HG1 THR A 211 -18.653 3.666 -1.468 1.00 1.62 H new ATOM 0 HG21 THR A 211 -16.443 4.508 -1.138 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.218 3.358 -0.553 1.00 1.34 H new ATOM 0 HG23 THR A 211 -15.836 3.229 -2.216 1.00 1.34 H new ATOM 112 N THR A 212 -15.609 1.072 1.381 1.00 1.20 N ATOM 113 CA THR A 212 -14.475 0.953 2.290 1.00 1.06 C ATOM 114 C THR A 212 -13.741 -0.371 2.100 1.00 0.95 C ATOM 115 O THR A 212 -12.542 -0.467 2.369 1.00 0.80 O ATOM 116 CB THR A 212 -14.919 1.069 3.760 1.00 1.16 C ATOM 117 OG1 THR A 212 -15.766 2.212 3.929 1.00 1.30 O ATOM 118 CG2 THR A 212 -13.716 1.189 4.684 1.00 1.05 C ATOM 0 H THR A 212 -16.494 1.287 1.840 1.00 1.20 H new ATOM 0 HA THR A 212 -13.799 1.774 2.051 1.00 1.06 H new ATOM 0 HB THR A 212 -15.469 0.165 4.019 1.00 1.16 H new ATOM 0 HG1 THR A 212 -16.045 2.277 4.866 1.00 1.30 H new ATOM 0 HG21 THR A 212 -14.057 1.270 5.716 1.00 1.05 H new ATOM 0 HG22 THR A 212 -13.086 0.306 4.578 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.142 2.078 4.421 1.00 1.05 H new ATOM 126 N VAL A 213 -14.458 -1.392 1.633 1.00 1.07 N ATOM 127 CA VAL A 213 -13.854 -2.702 1.417 1.00 1.04 C ATOM 128 C VAL A 213 -12.701 -2.605 0.425 1.00 0.87 C ATOM 129 O VAL A 213 -11.673 -3.265 0.585 1.00 0.79 O ATOM 130 CB VAL A 213 -14.882 -3.727 0.903 1.00 1.21 C ATOM 131 CG1 VAL A 213 -14.246 -5.102 0.758 1.00 1.21 C ATOM 132 CG2 VAL A 213 -16.084 -3.785 1.834 1.00 1.41 C ATOM 0 H VAL A 213 -15.449 -1.337 1.399 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.479 -3.044 2.382 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.224 -3.407 -0.081 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -14.990 -5.810 0.394 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -13.419 -5.048 0.050 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.873 -5.434 1.727 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.801 -4.514 1.457 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -15.758 -4.079 2.831 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.555 -2.803 1.881 1.00 1.41 H new ATOM 142 N TRP A 214 -12.877 -1.776 -0.601 1.00 0.85 N ATOM 143 CA TRP A 214 -11.845 -1.584 -1.610 1.00 0.74 C ATOM 144 C TRP A 214 -10.813 -0.571 -1.129 1.00 0.59 C ATOM 145 O TRP A 214 -9.679 -0.560 -1.598 1.00 0.51 O ATOM 146 CB TRP A 214 -12.457 -1.114 -2.930 1.00 0.83 C ATOM 147 CG TRP A 214 -13.589 -1.972 -3.405 1.00 1.03 C ATOM 148 CD1 TRP A 214 -14.920 -1.770 -3.182 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.489 -3.169 -4.185 1.00 1.11 C ATOM 150 NE1 TRP A 214 -15.655 -2.766 -3.775 1.00 1.37 N ATOM 151 CE2 TRP A 214 -14.799 -3.638 -4.398 1.00 1.31 C ATOM 152 CE3 TRP A 214 -12.419 -3.889 -4.725 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -15.067 -4.793 -5.126 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -12.686 -5.037 -5.448 1.00 1.26 C ATOM 155 CH2 TRP A 214 -14.001 -5.478 -5.644 1.00 1.42 C ATOM 0 H TRP A 214 -13.724 -1.228 -0.753 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.352 -2.542 -1.776 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -12.813 -0.090 -2.812 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.680 -1.095 -3.695 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.335 -0.946 -2.620 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -16.672 -2.845 -3.756 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.402 -3.555 -4.580 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -16.080 -5.137 -5.277 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -11.868 -5.603 -5.868 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -14.178 -6.377 -6.216 1.00 1.42 H new ATOM 166 N ILE A 215 -11.222 0.288 -0.196 1.00 0.61 N ATOM 167 CA ILE A 215 -10.326 1.295 0.359 1.00 0.53 C ATOM 168 C ILE A 215 -9.196 0.626 1.136 1.00 0.42 C ATOM 169 O ILE A 215 -8.025 0.957 0.955 1.00 0.33 O ATOM 170 CB ILE A 215 -11.081 2.292 1.271 1.00 0.64 C ATOM 171 CG1 ILE A 215 -11.657 3.447 0.445 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.172 2.832 2.368 1.00 0.60 C ATOM 173 CD1 ILE A 215 -12.664 3.017 -0.598 1.00 0.91 C ATOM 0 H ILE A 215 -12.166 0.305 0.189 1.00 0.61 H new ATOM 0 HA ILE A 215 -9.906 1.858 -0.474 1.00 0.53 H new ATOM 0 HB ILE A 215 -11.902 1.754 1.744 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.130 4.161 1.119 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -10.838 3.970 -0.049 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -10.730 3.530 2.992 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -9.811 2.006 2.980 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.324 3.347 1.917 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.024 3.892 -1.139 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.192 2.327 -1.297 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.504 2.521 -0.111 1.00 0.91 H new ATOM 185 N SER A 216 -9.555 -0.315 2.008 1.00 0.46 N ATOM 186 CA SER A 216 -8.563 -1.040 2.789 1.00 0.40 C ATOM 187 C SER A 216 -7.595 -1.742 1.846 1.00 0.29 C ATOM 188 O SER A 216 -6.399 -1.845 2.120 1.00 0.24 O ATOM 189 CB SER A 216 -9.239 -2.059 3.708 1.00 0.49 C ATOM 190 OG SER A 216 -9.974 -3.012 2.961 1.00 1.35 O ATOM 0 H SER A 216 -10.521 -0.590 2.188 1.00 0.46 H new ATOM 0 HA SER A 216 -8.015 -0.333 3.412 1.00 0.40 H new ATOM 0 HB2 SER A 216 -8.485 -2.567 4.309 1.00 0.49 H new ATOM 0 HB3 SER A 216 -9.905 -1.543 4.400 1.00 0.49 H new ATOM 0 HG SER A 216 -10.335 -2.588 2.155 1.00 1.35 H new ATOM 196 N VAL A 217 -8.135 -2.220 0.730 1.00 0.31 N ATOM 197 CA VAL A 217 -7.347 -2.897 -0.286 1.00 0.26 C ATOM 198 C VAL A 217 -6.540 -1.878 -1.081 1.00 0.19 C ATOM 199 O VAL A 217 -5.451 -2.172 -1.577 1.00 0.19 O ATOM 200 CB VAL A 217 -8.254 -3.691 -1.244 1.00 0.38 C ATOM 201 CG1 VAL A 217 -7.444 -4.308 -2.372 1.00 0.40 C ATOM 202 CG2 VAL A 217 -9.019 -4.760 -0.481 1.00 0.48 C ATOM 0 H VAL A 217 -9.128 -2.148 0.507 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.672 -3.592 0.213 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.973 -3.002 -1.687 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -8.108 -4.863 -3.035 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.945 -3.519 -2.935 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.697 -4.984 -1.956 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.656 -5.314 -1.171 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -8.314 -5.445 -0.009 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.636 -4.289 0.285 1.00 0.48 H new ATOM 212 N ALA A 218 -7.091 -0.676 -1.188 1.00 0.21 N ATOM 213 CA ALA A 218 -6.451 0.413 -1.908 1.00 0.21 C ATOM 214 C ALA A 218 -5.123 0.777 -1.259 1.00 0.14 C ATOM 215 O ALA A 218 -4.146 1.081 -1.941 1.00 0.18 O ATOM 216 CB ALA A 218 -7.371 1.625 -1.944 1.00 0.27 C ATOM 0 H ALA A 218 -7.992 -0.430 -0.778 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.255 0.087 -2.930 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -6.884 2.436 -2.485 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.301 1.361 -2.447 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.588 1.947 -0.926 1.00 0.27 H new ATOM 222 N VAL A 219 -5.105 0.749 0.067 1.00 0.10 N ATOM 223 CA VAL A 219 -3.908 1.077 0.824 1.00 0.14 C ATOM 224 C VAL A 219 -2.834 0.009 0.657 1.00 0.17 C ATOM 225 O VAL A 219 -1.644 0.318 0.639 1.00 0.25 O ATOM 226 CB VAL A 219 -4.231 1.247 2.321 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.025 1.779 3.076 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.426 2.169 2.499 1.00 0.20 C ATOM 0 H VAL A 219 -5.911 0.501 0.641 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.529 2.020 0.430 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.482 0.270 2.734 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.276 1.891 4.131 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.194 1.081 2.973 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.738 2.748 2.667 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.644 2.281 3.561 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.199 3.145 2.070 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.293 1.743 1.994 1.00 0.20 H new ATOM 238 N LEU A 220 -3.254 -1.249 0.533 1.00 0.15 N ATOM 239 CA LEU A 220 -2.311 -2.354 0.367 1.00 0.20 C ATOM 240 C LEU A 220 -1.469 -2.158 -0.882 1.00 0.21 C ATOM 241 O LEU A 220 -0.244 -2.280 -0.843 1.00 0.26 O ATOM 242 CB LEU A 220 -3.052 -3.687 0.277 1.00 0.20 C ATOM 243 CG LEU A 220 -4.198 -3.854 1.271 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.823 -5.235 1.138 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.708 -3.619 2.692 1.00 0.27 C ATOM 0 H LEU A 220 -4.235 -1.528 0.544 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.657 -2.368 1.239 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.447 -3.799 -0.733 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.337 -4.495 0.431 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.963 -3.111 1.045 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.638 -5.336 1.854 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -5.210 -5.363 0.127 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -4.069 -5.996 1.337 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.538 -3.742 3.388 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.925 -4.338 2.930 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.310 -2.608 2.777 1.00 0.27 H new ATOM 257 N SER A 221 -2.133 -1.856 -1.993 1.00 0.20 N ATOM 258 CA SER A 221 -1.437 -1.631 -3.253 1.00 0.25 C ATOM 259 C SER A 221 -0.376 -0.554 -3.071 1.00 0.28 C ATOM 260 O SER A 221 0.696 -0.608 -3.672 1.00 0.33 O ATOM 261 CB SER A 221 -2.422 -1.224 -4.352 1.00 0.27 C ATOM 262 OG SER A 221 -3.046 0.009 -4.048 1.00 1.14 O ATOM 0 H SER A 221 -3.147 -1.762 -2.046 1.00 0.20 H new ATOM 0 HA SER A 221 -0.955 -2.561 -3.556 1.00 0.25 H new ATOM 0 HB2 SER A 221 -1.897 -1.144 -5.304 1.00 0.27 H new ATOM 0 HB3 SER A 221 -3.180 -1.999 -4.470 1.00 0.27 H new ATOM 0 HG SER A 221 -3.416 -0.026 -3.141 1.00 1.14 H new ATOM 268 N ALA A 222 -0.696 0.436 -2.246 1.00 0.28 N ATOM 269 CA ALA A 222 0.229 1.518 -1.953 1.00 0.32 C ATOM 270 C ALA A 222 1.357 1.034 -1.047 1.00 0.35 C ATOM 271 O ALA A 222 2.511 1.429 -1.209 1.00 0.38 O ATOM 272 CB ALA A 222 -0.507 2.683 -1.306 1.00 0.33 C ATOM 0 H ALA A 222 -1.594 0.509 -1.767 1.00 0.28 H new ATOM 0 HA ALA A 222 0.666 1.859 -2.892 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.199 3.486 -1.092 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -1.278 3.048 -1.985 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.970 2.350 -0.377 1.00 0.33 H new ATOM 278 N VAL A 223 1.014 0.163 -0.098 1.00 0.35 N ATOM 279 CA VAL A 223 1.987 -0.369 0.851 1.00 0.39 C ATOM 280 C VAL A 223 3.128 -1.099 0.145 1.00 0.40 C ATOM 281 O VAL A 223 4.298 -0.806 0.391 1.00 0.42 O ATOM 282 CB VAL A 223 1.328 -1.317 1.876 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.385 -2.113 2.630 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.467 -0.527 2.850 1.00 0.39 C ATOM 0 H VAL A 223 0.066 -0.189 0.033 1.00 0.35 H new ATOM 0 HA VAL A 223 2.397 0.491 1.381 1.00 0.39 H new ATOM 0 HB VAL A 223 0.692 -2.017 1.335 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.899 -2.775 3.347 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.966 -2.707 1.924 1.00 0.49 H new ATOM 0 HG13 VAL A 223 3.048 -1.428 3.159 1.00 0.49 H new ATOM 0 HG21 VAL A 223 0.009 -1.209 3.566 1.00 0.39 H new ATOM 0 HG22 VAL A 223 1.087 0.195 3.381 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.313 0.000 2.301 1.00 0.39 H new ATOM 294 N ILE A 224 2.792 -2.047 -0.725 1.00 0.40 N ATOM 295 CA ILE A 224 3.811 -2.798 -1.447 1.00 0.42 C ATOM 296 C ILE A 224 4.733 -1.851 -2.207 1.00 0.39 C ATOM 297 O ILE A 224 5.922 -2.119 -2.365 1.00 0.39 O ATOM 298 CB ILE A 224 3.192 -3.823 -2.425 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.215 -3.140 -3.383 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.495 -4.934 -1.655 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.847 -2.692 -4.684 1.00 0.46 C ATOM 0 H ILE A 224 1.832 -2.311 -0.945 1.00 0.40 H new ATOM 0 HA ILE A 224 4.388 -3.350 -0.706 1.00 0.42 H new ATOM 0 HB ILE A 224 3.996 -4.261 -3.016 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.398 -3.827 -3.604 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.778 -2.274 -2.885 1.00 0.46 H new ATOM 0 HG21 ILE A 224 2.064 -5.648 -2.357 1.00 0.51 H new ATOM 0 HG22 ILE A 224 3.217 -5.443 -1.017 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.703 -4.508 -1.039 1.00 0.51 H new ATOM 0 HD11 ILE A 224 2.092 -2.217 -5.311 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.645 -1.980 -4.474 1.00 0.46 H new ATOM 0 HD13 ILE A 224 3.259 -3.556 -5.205 1.00 0.46 H new ATOM 313 N CYS A 225 4.171 -0.744 -2.678 1.00 0.38 N ATOM 314 CA CYS A 225 4.944 0.257 -3.406 1.00 0.36 C ATOM 315 C CYS A 225 5.947 0.936 -2.477 1.00 0.34 C ATOM 316 O CYS A 225 7.053 1.286 -2.886 1.00 0.34 O ATOM 317 CB CYS A 225 4.012 1.305 -4.019 1.00 0.36 C ATOM 318 SG CYS A 225 4.864 2.570 -4.991 1.00 1.36 S ATOM 0 H CYS A 225 3.183 -0.516 -2.569 1.00 0.38 H new ATOM 0 HA CYS A 225 5.489 -0.245 -4.206 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.285 0.801 -4.656 1.00 0.36 H new ATOM 0 HB3 CYS A 225 3.453 1.791 -3.219 1.00 0.36 H new ATOM 0 HG CYS A 225 3.994 3.409 -5.470 1.00 1.36 H new ATOM 324 N LEU A 226 5.542 1.112 -1.223 1.00 0.35 N ATOM 325 CA LEU A 226 6.381 1.759 -0.218 1.00 0.35 C ATOM 326 C LEU A 226 7.571 0.890 0.183 1.00 0.31 C ATOM 327 O LEU A 226 8.715 1.346 0.156 1.00 0.29 O ATOM 328 CB LEU A 226 5.545 2.098 1.019 1.00 0.40 C ATOM 329 CG LEU A 226 4.968 3.516 1.050 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.064 3.760 -0.150 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.210 3.751 2.346 1.00 0.51 C ATOM 0 H LEU A 226 4.631 0.813 -0.876 1.00 0.35 H new ATOM 0 HA LEU A 226 6.776 2.674 -0.660 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.722 1.387 1.087 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.163 1.956 1.905 1.00 0.40 H new ATOM 0 HG LEU A 226 5.796 4.223 0.999 1.00 0.46 H new ATOM 0 HD11 LEU A 226 3.666 4.774 -0.106 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.637 3.635 -1.069 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.240 3.046 -0.136 1.00 0.44 H new ATOM 0 HD21 LEU A 226 3.806 4.763 2.353 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.393 3.034 2.425 1.00 0.51 H new ATOM 0 HD23 LEU A 226 4.887 3.625 3.191 1.00 0.51 H new ATOM 343 N ILE A 227 7.300 -0.359 0.552 1.00 0.33 N ATOM 344 CA ILE A 227 8.355 -1.278 0.974 1.00 0.31 C ATOM 345 C ILE A 227 9.466 -1.378 -0.066 1.00 0.25 C ATOM 346 O ILE A 227 10.637 -1.509 0.284 1.00 0.22 O ATOM 347 CB ILE A 227 7.814 -2.689 1.273 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.146 -3.289 0.037 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.838 -2.641 2.438 1.00 0.45 C ATOM 350 CD1 ILE A 227 7.316 -4.788 -0.068 1.00 0.46 C ATOM 0 H ILE A 227 6.361 -0.758 0.568 1.00 0.33 H new ATOM 0 HA ILE A 227 8.763 -0.860 1.894 1.00 0.31 H new ATOM 0 HB ILE A 227 8.653 -3.329 1.546 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.082 -3.052 0.056 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.561 -2.820 -0.855 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.463 -3.644 2.640 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.347 -2.259 3.323 1.00 0.45 H new ATOM 0 HG23 ILE A 227 6.004 -1.985 2.187 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.818 -5.149 -0.968 1.00 0.46 H new ATOM 0 HD12 ILE A 227 8.377 -5.031 -0.119 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.876 -5.266 0.807 1.00 0.46 H new ATOM 362 N ILE A 228 9.098 -1.325 -1.342 1.00 0.24 N ATOM 363 CA ILE A 228 10.076 -1.416 -2.419 1.00 0.21 C ATOM 364 C ILE A 228 11.009 -0.211 -2.388 1.00 0.17 C ATOM 365 O ILE A 228 12.205 -0.328 -2.650 1.00 0.17 O ATOM 366 CB ILE A 228 9.388 -1.496 -3.796 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.502 -2.740 -3.871 1.00 0.29 C ATOM 368 CG2 ILE A 228 10.424 -1.511 -4.912 1.00 0.27 C ATOM 369 CD1 ILE A 228 7.554 -2.737 -5.050 1.00 0.36 C ATOM 0 H ILE A 228 8.133 -1.220 -1.654 1.00 0.24 H new ATOM 0 HA ILE A 228 10.652 -2.329 -2.266 1.00 0.21 H new ATOM 0 HB ILE A 228 8.762 -0.613 -3.924 1.00 0.26 H new ATOM 0 HG12 ILE A 228 9.136 -3.625 -3.927 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.924 -2.820 -2.950 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.919 -1.568 -5.876 1.00 0.27 H new ATOM 0 HG22 ILE A 228 11.020 -0.599 -4.867 1.00 0.27 H new ATOM 0 HG23 ILE A 228 11.076 -2.377 -4.792 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.957 -3.649 -5.039 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.895 -1.871 -4.985 1.00 0.36 H new ATOM 0 HD13 ILE A 228 8.126 -2.688 -5.977 1.00 0.36 H new ATOM 381 N VAL A 229 10.442 0.944 -2.063 1.00 0.17 N ATOM 382 CA VAL A 229 11.204 2.181 -1.985 1.00 0.18 C ATOM 383 C VAL A 229 12.309 2.080 -0.936 1.00 0.14 C ATOM 384 O VAL A 229 13.462 2.426 -1.201 1.00 0.17 O ATOM 385 CB VAL A 229 10.284 3.368 -1.649 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.094 4.631 -1.387 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.280 3.596 -2.768 1.00 0.30 C ATOM 0 H VAL A 229 9.450 1.048 -1.848 1.00 0.17 H new ATOM 0 HA VAL A 229 11.660 2.347 -2.961 1.00 0.18 H new ATOM 0 HB VAL A 229 9.737 3.126 -0.738 1.00 0.24 H new ATOM 0 HG11 VAL A 229 10.419 5.454 -1.152 1.00 0.27 H new ATOM 0 HG12 VAL A 229 11.768 4.463 -0.547 1.00 0.27 H new ATOM 0 HG13 VAL A 229 11.676 4.881 -2.274 1.00 0.27 H new ATOM 0 HG21 VAL A 229 8.637 4.439 -2.514 1.00 0.30 H new ATOM 0 HG22 VAL A 229 9.811 3.811 -3.695 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.671 2.702 -2.898 1.00 0.30 H new ATOM 397 N TRP A 230 11.953 1.602 0.254 1.00 0.14 N ATOM 398 CA TRP A 230 12.916 1.459 1.339 1.00 0.16 C ATOM 399 C TRP A 230 13.875 0.312 1.057 1.00 0.12 C ATOM 400 O TRP A 230 15.071 0.410 1.314 1.00 0.17 O ATOM 401 CB TRP A 230 12.202 1.220 2.672 1.00 0.24 C ATOM 402 CG TRP A 230 11.723 2.478 3.329 1.00 0.32 C ATOM 403 CD1 TRP A 230 12.494 3.461 3.878 1.00 0.35 C ATOM 404 CD2 TRP A 230 10.364 2.883 3.515 1.00 0.40 C ATOM 405 NE1 TRP A 230 11.696 4.456 4.390 1.00 0.43 N ATOM 406 CE2 TRP A 230 10.384 4.124 4.179 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.132 2.318 3.182 1.00 0.44 C ATOM 408 CZ2 TRP A 230 9.220 4.807 4.517 1.00 0.56 C ATOM 409 CZ3 TRP A 230 7.976 2.997 3.517 1.00 0.54 C ATOM 410 CH2 TRP A 230 8.026 4.230 4.178 1.00 0.59 C ATOM 0 H TRP A 230 11.005 1.308 0.490 1.00 0.14 H new ATOM 0 HA TRP A 230 13.484 2.387 1.406 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.351 0.560 2.506 1.00 0.24 H new ATOM 0 HB3 TRP A 230 12.880 0.701 3.350 1.00 0.24 H new ATOM 0 HD1 TRP A 230 13.574 3.458 3.906 1.00 0.35 H new ATOM 0 HE1 TRP A 230 12.027 5.303 4.852 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.083 1.367 2.672 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 9.257 5.758 5.028 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.017 2.569 3.264 1.00 0.54 H new ATOM 0 HH2 TRP A 230 7.104 4.736 4.425 1.00 0.59 H new ATOM 421 N ALA A 231 13.335 -0.773 0.522 1.00 0.11 N ATOM 422 CA ALA A 231 14.126 -1.956 0.207 1.00 0.16 C ATOM 423 C ALA A 231 15.182 -1.659 -0.854 1.00 0.20 C ATOM 424 O ALA A 231 16.033 -2.498 -1.145 1.00 0.29 O ATOM 425 CB ALA A 231 13.209 -3.075 -0.256 1.00 0.20 C ATOM 0 H ALA A 231 12.344 -0.860 0.295 1.00 0.11 H new ATOM 0 HA ALA A 231 14.650 -2.267 1.111 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.803 -3.958 -0.491 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.499 -3.315 0.536 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.666 -2.756 -1.146 1.00 0.20 H new ATOM 431 N VAL A 232 15.111 -0.467 -1.432 1.00 0.21 N ATOM 432 CA VAL A 232 16.067 -0.051 -2.452 1.00 0.33 C ATOM 433 C VAL A 232 16.846 1.173 -1.979 1.00 0.39 C ATOM 434 O VAL A 232 17.763 1.654 -2.643 1.00 0.50 O ATOM 435 CB VAL A 232 15.358 0.234 -3.792 1.00 0.37 C ATOM 436 CG1 VAL A 232 16.309 0.870 -4.794 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.776 -1.056 -4.344 1.00 0.37 C ATOM 0 H VAL A 232 14.400 0.231 -1.212 1.00 0.21 H new ATOM 0 HA VAL A 232 16.770 -0.867 -2.616 1.00 0.33 H new ATOM 0 HB VAL A 232 14.550 0.943 -3.615 1.00 0.37 H new ATOM 0 HG11 VAL A 232 15.780 1.059 -5.728 1.00 0.51 H new ATOM 0 HG12 VAL A 232 16.684 1.811 -4.393 1.00 0.51 H new ATOM 0 HG13 VAL A 232 17.145 0.196 -4.980 1.00 0.51 H new ATOM 0 HG21 VAL A 232 14.275 -0.853 -5.291 1.00 0.37 H new ATOM 0 HG22 VAL A 232 15.577 -1.777 -4.504 1.00 0.37 H new ATOM 0 HG23 VAL A 232 14.057 -1.464 -3.633 1.00 0.37 H new ATOM 447 N ALA A 233 16.497 1.639 -0.790 1.00 0.33 N ATOM 448 CA ALA A 233 17.161 2.779 -0.187 1.00 0.41 C ATOM 449 C ALA A 233 17.816 2.320 1.105 1.00 0.44 C ATOM 450 O ALA A 233 18.481 3.082 1.804 1.00 0.52 O ATOM 451 CB ALA A 233 16.172 3.906 0.075 1.00 0.37 C ATOM 0 H ALA A 233 15.751 1.240 -0.221 1.00 0.33 H new ATOM 0 HA ALA A 233 17.919 3.168 -0.867 1.00 0.41 H new ATOM 0 HB1 ALA A 233 16.693 4.750 0.527 1.00 0.37 H new ATOM 0 HB2 ALA A 233 15.721 4.220 -0.866 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.392 3.556 0.752 1.00 0.37 H new ATOM 457 N LEU A 234 17.596 1.042 1.393 1.00 0.39 N ATOM 458 CA LEU A 234 18.150 0.371 2.558 1.00 0.46 C ATOM 459 C LEU A 234 19.011 -0.783 2.069 1.00 0.53 C ATOM 460 O LEU A 234 19.481 -1.612 2.849 1.00 0.60 O ATOM 461 CB LEU A 234 17.029 -0.175 3.451 1.00 0.42 C ATOM 462 CG LEU A 234 16.393 0.813 4.436 1.00 0.43 C ATOM 463 CD1 LEU A 234 15.985 2.102 3.739 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.189 0.172 5.106 1.00 0.45 C ATOM 0 H LEU A 234 17.018 0.435 0.812 1.00 0.39 H new ATOM 0 HA LEU A 234 18.740 1.077 3.142 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.242 -0.569 2.808 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.426 -1.016 4.020 1.00 0.42 H new ATOM 0 HG LEU A 234 17.135 1.064 5.194 1.00 0.43 H new ATOM 0 HD11 LEU A 234 15.537 2.782 4.464 1.00 0.39 H new ATOM 0 HD12 LEU A 234 16.864 2.571 3.297 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.261 1.879 2.956 1.00 0.39 H new ATOM 0 HD21 LEU A 234 14.742 0.879 5.805 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.455 -0.103 4.349 1.00 0.45 H new ATOM 0 HD23 LEU A 234 15.505 -0.720 5.646 1.00 0.45 H new ATOM 476 N LYS A 235 19.205 -0.813 0.752 1.00 0.53 N ATOM 477 CA LYS A 235 19.973 -1.856 0.096 1.00 0.61 C ATOM 478 C LYS A 235 21.241 -1.286 -0.539 1.00 0.74 C ATOM 479 O LYS A 235 21.663 -1.723 -1.611 1.00 0.82 O ATOM 480 CB LYS A 235 19.104 -2.522 -0.971 1.00 0.54 C ATOM 481 CG LYS A 235 18.837 -3.997 -0.729 1.00 0.55 C ATOM 482 CD LYS A 235 18.350 -4.256 0.684 1.00 0.53 C ATOM 483 CE LYS A 235 17.100 -5.104 0.690 1.00 0.49 C ATOM 484 NZ LYS A 235 16.799 -5.649 2.043 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.831 -0.111 0.113 1.00 0.53 H new ATOM 0 HA LYS A 235 20.274 -2.593 0.840 1.00 0.61 H new ATOM 0 HB2 LYS A 235 18.151 -1.997 -1.026 1.00 0.54 H new ATOM 0 HB3 LYS A 235 19.588 -2.407 -1.941 1.00 0.54 H new ATOM 0 HG2 LYS A 235 18.093 -4.353 -1.441 1.00 0.55 H new ATOM 0 HG3 LYS A 235 19.749 -4.566 -0.909 1.00 0.55 H new ATOM 0 HD2 LYS A 235 19.133 -4.756 1.254 1.00 0.53 H new ATOM 0 HD3 LYS A 235 18.150 -3.307 1.181 1.00 0.53 H new ATOM 0 HE2 LYS A 235 16.256 -4.507 0.344 1.00 0.49 H new ATOM 0 HE3 LYS A 235 17.218 -5.928 -0.014 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 15.934 -6.224 2.001 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 17.592 -6.240 2.364 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 16.660 -4.864 2.711 1.00 0.56 H new ATOM 498 N GLY A 236 21.846 -0.311 0.135 1.00 1.13 N ATOM 499 CA GLY A 236 23.058 0.306 -0.378 1.00 1.30 C ATOM 500 C GLY A 236 23.376 1.635 0.285 1.00 1.58 C ATOM 501 O GLY A 236 24.366 2.283 -0.057 1.00 1.97 O ATOM 0 H GLY A 236 21.519 0.063 1.026 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.896 -0.376 -0.232 1.00 1.30 H new ATOM 0 HA3 GLY A 236 22.955 0.458 -1.452 1.00 1.30 H new ATOM 505 N TYR A 237 22.537 2.046 1.233 1.00 1.55 N ATOM 506 CA TYR A 237 22.740 3.302 1.942 1.00 1.93 C ATOM 507 C TYR A 237 23.677 3.104 3.133 1.00 2.68 C ATOM 508 O TYR A 237 24.316 4.049 3.596 1.00 3.13 O ATOM 509 CB TYR A 237 21.383 3.861 2.395 1.00 1.48 C ATOM 510 CG TYR A 237 21.393 4.504 3.766 1.00 1.63 C ATOM 511 CD1 TYR A 237 21.762 5.833 3.922 1.00 2.12 C ATOM 512 CD2 TYR A 237 21.035 3.783 4.898 1.00 2.15 C ATOM 513 CE1 TYR A 237 21.775 6.428 5.171 1.00 2.76 C ATOM 514 CE2 TYR A 237 21.045 4.371 6.150 1.00 2.91 C ATOM 515 CZ TYR A 237 21.408 5.676 6.288 1.00 3.10 C ATOM 516 OH TYR A 237 21.425 6.281 7.524 1.00 4.00 O ATOM 0 H TYR A 237 21.710 1.525 1.526 1.00 1.55 H new ATOM 0 HA TYR A 237 23.209 4.021 1.270 1.00 1.93 H new ATOM 0 HB2 TYR A 237 21.046 4.597 1.665 1.00 1.48 H new ATOM 0 HB3 TYR A 237 20.652 3.052 2.393 1.00 1.48 H new ATOM 0 HD1 TYR A 237 22.043 6.412 3.055 1.00 2.12 H new ATOM 0 HD2 TYR A 237 20.744 2.748 4.799 1.00 2.15 H new ATOM 0 HE1 TYR A 237 22.066 7.462 5.280 1.00 2.76 H new ATOM 0 HE2 TYR A 237 20.765 3.794 7.019 1.00 2.91 H new ATOM 0 HH TYR A 237 21.145 5.637 8.207 1.00 4.00 H new ATOM 526 N SER A 238 23.756 1.868 3.613 1.00 3.04 N ATOM 527 CA SER A 238 24.610 1.542 4.751 1.00 3.95 C ATOM 528 C SER A 238 26.084 1.594 4.360 1.00 4.58 C ATOM 529 O SER A 238 26.960 1.668 5.222 1.00 5.29 O ATOM 530 CB SER A 238 24.262 0.155 5.290 1.00 4.49 C ATOM 531 OG SER A 238 25.082 -0.183 6.397 1.00 4.96 O ATOM 0 H SER A 238 23.240 1.075 3.233 1.00 3.04 H new ATOM 0 HA SER A 238 24.435 2.284 5.530 1.00 3.95 H new ATOM 0 HB2 SER A 238 23.214 0.130 5.589 1.00 4.49 H new ATOM 0 HB3 SER A 238 24.387 -0.587 4.501 1.00 4.49 H new ATOM 0 HG SER A 238 25.868 0.403 6.413 1.00 4.96 H new ATOM 537 N MET A 239 26.352 1.557 3.057 1.00 4.61 N ATOM 538 CA MET A 239 27.721 1.597 2.558 1.00 5.54 C ATOM 539 C MET A 239 28.003 2.902 1.822 1.00 5.88 C ATOM 540 O MET A 239 28.669 2.912 0.786 1.00 6.64 O ATOM 541 CB MET A 239 27.982 0.408 1.631 1.00 5.96 C ATOM 542 CG MET A 239 27.766 -0.942 2.294 1.00 6.04 C ATOM 543 SD MET A 239 28.259 -2.321 1.240 1.00 6.88 S ATOM 544 CE MET A 239 27.162 -2.093 -0.157 1.00 6.96 C ATOM 0 H MET A 239 25.639 1.499 2.330 1.00 4.61 H new ATOM 0 HA MET A 239 28.391 1.538 3.415 1.00 5.54 H new ATOM 0 HB2 MET A 239 27.328 0.485 0.763 1.00 5.96 H new ATOM 0 HB3 MET A 239 29.007 0.463 1.264 1.00 5.96 H new ATOM 0 HG2 MET A 239 28.333 -0.980 3.224 1.00 6.04 H new ATOM 0 HG3 MET A 239 26.714 -1.049 2.557 1.00 6.04 H new ATOM 0 HE1 MET A 239 27.124 -3.011 -0.744 1.00 6.96 H new ATOM 0 HE2 MET A 239 26.162 -1.850 0.202 1.00 6.96 H new ATOM 0 HE3 MET A 239 27.531 -1.279 -0.780 1.00 6.96 H new ATOM 554 N VAL A 240 27.494 4.005 2.364 1.00 5.58 N ATOM 555 CA VAL A 240 27.697 5.318 1.757 1.00 6.19 C ATOM 556 C VAL A 240 29.164 5.732 1.820 1.00 7.44 C ATOM 557 O VAL A 240 29.880 5.521 0.818 1.00 7.88 O ATOM 558 CB VAL A 240 26.835 6.401 2.439 1.00 5.82 C ATOM 559 CG1 VAL A 240 25.427 6.407 1.863 1.00 4.89 C ATOM 560 CG2 VAL A 240 26.797 6.187 3.947 1.00 5.70 C ATOM 561 OXT VAL A 240 29.587 6.264 2.868 1.00 8.12 O ATOM 0 H VAL A 240 26.939 4.016 3.220 1.00 5.58 H new ATOM 0 HA VAL A 240 27.391 5.232 0.714 1.00 6.19 H new ATOM 0 HB VAL A 240 27.289 7.372 2.243 1.00 5.82 H new ATOM 0 HG11 VAL A 240 24.835 7.177 2.357 1.00 4.89 H new ATOM 0 HG12 VAL A 240 25.472 6.614 0.794 1.00 4.89 H new ATOM 0 HG13 VAL A 240 24.963 5.434 2.025 1.00 4.89 H new ATOM 0 HG21 VAL A 240 26.184 6.961 4.409 1.00 5.70 H new ATOM 0 HG22 VAL A 240 26.370 5.208 4.165 1.00 5.70 H new ATOM 0 HG23 VAL A 240 27.809 6.239 4.347 1.00 5.70 H new TER 571 VAL A 240