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 45:sc= 0.712 USER MOD Single : A 207 THR OG1 : rot 6:sc= 0.699 USER MOD Single : A 208 MET CE :methyl 161:sc= -0.109 (180deg=-0.613) USER MOD Single : A 209 ASN : amide:sc=-0.00527 K(o=-0.0053,f=-0.97) 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 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 239 MET CE :methyl -163:sc= -0.136 (180deg=-0.592) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -33.130 -1.938 5.466 1.00 11.27 N ATOM 2 CA GLY A 204 -33.432 -0.953 4.390 1.00 10.74 C ATOM 3 C GLY A 204 -32.489 -1.076 3.209 1.00 10.08 C ATOM 4 O GLY A 204 -31.324 -1.441 3.372 1.00 10.33 O ATOM 0 HA2 GLY A 204 -34.457 -1.096 4.049 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -33.369 0.056 4.797 1.00 10.74 H new ATOM 10 N SER A 205 -32.993 -0.770 2.017 1.00 9.44 N ATOM 11 CA SER A 205 -32.188 -0.847 0.803 1.00 8.98 C ATOM 12 C SER A 205 -31.810 0.549 0.316 1.00 8.39 C ATOM 13 O SER A 205 -32.520 1.152 -0.490 1.00 8.34 O ATOM 14 CB SER A 205 -32.949 -1.597 -0.291 1.00 9.23 C ATOM 15 OG SER A 205 -34.185 -0.967 -0.579 1.00 10.03 O ATOM 0 H SER A 205 -33.955 -0.466 1.866 1.00 9.44 H new ATOM 0 HA SER A 205 -31.273 -1.392 1.034 1.00 8.98 H new ATOM 0 HB2 SER A 205 -32.341 -1.642 -1.195 1.00 9.23 H new ATOM 0 HB3 SER A 205 -33.127 -2.625 0.025 1.00 9.23 H new ATOM 0 HG SER A 205 -34.050 0.001 -0.650 1.00 10.03 H new ATOM 21 N PHE A 206 -30.684 1.055 0.810 1.00 8.19 N ATOM 22 CA PHE A 206 -30.208 2.379 0.429 1.00 7.85 C ATOM 23 C PHE A 206 -29.324 2.309 -0.813 1.00 7.28 C ATOM 24 O PHE A 206 -28.567 3.238 -1.101 1.00 7.58 O ATOM 25 CB PHE A 206 -29.434 3.014 1.586 1.00 8.48 C ATOM 26 CG PHE A 206 -30.256 3.200 2.831 1.00 8.90 C ATOM 27 CD1 PHE A 206 -31.017 4.346 3.011 1.00 9.52 C ATOM 28 CD2 PHE A 206 -30.269 2.230 3.821 1.00 8.94 C ATOM 29 CE1 PHE A 206 -31.775 4.518 4.154 1.00 10.16 C ATOM 30 CE2 PHE A 206 -31.026 2.398 4.965 1.00 9.58 C ATOM 31 CZ PHE A 206 -31.772 3.548 5.135 1.00 10.18 C ATOM 0 H PHE A 206 -30.084 0.567 1.475 1.00 8.19 H new ATOM 0 HA PHE A 206 -31.076 2.996 0.196 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -28.571 2.390 1.820 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -29.050 3.983 1.267 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -31.017 5.112 2.250 1.00 9.52 H new ATOM 0 HD2 PHE A 206 -29.681 1.333 3.697 1.00 8.94 H new ATOM 0 HE1 PHE A 206 -32.369 5.411 4.279 1.00 10.16 H new ATOM 0 HE2 PHE A 206 -31.034 1.631 5.725 1.00 9.58 H new ATOM 0 HZ PHE A 206 -32.352 3.688 6.035 1.00 10.18 H new ATOM 41 N THR A 207 -29.429 1.198 -1.542 1.00 6.75 N ATOM 42 CA THR A 207 -28.650 0.987 -2.760 1.00 6.52 C ATOM 43 C THR A 207 -27.167 1.272 -2.532 1.00 5.52 C ATOM 44 O THR A 207 -26.521 1.938 -3.339 1.00 5.53 O ATOM 45 CB THR A 207 -29.161 1.865 -3.919 1.00 7.16 C ATOM 46 OG1 THR A 207 -28.939 3.249 -3.629 1.00 7.94 O ATOM 47 CG2 THR A 207 -30.644 1.625 -4.163 1.00 7.52 C ATOM 0 H THR A 207 -30.052 0.425 -1.307 1.00 6.75 H new ATOM 0 HA THR A 207 -28.774 -0.062 -3.029 1.00 6.52 H new ATOM 0 HB THR A 207 -28.609 1.594 -4.819 1.00 7.16 H new ATOM 0 HG1 THR A 207 -28.424 3.331 -2.799 1.00 7.94 H new ATOM 0 HG21 THR A 207 -30.984 2.255 -4.985 1.00 7.52 H new ATOM 0 HG22 THR A 207 -30.806 0.578 -4.417 1.00 7.52 H new ATOM 0 HG23 THR A 207 -31.205 1.871 -3.262 1.00 7.52 H new ATOM 55 N MET A 208 -26.633 0.755 -1.430 1.00 4.97 N ATOM 56 CA MET A 208 -25.227 0.955 -1.096 1.00 4.29 C ATOM 57 C MET A 208 -24.346 -0.067 -1.808 1.00 3.61 C ATOM 58 O MET A 208 -24.748 -1.215 -2.008 1.00 3.96 O ATOM 59 CB MET A 208 -25.022 0.858 0.417 1.00 4.65 C ATOM 60 CG MET A 208 -23.611 1.207 0.865 1.00 5.27 C ATOM 61 SD MET A 208 -23.363 0.968 2.635 1.00 5.92 S ATOM 62 CE MET A 208 -23.539 -0.809 2.767 1.00 6.74 C ATOM 0 H MET A 208 -27.152 0.195 -0.754 1.00 4.97 H new ATOM 0 HA MET A 208 -24.938 1.951 -1.432 1.00 4.29 H new ATOM 0 HB2 MET A 208 -25.727 1.524 0.914 1.00 4.65 H new ATOM 0 HB3 MET A 208 -25.257 -0.155 0.743 1.00 4.65 H new ATOM 0 HG2 MET A 208 -22.898 0.592 0.316 1.00 5.27 H new ATOM 0 HG3 MET A 208 -23.400 2.245 0.610 1.00 5.27 H new ATOM 0 HE1 MET A 208 -23.092 -1.151 3.700 1.00 6.74 H new ATOM 0 HE2 MET A 208 -24.597 -1.072 2.754 1.00 6.74 H new ATOM 0 HE3 MET A 208 -23.036 -1.288 1.927 1.00 6.74 H new ATOM 72 N ASN A 209 -23.145 0.357 -2.189 1.00 3.19 N ATOM 73 CA ASN A 209 -22.205 -0.521 -2.876 1.00 3.10 C ATOM 74 C ASN A 209 -20.932 -0.703 -2.054 1.00 2.76 C ATOM 75 O ASN A 209 -20.550 0.174 -1.279 1.00 3.19 O ATOM 76 CB ASN A 209 -21.859 0.043 -4.256 1.00 3.66 C ATOM 77 CG ASN A 209 -23.039 0.007 -5.208 1.00 4.37 C ATOM 78 OD1 ASN A 209 -23.911 -0.854 -5.102 1.00 4.83 O ATOM 79 ND2 ASN A 209 -23.068 0.944 -6.149 1.00 4.91 N ATOM 0 H ASN A 209 -22.800 1.304 -2.033 1.00 3.19 H new ATOM 0 HA ASN A 209 -22.680 -1.494 -2.999 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -21.513 1.071 -4.149 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -21.034 -0.528 -4.682 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -23.835 0.969 -6.821 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -22.323 1.639 -6.200 1.00 4.91 H new ATOM 86 N ASP A 210 -20.280 -1.851 -2.229 1.00 2.20 N ATOM 87 CA ASP A 210 -19.054 -2.155 -1.510 1.00 1.85 C ATOM 88 C ASP A 210 -17.912 -1.250 -1.958 1.00 1.67 C ATOM 89 O ASP A 210 -17.142 -1.604 -2.850 1.00 1.70 O ATOM 90 CB ASP A 210 -18.665 -3.610 -1.725 1.00 1.87 C ATOM 91 CG ASP A 210 -19.670 -4.576 -1.130 1.00 2.29 C ATOM 92 OD1 ASP A 210 -20.727 -4.795 -1.759 1.00 2.79 O ATOM 93 OD2 ASP A 210 -19.399 -5.119 -0.037 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.586 -2.586 -2.867 1.00 2.20 H new ATOM 0 HA ASP A 210 -19.238 -1.980 -0.450 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -18.570 -3.803 -2.794 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -17.686 -3.790 -1.280 1.00 1.87 H new ATOM 98 N THR A 211 -17.815 -0.085 -1.337 1.00 1.54 N ATOM 99 CA THR A 211 -16.764 0.870 -1.667 1.00 1.39 C ATOM 100 C THR A 211 -15.597 0.760 -0.696 1.00 1.19 C ATOM 101 O THR A 211 -14.487 0.399 -1.087 1.00 1.05 O ATOM 102 CB THR A 211 -17.287 2.318 -1.661 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.400 2.441 -2.555 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.187 3.284 -2.078 1.00 1.34 C ATOM 0 H THR A 211 -18.450 0.224 -0.601 1.00 1.54 H new ATOM 0 HA THR A 211 -16.424 0.623 -2.673 1.00 1.39 H new ATOM 0 HB THR A 211 -17.608 2.565 -0.649 1.00 1.44 H new ATOM 0 HG1 THR A 211 -18.728 3.364 -2.544 1.00 1.62 H new ATOM 0 HG21 THR A 211 -16.574 4.303 -2.068 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.352 3.207 -1.382 1.00 1.34 H new ATOM 0 HG23 THR A 211 -15.846 3.035 -3.083 1.00 1.34 H new ATOM 112 N THR A 212 -15.858 1.067 0.575 1.00 1.20 N ATOM 113 CA THR A 212 -14.832 1.007 1.610 1.00 1.06 C ATOM 114 C THR A 212 -14.131 -0.346 1.598 1.00 0.95 C ATOM 115 O THR A 212 -12.973 -0.463 2.003 1.00 0.80 O ATOM 116 CB THR A 212 -15.428 1.250 3.010 1.00 1.16 C ATOM 117 OG1 THR A 212 -16.184 2.467 3.017 1.00 1.30 O ATOM 118 CG2 THR A 212 -14.333 1.325 4.063 1.00 1.05 C ATOM 0 H THR A 212 -16.775 1.360 0.911 1.00 1.20 H new ATOM 0 HA THR A 212 -14.111 1.795 1.391 1.00 1.06 H new ATOM 0 HB THR A 212 -16.083 0.412 3.249 1.00 1.16 H new ATOM 0 HG1 THR A 212 -16.561 2.613 3.910 1.00 1.30 H new ATOM 0 HG21 THR A 212 -14.781 1.497 5.042 1.00 1.05 H new ATOM 0 HG22 THR A 212 -13.778 0.387 4.078 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.655 2.145 3.825 1.00 1.05 H new ATOM 126 N VAL A 213 -14.844 -1.362 1.127 1.00 1.07 N ATOM 127 CA VAL A 213 -14.299 -2.710 1.047 1.00 1.04 C ATOM 128 C VAL A 213 -13.002 -2.717 0.244 1.00 0.87 C ATOM 129 O VAL A 213 -12.035 -3.384 0.610 1.00 0.79 O ATOM 130 CB VAL A 213 -15.308 -3.678 0.399 1.00 1.21 C ATOM 131 CG1 VAL A 213 -14.762 -5.095 0.370 1.00 1.21 C ATOM 132 CG2 VAL A 213 -16.638 -3.629 1.135 1.00 1.41 C ATOM 0 H VAL A 213 -15.804 -1.276 0.794 1.00 1.07 H new ATOM 0 HA VAL A 213 -14.095 -3.044 2.064 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.471 -3.361 -0.631 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -15.494 -5.758 -0.092 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -13.837 -5.117 -0.207 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -14.562 -5.429 1.388 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -17.340 -4.318 0.665 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -16.489 -3.917 2.176 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -17.040 -2.617 1.093 1.00 1.41 H new ATOM 142 N TRP A 214 -12.992 -1.965 -0.854 1.00 0.85 N ATOM 143 CA TRP A 214 -11.814 -1.869 -1.707 1.00 0.74 C ATOM 144 C TRP A 214 -10.836 -0.830 -1.168 1.00 0.59 C ATOM 145 O TRP A 214 -9.630 -0.939 -1.381 1.00 0.51 O ATOM 146 CB TRP A 214 -12.214 -1.511 -3.139 1.00 0.83 C ATOM 147 CG TRP A 214 -13.062 -2.556 -3.799 1.00 1.03 C ATOM 148 CD1 TRP A 214 -14.416 -2.536 -3.952 1.00 1.21 C ATOM 149 CD2 TRP A 214 -12.607 -3.777 -4.394 1.00 1.11 C ATOM 150 NE1 TRP A 214 -14.835 -3.670 -4.606 1.00 1.37 N ATOM 151 CE2 TRP A 214 -13.742 -4.449 -4.888 1.00 1.31 C ATOM 152 CE3 TRP A 214 -11.352 -4.369 -4.558 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -13.657 -5.679 -5.534 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -11.268 -5.590 -5.199 1.00 1.26 C ATOM 155 CH2 TRP A 214 -12.415 -6.234 -5.681 1.00 1.42 C ATOM 0 H TRP A 214 -13.788 -1.413 -1.173 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.323 -2.842 -1.710 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -12.756 -0.565 -3.131 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.313 -1.357 -3.732 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.065 -1.744 -3.609 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -15.801 -3.895 -4.843 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -10.462 -3.880 -4.190 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -14.540 -6.178 -5.906 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -10.302 -6.056 -5.331 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -12.317 -7.188 -6.179 1.00 1.42 H new ATOM 166 N ILE A 215 -11.363 0.180 -0.477 1.00 0.61 N ATOM 167 CA ILE A 215 -10.525 1.230 0.097 1.00 0.53 C ATOM 168 C ILE A 215 -9.454 0.622 0.994 1.00 0.42 C ATOM 169 O ILE A 215 -8.293 1.032 0.954 1.00 0.33 O ATOM 170 CB ILE A 215 -11.365 2.260 0.894 1.00 0.64 C ATOM 171 CG1 ILE A 215 -11.896 3.354 -0.039 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.549 2.880 2.022 1.00 0.60 C ATOM 173 CD1 ILE A 215 -12.806 2.841 -1.133 1.00 0.91 C ATOM 0 H ILE A 215 -12.362 0.293 -0.302 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.045 1.757 -0.728 1.00 0.53 H new ATOM 0 HB ILE A 215 -12.210 1.733 1.337 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.437 4.091 0.554 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.051 3.870 -0.495 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -11.164 3.599 2.564 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -10.219 2.097 2.705 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.679 3.388 1.605 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.139 3.675 -1.750 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.264 2.126 -1.752 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.671 2.351 -0.687 1.00 0.91 H new ATOM 185 N SER A 216 -9.847 -0.353 1.806 1.00 0.46 N ATOM 186 CA SER A 216 -8.907 -1.027 2.690 1.00 0.40 C ATOM 187 C SER A 216 -7.782 -1.634 1.863 1.00 0.29 C ATOM 188 O SER A 216 -6.623 -1.658 2.277 1.00 0.24 O ATOM 189 CB SER A 216 -9.615 -2.116 3.500 1.00 0.49 C ATOM 190 OG SER A 216 -8.709 -2.784 4.361 1.00 1.35 O ATOM 0 H SER A 216 -10.807 -0.692 1.870 1.00 0.46 H new ATOM 0 HA SER A 216 -8.492 -0.300 3.388 1.00 0.40 H new ATOM 0 HB2 SER A 216 -10.419 -1.672 4.087 1.00 0.49 H new ATOM 0 HB3 SER A 216 -10.075 -2.836 2.823 1.00 0.49 H new ATOM 0 HG SER A 216 -9.187 -3.473 4.868 1.00 1.35 H new ATOM 196 N VAL A 217 -8.147 -2.117 0.679 1.00 0.31 N ATOM 197 CA VAL A 217 -7.192 -2.712 -0.238 1.00 0.26 C ATOM 198 C VAL A 217 -6.359 -1.626 -0.906 1.00 0.19 C ATOM 199 O VAL A 217 -5.198 -1.841 -1.260 1.00 0.19 O ATOM 200 CB VAL A 217 -7.912 -3.538 -1.321 1.00 0.38 C ATOM 201 CG1 VAL A 217 -6.914 -4.104 -2.317 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.731 -4.650 -0.683 1.00 0.48 C ATOM 0 H VAL A 217 -9.107 -2.105 0.334 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.541 -3.372 0.336 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.592 -2.880 -1.862 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.443 -4.684 -3.073 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.376 -3.287 -2.797 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.206 -4.748 -1.796 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.233 -5.224 -1.461 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -8.072 -5.307 -0.115 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.475 -4.216 -0.015 1.00 0.48 H new ATOM 212 N ALA A 218 -6.967 -0.456 -1.071 1.00 0.21 N ATOM 213 CA ALA A 218 -6.300 0.680 -1.688 1.00 0.21 C ATOM 214 C ALA A 218 -5.041 1.048 -0.916 1.00 0.14 C ATOM 215 O ALA A 218 -4.015 1.396 -1.500 1.00 0.18 O ATOM 216 CB ALA A 218 -7.245 1.871 -1.750 1.00 0.27 C ATOM 0 H ALA A 218 -7.928 -0.271 -0.783 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.013 0.403 -2.702 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -6.736 2.716 -2.214 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.123 1.608 -2.340 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.554 2.143 -0.741 1.00 0.27 H new ATOM 222 N VAL A 219 -5.136 0.966 0.405 1.00 0.10 N ATOM 223 CA VAL A 219 -4.017 1.287 1.278 1.00 0.14 C ATOM 224 C VAL A 219 -2.907 0.251 1.151 1.00 0.17 C ATOM 225 O VAL A 219 -1.726 0.592 1.186 1.00 0.25 O ATOM 226 CB VAL A 219 -4.469 1.374 2.747 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.367 1.957 3.615 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.739 2.202 2.860 1.00 0.20 C ATOM 0 H VAL A 219 -5.982 0.678 0.896 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.633 2.258 0.966 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.681 0.366 3.104 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.708 2.010 4.649 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.483 1.322 3.556 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -3.118 2.958 3.264 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -6.047 2.255 3.904 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.552 3.208 2.485 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.530 1.737 2.272 1.00 0.20 H new ATOM 238 N LEU A 220 -3.291 -1.017 1.007 1.00 0.15 N ATOM 239 CA LEU A 220 -2.318 -2.097 0.867 1.00 0.20 C ATOM 240 C LEU A 220 -1.414 -1.843 -0.327 1.00 0.21 C ATOM 241 O LEU A 220 -0.193 -1.967 -0.232 1.00 0.26 O ATOM 242 CB LEU A 220 -3.026 -3.441 0.699 1.00 0.20 C ATOM 243 CG LEU A 220 -4.228 -3.652 1.614 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.844 -5.022 1.374 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.822 -3.494 3.073 1.00 0.27 C ATOM 0 H LEU A 220 -4.265 -1.320 0.984 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.713 -2.128 1.773 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.355 -3.535 -0.336 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.306 -4.239 0.879 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.976 -2.894 1.383 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.700 -5.157 2.035 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -5.171 -5.097 0.337 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -4.103 -5.795 1.578 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.692 -3.648 3.711 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -3.056 -4.230 3.319 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.427 -2.491 3.234 1.00 0.27 H new ATOM 257 N SER A 221 -2.026 -1.495 -1.452 1.00 0.20 N ATOM 258 CA SER A 221 -1.275 -1.211 -2.669 1.00 0.25 C ATOM 259 C SER A 221 -0.221 -0.145 -2.396 1.00 0.28 C ATOM 260 O SER A 221 0.876 -0.181 -2.956 1.00 0.33 O ATOM 261 CB SER A 221 -2.215 -0.749 -3.784 1.00 0.27 C ATOM 262 OG SER A 221 -3.183 -1.741 -4.079 1.00 1.14 O ATOM 0 H SER A 221 -3.037 -1.403 -1.547 1.00 0.20 H new ATOM 0 HA SER A 221 -0.778 -2.126 -2.992 1.00 0.25 H new ATOM 0 HB2 SER A 221 -2.714 0.173 -3.485 1.00 0.27 H new ATOM 0 HB3 SER A 221 -1.637 -0.522 -4.680 1.00 0.27 H new ATOM 0 HG SER A 221 -3.772 -1.421 -4.793 1.00 1.14 H new ATOM 268 N ALA A 222 -0.567 0.809 -1.540 1.00 0.28 N ATOM 269 CA ALA A 222 0.350 1.878 -1.174 1.00 0.32 C ATOM 270 C ALA A 222 1.456 1.353 -0.264 1.00 0.35 C ATOM 271 O ALA A 222 2.633 1.648 -0.467 1.00 0.38 O ATOM 272 CB ALA A 222 -0.401 3.013 -0.493 1.00 0.33 C ATOM 0 H ALA A 222 -1.479 0.863 -1.086 1.00 0.28 H new ATOM 0 HA ALA A 222 0.809 2.261 -2.086 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.300 3.804 -0.226 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -1.155 3.410 -1.173 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.887 2.639 0.408 1.00 0.33 H new ATOM 278 N VAL A 223 1.066 0.560 0.732 1.00 0.35 N ATOM 279 CA VAL A 223 2.015 -0.004 1.686 1.00 0.39 C ATOM 280 C VAL A 223 3.095 -0.821 0.984 1.00 0.40 C ATOM 281 O VAL A 223 4.284 -0.621 1.227 1.00 0.42 O ATOM 282 CB VAL A 223 1.301 -0.881 2.739 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.317 -1.585 3.625 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.355 -0.036 3.577 1.00 0.39 C ATOM 0 H VAL A 223 0.096 0.294 0.899 1.00 0.35 H new ATOM 0 HA VAL A 223 2.489 0.836 2.193 1.00 0.39 H new ATOM 0 HB VAL A 223 0.717 -1.640 2.219 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.796 -2.198 4.360 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.957 -2.220 3.012 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.928 -0.843 4.139 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.141 -0.668 4.314 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.920 0.744 4.088 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.393 0.422 2.930 1.00 0.39 H new ATOM 294 N ILE A 224 2.684 -1.744 0.117 1.00 0.40 N ATOM 295 CA ILE A 224 3.642 -2.568 -0.609 1.00 0.42 C ATOM 296 C ILE A 224 4.549 -1.692 -1.465 1.00 0.39 C ATOM 297 O ILE A 224 5.712 -2.018 -1.694 1.00 0.39 O ATOM 298 CB ILE A 224 2.946 -3.622 -1.497 1.00 0.45 C ATOM 299 CG1 ILE A 224 1.946 -2.963 -2.447 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.254 -4.663 -0.631 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.531 -2.624 -3.802 1.00 0.46 C ATOM 0 H ILE A 224 1.706 -1.937 -0.097 1.00 0.40 H new ATOM 0 HA ILE A 224 4.238 -3.100 0.133 1.00 0.42 H new ATOM 0 HB ILE A 224 3.706 -4.117 -2.101 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.095 -3.629 -2.584 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.566 -2.051 -1.986 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.767 -5.401 -1.268 1.00 0.51 H new ATOM 0 HG22 ILE A 224 2.991 -5.159 0.000 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.507 -4.176 -0.003 1.00 0.51 H new ATOM 0 HD11 ILE A 224 1.765 -2.160 -4.423 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.364 -1.933 -3.676 1.00 0.46 H new ATOM 0 HD13 ILE A 224 2.885 -3.535 -4.284 1.00 0.46 H new ATOM 313 N CYS A 225 4.002 -0.581 -1.942 1.00 0.38 N ATOM 314 CA CYS A 225 4.762 0.361 -2.754 1.00 0.36 C ATOM 315 C CYS A 225 5.850 1.018 -1.915 1.00 0.34 C ATOM 316 O CYS A 225 6.944 1.308 -2.403 1.00 0.34 O ATOM 317 CB CYS A 225 3.839 1.434 -3.330 1.00 0.36 C ATOM 318 SG CYS A 225 4.626 2.506 -4.555 1.00 1.36 S ATOM 0 H CYS A 225 3.032 -0.310 -1.780 1.00 0.38 H new ATOM 0 HA CYS A 225 5.224 -0.187 -3.576 1.00 0.36 H new ATOM 0 HB2 CYS A 225 2.977 0.949 -3.788 1.00 0.36 H new ATOM 0 HB3 CYS A 225 3.462 2.050 -2.514 1.00 0.36 H new ATOM 0 HG CYS A 225 3.764 3.379 -4.985 1.00 1.36 H new ATOM 324 N LEU A 226 5.534 1.249 -0.644 1.00 0.35 N ATOM 325 CA LEU A 226 6.462 1.882 0.287 1.00 0.35 C ATOM 326 C LEU A 226 7.709 1.032 0.513 1.00 0.31 C ATOM 327 O LEU A 226 8.830 1.528 0.405 1.00 0.29 O ATOM 328 CB LEU A 226 5.758 2.155 1.619 1.00 0.40 C ATOM 329 CG LEU A 226 5.194 3.571 1.779 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.167 3.868 0.696 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.579 3.741 3.159 1.00 0.51 C ATOM 0 H LEU A 226 4.633 1.004 -0.233 1.00 0.35 H new ATOM 0 HA LEU A 226 6.785 2.825 -0.154 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.943 1.441 1.734 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.462 1.968 2.429 1.00 0.40 H new ATOM 0 HG LEU A 226 6.014 4.282 1.673 1.00 0.46 H new ATOM 0 HD11 LEU A 226 3.780 4.878 0.829 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.637 3.786 -0.284 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.347 3.153 0.766 1.00 0.44 H new ATOM 0 HD21 LEU A 226 4.182 4.751 3.259 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.772 3.020 3.289 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.341 3.574 3.920 1.00 0.51 H new ATOM 343 N ILE A 227 7.515 -0.245 0.827 1.00 0.33 N ATOM 344 CA ILE A 227 8.640 -1.145 1.072 1.00 0.31 C ATOM 345 C ILE A 227 9.555 -1.239 -0.144 1.00 0.25 C ATOM 346 O ILE A 227 10.771 -1.354 -0.001 1.00 0.22 O ATOM 347 CB ILE A 227 8.182 -2.560 1.480 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.366 -3.213 0.365 1.00 0.38 C ATOM 349 CG2 ILE A 227 7.375 -2.497 2.767 1.00 0.45 C ATOM 350 CD1 ILE A 227 7.399 -4.725 0.403 1.00 0.46 C ATOM 0 H ILE A 227 6.596 -0.679 0.918 1.00 0.33 H new ATOM 0 HA ILE A 227 9.195 -0.713 1.905 1.00 0.31 H new ATOM 0 HB ILE A 227 9.067 -3.173 1.650 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.331 -2.878 0.438 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.744 -2.873 -0.599 1.00 0.38 H new ATOM 0 HG21 ILE A 227 7.056 -3.501 3.046 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.991 -2.077 3.562 1.00 0.45 H new ATOM 0 HG23 ILE A 227 6.498 -1.867 2.616 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.799 -5.123 -0.416 1.00 0.46 H new ATOM 0 HD12 ILE A 227 8.428 -5.069 0.300 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.993 -5.074 1.353 1.00 0.46 H new ATOM 362 N ILE A 228 8.969 -1.199 -1.338 1.00 0.24 N ATOM 363 CA ILE A 228 9.745 -1.282 -2.569 1.00 0.21 C ATOM 364 C ILE A 228 10.709 -0.109 -2.663 1.00 0.17 C ATOM 365 O ILE A 228 11.841 -0.250 -3.123 1.00 0.17 O ATOM 366 CB ILE A 228 8.833 -1.294 -3.812 1.00 0.26 C ATOM 367 CG1 ILE A 228 7.904 -2.510 -3.771 1.00 0.29 C ATOM 368 CG2 ILE A 228 9.665 -1.301 -5.087 1.00 0.27 C ATOM 369 CD1 ILE A 228 6.769 -2.435 -4.769 1.00 0.36 C ATOM 0 H ILE A 228 7.963 -1.110 -1.478 1.00 0.24 H new ATOM 0 HA ILE A 228 10.304 -2.217 -2.542 1.00 0.21 H new ATOM 0 HB ILE A 228 8.225 -0.389 -3.807 1.00 0.26 H new ATOM 0 HG12 ILE A 228 8.488 -3.410 -3.963 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.489 -2.607 -2.768 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.003 -1.309 -5.953 1.00 0.27 H new ATOM 0 HG22 ILE A 228 10.291 -0.410 -5.118 1.00 0.27 H new ATOM 0 HG23 ILE A 228 10.297 -2.189 -5.104 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.151 -3.329 -4.685 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.162 -1.553 -4.564 1.00 0.36 H new ATOM 0 HD13 ILE A 228 7.176 -2.369 -5.778 1.00 0.36 H new ATOM 381 N VAL A 229 10.242 1.050 -2.217 1.00 0.17 N ATOM 382 CA VAL A 229 11.044 2.261 -2.229 1.00 0.18 C ATOM 383 C VAL A 229 12.344 2.060 -1.455 1.00 0.14 C ATOM 384 O VAL A 229 13.426 2.387 -1.941 1.00 0.17 O ATOM 385 CB VAL A 229 10.257 3.438 -1.619 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.150 4.656 -1.431 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.056 3.778 -2.487 1.00 0.30 C ATOM 0 H VAL A 229 9.303 1.174 -1.840 1.00 0.17 H new ATOM 0 HA VAL A 229 11.284 2.491 -3.267 1.00 0.18 H new ATOM 0 HB VAL A 229 9.899 3.134 -0.635 1.00 0.24 H new ATOM 0 HG11 VAL A 229 10.568 5.470 -0.999 1.00 0.27 H new ATOM 0 HG12 VAL A 229 11.973 4.404 -0.762 1.00 0.27 H new ATOM 0 HG13 VAL A 229 11.549 4.967 -2.396 1.00 0.27 H new ATOM 0 HG21 VAL A 229 8.510 4.611 -2.043 1.00 0.30 H new ATOM 0 HG22 VAL A 229 9.395 4.057 -3.485 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.400 2.910 -2.556 1.00 0.30 H new ATOM 397 N TRP A 230 12.226 1.518 -0.245 1.00 0.14 N ATOM 398 CA TRP A 230 13.388 1.269 0.599 1.00 0.16 C ATOM 399 C TRP A 230 14.205 0.101 0.065 1.00 0.12 C ATOM 400 O TRP A 230 15.432 0.134 0.065 1.00 0.17 O ATOM 401 CB TRP A 230 12.952 0.984 2.039 1.00 0.24 C ATOM 402 CG TRP A 230 12.669 2.225 2.827 1.00 0.32 C ATOM 403 CD1 TRP A 230 13.581 3.145 3.255 1.00 0.35 C ATOM 404 CD2 TRP A 230 11.391 2.680 3.286 1.00 0.40 C ATOM 405 NE1 TRP A 230 12.949 4.145 3.952 1.00 0.43 N ATOM 406 CE2 TRP A 230 11.604 3.883 3.985 1.00 0.46 C ATOM 407 CE3 TRP A 230 10.087 2.188 3.174 1.00 0.44 C ATOM 408 CZ2 TRP A 230 10.563 4.600 4.568 1.00 0.56 C ATOM 409 CZ3 TRP A 230 9.054 2.900 3.754 1.00 0.54 C ATOM 410 CH2 TRP A 230 9.297 4.095 4.442 1.00 0.59 C ATOM 0 H TRP A 230 11.336 1.243 0.171 1.00 0.14 H new ATOM 0 HA TRP A 230 14.011 2.163 0.587 1.00 0.16 H new ATOM 0 HB2 TRP A 230 12.059 0.359 2.024 1.00 0.24 H new ATOM 0 HB3 TRP A 230 13.732 0.413 2.542 1.00 0.24 H new ATOM 0 HD1 TRP A 230 14.644 3.094 3.072 1.00 0.35 H new ATOM 0 HE1 TRP A 230 13.406 4.952 4.376 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.890 1.268 2.644 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 10.748 5.521 5.100 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 8.043 2.529 3.675 1.00 0.54 H new ATOM 0 HH2 TRP A 230 8.468 4.629 4.882 1.00 0.59 H new ATOM 421 N ALA A 231 13.506 -0.927 -0.394 1.00 0.11 N ATOM 422 CA ALA A 231 14.143 -2.124 -0.927 1.00 0.16 C ATOM 423 C ALA A 231 14.897 -1.831 -2.218 1.00 0.20 C ATOM 424 O ALA A 231 15.600 -2.691 -2.745 1.00 0.29 O ATOM 425 CB ALA A 231 13.091 -3.196 -1.158 1.00 0.20 C ATOM 0 H ALA A 231 12.487 -0.956 -0.408 1.00 0.11 H new ATOM 0 HA ALA A 231 14.872 -2.479 -0.199 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.566 -4.092 -1.557 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.601 -3.435 -0.214 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.350 -2.831 -1.869 1.00 0.20 H new ATOM 431 N VAL A 232 14.738 -0.616 -2.724 1.00 0.21 N ATOM 432 CA VAL A 232 15.416 -0.196 -3.944 1.00 0.33 C ATOM 433 C VAL A 232 16.348 0.974 -3.646 1.00 0.39 C ATOM 434 O VAL A 232 17.065 1.473 -4.514 1.00 0.50 O ATOM 435 CB VAL A 232 14.400 0.177 -5.044 1.00 0.37 C ATOM 436 CG1 VAL A 232 15.094 0.803 -6.245 1.00 0.51 C ATOM 437 CG2 VAL A 232 13.622 -1.059 -5.461 1.00 0.37 C ATOM 0 H VAL A 232 14.143 0.100 -2.307 1.00 0.21 H new ATOM 0 HA VAL A 232 16.010 -1.031 -4.314 1.00 0.33 H new ATOM 0 HB VAL A 232 13.708 0.917 -4.641 1.00 0.37 H new ATOM 0 HG11 VAL A 232 14.353 1.055 -7.003 1.00 0.51 H new ATOM 0 HG12 VAL A 232 15.616 1.708 -5.933 1.00 0.51 H new ATOM 0 HG13 VAL A 232 15.811 0.095 -6.660 1.00 0.51 H new ATOM 0 HG21 VAL A 232 12.905 -0.793 -6.238 1.00 0.37 H new ATOM 0 HG22 VAL A 232 14.312 -1.810 -5.846 1.00 0.37 H new ATOM 0 HG23 VAL A 232 13.090 -1.462 -4.599 1.00 0.37 H new ATOM 447 N ALA A 233 16.364 1.373 -2.385 1.00 0.33 N ATOM 448 CA ALA A 233 17.219 2.456 -1.933 1.00 0.41 C ATOM 449 C ALA A 233 18.181 1.898 -0.897 1.00 0.44 C ATOM 450 O ALA A 233 19.065 2.588 -0.388 1.00 0.52 O ATOM 451 CB ALA A 233 16.390 3.593 -1.352 1.00 0.37 C ATOM 0 H ALA A 233 15.789 0.959 -1.651 1.00 0.33 H new ATOM 0 HA ALA A 233 17.779 2.865 -2.774 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.052 4.393 -1.020 1.00 0.37 H new ATOM 0 HB2 ALA A 233 15.712 3.976 -2.115 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.812 3.225 -0.504 1.00 0.37 H new ATOM 457 N LEU A 234 17.969 0.621 -0.597 1.00 0.39 N ATOM 458 CA LEU A 234 18.783 -0.133 0.339 1.00 0.46 C ATOM 459 C LEU A 234 19.398 -1.310 -0.404 1.00 0.53 C ATOM 460 O LEU A 234 19.987 -2.210 0.197 1.00 0.60 O ATOM 461 CB LEU A 234 17.922 -0.657 1.496 1.00 0.42 C ATOM 462 CG LEU A 234 17.653 0.317 2.645 1.00 0.43 C ATOM 463 CD1 LEU A 234 17.178 1.665 2.127 1.00 0.39 C ATOM 464 CD2 LEU A 234 16.621 -0.279 3.590 1.00 0.45 C ATOM 0 H LEU A 234 17.212 0.074 -1.007 1.00 0.39 H new ATOM 0 HA LEU A 234 19.560 0.512 0.749 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.963 -0.977 1.089 1.00 0.42 H new ATOM 0 HB3 LEU A 234 18.406 -1.543 1.907 1.00 0.42 H new ATOM 0 HG LEU A 234 18.587 0.479 3.184 1.00 0.43 H new ATOM 0 HD11 LEU A 234 16.996 2.334 2.968 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.942 2.096 1.479 1.00 0.39 H new ATOM 0 HD13 LEU A 234 16.255 1.533 1.562 1.00 0.39 H new ATOM 0 HD21 LEU A 234 16.431 0.417 4.407 1.00 0.45 H new ATOM 0 HD22 LEU A 234 15.694 -0.463 3.047 1.00 0.45 H new ATOM 0 HD23 LEU A 234 16.997 -1.219 3.994 1.00 0.45 H new ATOM 476 N LYS A 235 19.247 -1.282 -1.727 1.00 0.53 N ATOM 477 CA LYS A 235 19.737 -2.341 -2.589 1.00 0.61 C ATOM 478 C LYS A 235 20.839 -1.851 -3.517 1.00 0.74 C ATOM 479 O LYS A 235 21.943 -2.397 -3.534 1.00 0.82 O ATOM 480 CB LYS A 235 18.573 -2.897 -3.409 1.00 0.54 C ATOM 481 CG LYS A 235 18.278 -4.366 -3.160 1.00 0.55 C ATOM 482 CD LYS A 235 18.153 -4.673 -1.681 1.00 0.53 C ATOM 483 CE LYS A 235 16.873 -5.422 -1.382 1.00 0.49 C ATOM 484 NZ LYS A 235 16.875 -6.011 -0.014 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.781 -0.523 -2.225 1.00 0.53 H new ATOM 0 HA LYS A 235 20.163 -3.123 -1.961 1.00 0.61 H new ATOM 0 HB2 LYS A 235 17.678 -2.316 -3.187 1.00 0.54 H new ATOM 0 HB3 LYS A 235 18.790 -2.757 -4.468 1.00 0.54 H new ATOM 0 HG2 LYS A 235 17.354 -4.642 -3.668 1.00 0.55 H new ATOM 0 HG3 LYS A 235 19.073 -4.974 -3.591 1.00 0.55 H new ATOM 0 HD2 LYS A 235 19.008 -5.266 -1.357 1.00 0.53 H new ATOM 0 HD3 LYS A 235 18.175 -3.744 -1.111 1.00 0.53 H new ATOM 0 HE2 LYS A 235 16.025 -4.745 -1.483 1.00 0.49 H new ATOM 0 HE3 LYS A 235 16.737 -6.215 -2.117 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 15.980 -6.515 0.148 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 17.668 -6.677 0.076 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 16.978 -5.253 0.690 1.00 0.56 H new ATOM 498 N GLY A 236 20.530 -0.822 -4.288 1.00 1.13 N ATOM 499 CA GLY A 236 21.495 -0.270 -5.222 1.00 1.30 C ATOM 500 C GLY A 236 21.490 1.241 -5.248 1.00 1.58 C ATOM 501 O GLY A 236 21.609 1.856 -6.308 1.00 1.97 O ATOM 0 H GLY A 236 19.623 -0.354 -4.286 1.00 1.13 H new ATOM 0 HA2 GLY A 236 22.492 -0.621 -4.956 1.00 1.30 H new ATOM 0 HA3 GLY A 236 21.281 -0.646 -6.222 1.00 1.30 H new ATOM 505 N TYR A 237 21.351 1.834 -4.078 1.00 1.55 N ATOM 506 CA TYR A 237 21.327 3.286 -3.945 1.00 1.93 C ATOM 507 C TYR A 237 22.643 3.905 -4.402 1.00 2.68 C ATOM 508 O TYR A 237 22.712 5.102 -4.684 1.00 3.13 O ATOM 509 CB TYR A 237 21.048 3.683 -2.494 1.00 1.48 C ATOM 510 CG TYR A 237 22.150 3.293 -1.535 1.00 1.63 C ATOM 511 CD1 TYR A 237 22.198 2.018 -0.986 1.00 2.15 C ATOM 512 CD2 TYR A 237 23.142 4.198 -1.179 1.00 2.12 C ATOM 513 CE1 TYR A 237 23.201 1.656 -0.108 1.00 2.91 C ATOM 514 CE2 TYR A 237 24.150 3.842 -0.302 1.00 2.76 C ATOM 515 CZ TYR A 237 24.177 2.579 0.232 1.00 3.10 C ATOM 516 OH TYR A 237 25.177 2.214 1.104 1.00 4.00 O ATOM 0 H TYR A 237 21.252 1.331 -3.196 1.00 1.55 H new ATOM 0 HA TYR A 237 20.528 3.664 -4.583 1.00 1.93 H new ATOM 0 HB2 TYR A 237 20.900 4.762 -2.444 1.00 1.48 H new ATOM 0 HB3 TYR A 237 20.116 3.218 -2.172 1.00 1.48 H new ATOM 0 HD1 TYR A 237 21.438 1.297 -1.250 1.00 2.15 H new ATOM 0 HD2 TYR A 237 23.126 5.195 -1.594 1.00 2.12 H new ATOM 0 HE1 TYR A 237 23.224 0.661 0.311 1.00 2.91 H new ATOM 0 HE2 TYR A 237 24.915 4.557 -0.038 1.00 2.76 H new ATOM 0 HH TYR A 237 25.784 2.971 1.241 1.00 4.00 H new ATOM 526 N SER A 238 23.689 3.087 -4.470 1.00 3.04 N ATOM 527 CA SER A 238 25.004 3.562 -4.887 1.00 3.95 C ATOM 528 C SER A 238 25.113 3.614 -6.407 1.00 4.58 C ATOM 529 O SER A 238 25.768 4.496 -6.961 1.00 5.29 O ATOM 530 CB SER A 238 26.099 2.662 -4.317 1.00 4.49 C ATOM 531 OG SER A 238 27.386 3.125 -4.689 1.00 4.96 O ATOM 0 H SER A 238 23.652 2.093 -4.242 1.00 3.04 H new ATOM 0 HA SER A 238 25.134 4.572 -4.499 1.00 3.95 H new ATOM 0 HB2 SER A 238 26.020 2.632 -3.230 1.00 4.49 H new ATOM 0 HB3 SER A 238 25.959 1.642 -4.675 1.00 4.49 H new ATOM 0 HG SER A 238 28.069 2.533 -4.310 1.00 4.96 H new ATOM 537 N MET A 239 24.464 2.665 -7.077 1.00 4.61 N ATOM 538 CA MET A 239 24.493 2.604 -8.534 1.00 5.54 C ATOM 539 C MET A 239 23.191 3.128 -9.131 1.00 5.88 C ATOM 540 O MET A 239 22.670 2.569 -10.096 1.00 6.64 O ATOM 541 CB MET A 239 24.736 1.171 -9.000 1.00 5.96 C ATOM 542 CG MET A 239 26.076 0.608 -8.558 1.00 6.04 C ATOM 543 SD MET A 239 26.360 -1.065 -9.169 1.00 6.88 S ATOM 544 CE MET A 239 25.025 -1.951 -8.368 1.00 6.96 C ATOM 0 H MET A 239 23.913 1.930 -6.634 1.00 4.61 H new ATOM 0 HA MET A 239 25.310 3.237 -8.880 1.00 5.54 H new ATOM 0 HB2 MET A 239 23.939 0.533 -8.618 1.00 5.96 H new ATOM 0 HB3 MET A 239 24.678 1.136 -10.088 1.00 5.96 H new ATOM 0 HG2 MET A 239 26.875 1.260 -8.911 1.00 6.04 H new ATOM 0 HG3 MET A 239 26.124 0.606 -7.469 1.00 6.04 H new ATOM 0 HE1 MET A 239 25.231 -3.021 -8.394 1.00 6.96 H new ATOM 0 HE2 MET A 239 24.940 -1.623 -7.332 1.00 6.96 H new ATOM 0 HE3 MET A 239 24.090 -1.749 -8.890 1.00 6.96 H new ATOM 554 N VAL A 240 22.672 4.203 -8.550 1.00 5.58 N ATOM 555 CA VAL A 240 21.432 4.804 -9.027 1.00 6.19 C ATOM 556 C VAL A 240 21.670 5.650 -10.275 1.00 7.44 C ATOM 557 O VAL A 240 21.479 5.119 -11.389 1.00 7.88 O ATOM 558 CB VAL A 240 20.775 5.673 -7.936 1.00 5.82 C ATOM 559 CG1 VAL A 240 20.013 4.800 -6.950 1.00 4.89 C ATOM 560 CG2 VAL A 240 21.822 6.511 -7.217 1.00 5.70 C ATOM 561 OXT VAL A 240 22.043 6.833 -10.130 1.00 8.12 O ATOM 0 H VAL A 240 23.090 4.676 -7.749 1.00 5.58 H new ATOM 0 HA VAL A 240 20.759 3.985 -9.279 1.00 6.19 H new ATOM 0 HB VAL A 240 20.067 6.350 -8.413 1.00 5.82 H new ATOM 0 HG11 VAL A 240 19.555 5.428 -6.186 1.00 4.89 H new ATOM 0 HG12 VAL A 240 19.236 4.247 -7.478 1.00 4.89 H new ATOM 0 HG13 VAL A 240 20.701 4.098 -6.478 1.00 4.89 H new ATOM 0 HG21 VAL A 240 21.339 7.118 -6.451 1.00 5.70 H new ATOM 0 HG22 VAL A 240 22.556 5.854 -6.751 1.00 5.70 H new ATOM 0 HG23 VAL A 240 22.322 7.163 -7.934 1.00 5.70 H new TER 571 VAL A 240