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= -0.0812 USER MOD Single : A 208 MET CE :methyl -162:sc= -0.0988 (180deg=-0.583) USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 211 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 180:sc=0.000354 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 87:sc= 0.95 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 -164:sc= -0.0954 (180deg=-0.519) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -33.276 2.114 -2.605 1.00 11.27 N ATOM 2 CA GLY A 204 -32.874 0.682 -2.547 1.00 10.74 C ATOM 3 C GLY A 204 -32.651 0.087 -3.924 1.00 10.08 C ATOM 4 O GLY A 204 -32.542 0.817 -4.910 1.00 10.33 O ATOM 0 HA2 GLY A 204 -31.960 0.588 -1.961 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -33.645 0.112 -2.029 1.00 10.74 H new ATOM 10 N SER A 205 -32.584 -1.242 -3.986 1.00 9.44 N ATOM 11 CA SER A 205 -32.371 -1.950 -5.246 1.00 8.98 C ATOM 12 C SER A 205 -31.037 -1.563 -5.877 1.00 8.39 C ATOM 13 O SER A 205 -30.032 -2.252 -5.697 1.00 8.34 O ATOM 14 CB SER A 205 -33.517 -1.666 -6.223 1.00 9.23 C ATOM 15 OG SER A 205 -33.322 -2.351 -7.448 1.00 10.03 O ATOM 0 H SER A 205 -32.675 -1.852 -3.174 1.00 9.44 H new ATOM 0 HA SER A 205 -32.349 -3.018 -5.028 1.00 8.98 H new ATOM 0 HB2 SER A 205 -34.464 -1.972 -5.778 1.00 9.23 H new ATOM 0 HB3 SER A 205 -33.584 -0.594 -6.408 1.00 9.23 H new ATOM 0 HG SER A 205 -34.067 -2.156 -8.054 1.00 10.03 H new ATOM 21 N PHE A 206 -31.031 -0.457 -6.617 1.00 8.19 N ATOM 22 CA PHE A 206 -29.820 0.020 -7.272 1.00 7.85 C ATOM 23 C PHE A 206 -28.999 0.891 -6.326 1.00 7.28 C ATOM 24 O PHE A 206 -29.224 2.097 -6.222 1.00 7.58 O ATOM 25 CB PHE A 206 -30.175 0.807 -8.534 1.00 8.48 C ATOM 26 CG PHE A 206 -28.976 1.237 -9.333 1.00 8.90 C ATOM 27 CD1 PHE A 206 -28.347 0.353 -10.193 1.00 8.94 C ATOM 28 CD2 PHE A 206 -28.481 2.528 -9.224 1.00 9.52 C ATOM 29 CE1 PHE A 206 -27.244 0.746 -10.929 1.00 9.58 C ATOM 30 CE2 PHE A 206 -27.378 2.926 -9.957 1.00 10.16 C ATOM 31 CZ PHE A 206 -26.760 2.034 -10.811 1.00 10.18 C ATOM 0 H PHE A 206 -31.853 0.125 -6.777 1.00 8.19 H new ATOM 0 HA PHE A 206 -29.220 -0.846 -7.551 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -30.820 0.195 -9.164 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -30.749 1.690 -8.252 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -28.722 -0.655 -10.290 1.00 8.94 H new ATOM 0 HD2 PHE A 206 -28.962 3.230 -8.559 1.00 9.52 H new ATOM 0 HE1 PHE A 206 -26.762 0.046 -11.595 1.00 9.58 H new ATOM 0 HE2 PHE A 206 -27.000 3.933 -9.862 1.00 10.16 H new ATOM 0 HZ PHE A 206 -25.899 2.343 -11.386 1.00 10.18 H new ATOM 41 N THR A 207 -28.046 0.271 -5.639 1.00 6.75 N ATOM 42 CA THR A 207 -27.189 0.984 -4.700 1.00 6.52 C ATOM 43 C THR A 207 -25.852 0.268 -4.526 1.00 5.52 C ATOM 44 O THR A 207 -24.806 0.789 -4.915 1.00 5.53 O ATOM 45 CB THR A 207 -27.868 1.132 -3.325 1.00 7.16 C ATOM 46 OG1 THR A 207 -29.105 1.840 -3.462 1.00 7.94 O ATOM 47 CG2 THR A 207 -26.964 1.870 -2.349 1.00 7.52 C ATOM 0 H THR A 207 -27.847 -0.727 -5.715 1.00 6.75 H new ATOM 0 HA THR A 207 -27.013 1.976 -5.117 1.00 6.52 H new ATOM 0 HB THR A 207 -28.061 0.133 -2.933 1.00 7.16 H new ATOM 0 HG1 THR A 207 -29.531 1.928 -2.584 1.00 7.94 H new ATOM 0 HG21 THR A 207 -27.466 1.962 -1.386 1.00 7.52 H new ATOM 0 HG22 THR A 207 -26.035 1.314 -2.222 1.00 7.52 H new ATOM 0 HG23 THR A 207 -26.742 2.864 -2.738 1.00 7.52 H new ATOM 55 N MET A 208 -25.898 -0.927 -3.938 1.00 4.97 N ATOM 56 CA MET A 208 -24.696 -1.729 -3.709 1.00 4.29 C ATOM 57 C MET A 208 -23.741 -1.034 -2.741 1.00 3.61 C ATOM 58 O MET A 208 -23.246 0.060 -3.018 1.00 3.96 O ATOM 59 CB MET A 208 -23.983 -2.014 -5.034 1.00 4.65 C ATOM 60 CG MET A 208 -24.859 -2.724 -6.054 1.00 5.27 C ATOM 61 SD MET A 208 -25.365 -4.368 -5.513 1.00 5.92 S ATOM 62 CE MET A 208 -23.782 -5.204 -5.439 1.00 6.74 C ATOM 0 H MET A 208 -26.760 -1.363 -3.610 1.00 4.97 H new ATOM 0 HA MET A 208 -25.007 -2.673 -3.261 1.00 4.29 H new ATOM 0 HB2 MET A 208 -23.634 -1.073 -5.459 1.00 4.65 H new ATOM 0 HB3 MET A 208 -23.100 -2.623 -4.839 1.00 4.65 H new ATOM 0 HG2 MET A 208 -25.746 -2.121 -6.248 1.00 5.27 H new ATOM 0 HG3 MET A 208 -24.318 -2.807 -6.997 1.00 5.27 H new ATOM 0 HE1 MET A 208 -23.940 -6.283 -5.436 1.00 6.74 H new ATOM 0 HE2 MET A 208 -23.183 -4.927 -6.307 1.00 6.74 H new ATOM 0 HE3 MET A 208 -23.258 -4.912 -4.529 1.00 6.74 H new ATOM 72 N ASN A 209 -23.484 -1.678 -1.607 1.00 3.19 N ATOM 73 CA ASN A 209 -22.588 -1.124 -0.598 1.00 3.10 C ATOM 74 C ASN A 209 -21.409 -2.056 -0.346 1.00 2.76 C ATOM 75 O ASN A 209 -21.575 -3.156 0.182 1.00 3.19 O ATOM 76 CB ASN A 209 -23.344 -0.878 0.708 1.00 3.66 C ATOM 77 CG ASN A 209 -24.488 0.102 0.537 1.00 4.37 C ATOM 78 OD1 ASN A 209 -25.618 -0.288 0.247 1.00 4.83 O ATOM 79 ND2 ASN A 209 -24.199 1.386 0.718 1.00 4.91 N ATOM 0 H ASN A 209 -23.884 -2.584 -1.364 1.00 3.19 H new ATOM 0 HA ASN A 209 -22.205 -0.175 -0.973 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -23.733 -1.825 1.083 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -22.652 -0.497 1.459 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -24.928 2.092 0.617 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -23.248 1.666 0.958 1.00 4.91 H new ATOM 86 N ASP A 210 -20.216 -1.603 -0.723 1.00 2.20 N ATOM 87 CA ASP A 210 -19.000 -2.390 -0.544 1.00 1.85 C ATOM 88 C ASP A 210 -17.775 -1.592 -0.977 1.00 1.67 C ATOM 89 O ASP A 210 -16.667 -2.124 -1.040 1.00 1.70 O ATOM 90 CB ASP A 210 -19.079 -3.680 -1.361 1.00 1.87 C ATOM 91 CG ASP A 210 -18.354 -4.835 -0.699 1.00 2.29 C ATOM 92 OD1 ASP A 210 -18.907 -5.411 0.261 1.00 2.79 O ATOM 93 OD2 ASP A 210 -17.235 -5.165 -1.144 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.066 -0.692 -1.156 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.908 -2.636 0.514 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -20.125 -3.949 -1.508 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -18.652 -3.507 -2.349 1.00 1.87 H new ATOM 98 N THR A 211 -17.986 -0.315 -1.280 1.00 1.54 N ATOM 99 CA THR A 211 -16.903 0.560 -1.718 1.00 1.39 C ATOM 100 C THR A 211 -15.735 0.544 -0.737 1.00 1.19 C ATOM 101 O THR A 211 -14.603 0.243 -1.114 1.00 1.05 O ATOM 102 CB THR A 211 -17.393 2.011 -1.888 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.500 2.052 -2.799 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.275 2.907 -2.402 1.00 1.34 C ATOM 0 H THR A 211 -18.899 0.138 -1.230 1.00 1.54 H new ATOM 0 HA THR A 211 -16.563 0.177 -2.680 1.00 1.39 H new ATOM 0 HB THR A 211 -17.711 2.378 -0.912 1.00 1.44 H new ATOM 0 HG1 THR A 211 -18.806 2.977 -2.900 1.00 1.62 H new ATOM 0 HG21 THR A 211 -16.647 3.925 -2.513 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.447 2.899 -1.693 1.00 1.34 H new ATOM 0 HG23 THR A 211 -15.929 2.539 -3.368 1.00 1.34 H new ATOM 112 N THR A 212 -16.021 0.861 0.522 1.00 1.20 N ATOM 113 CA THR A 212 -14.994 0.901 1.559 1.00 1.06 C ATOM 114 C THR A 212 -14.181 -0.390 1.610 1.00 0.95 C ATOM 115 O THR A 212 -13.027 -0.383 2.040 1.00 0.80 O ATOM 116 CB THR A 212 -15.611 1.155 2.946 1.00 1.16 C ATOM 117 OG1 THR A 212 -16.527 2.255 2.882 1.00 1.30 O ATOM 118 CG2 THR A 212 -14.531 1.452 3.976 1.00 1.05 C ATOM 0 H THR A 212 -16.958 1.095 0.850 1.00 1.20 H new ATOM 0 HA THR A 212 -14.329 1.724 1.298 1.00 1.06 H new ATOM 0 HB THR A 212 -16.143 0.254 3.250 1.00 1.16 H new ATOM 0 HG1 THR A 212 -16.916 2.409 3.768 1.00 1.30 H new ATOM 0 HG21 THR A 212 -14.993 1.628 4.947 1.00 1.05 H new ATOM 0 HG22 THR A 212 -13.851 0.603 4.046 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.974 2.339 3.674 1.00 1.05 H new ATOM 126 N VAL A 213 -14.778 -1.499 1.175 1.00 1.07 N ATOM 127 CA VAL A 213 -14.080 -2.781 1.188 1.00 1.04 C ATOM 128 C VAL A 213 -12.836 -2.730 0.309 1.00 0.87 C ATOM 129 O VAL A 213 -11.790 -3.271 0.665 1.00 0.79 O ATOM 130 CB VAL A 213 -14.994 -3.931 0.722 1.00 1.21 C ATOM 131 CG1 VAL A 213 -14.252 -5.259 0.764 1.00 1.21 C ATOM 132 CG2 VAL A 213 -16.249 -3.987 1.577 1.00 1.41 C ATOM 0 H VAL A 213 -15.731 -1.535 0.814 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.784 -2.973 2.219 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.289 -3.742 -0.310 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -14.915 -6.057 0.431 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -13.384 -5.211 0.107 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.925 -5.461 1.784 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.885 -4.804 1.236 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -15.973 -4.152 2.618 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.791 -3.045 1.490 1.00 1.41 H new ATOM 142 N TRP A 214 -12.957 -2.073 -0.842 1.00 0.85 N ATOM 143 CA TRP A 214 -11.833 -1.940 -1.763 1.00 0.74 C ATOM 144 C TRP A 214 -10.887 -0.847 -1.279 1.00 0.59 C ATOM 145 O TRP A 214 -9.688 -0.882 -1.558 1.00 0.51 O ATOM 146 CB TRP A 214 -12.327 -1.615 -3.173 1.00 0.83 C ATOM 147 CG TRP A 214 -13.359 -2.575 -3.682 1.00 1.03 C ATOM 148 CD1 TRP A 214 -14.696 -2.563 -3.405 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.141 -3.683 -4.563 1.00 1.11 C ATOM 150 NE1 TRP A 214 -15.321 -3.600 -4.056 1.00 1.37 N ATOM 151 CE2 TRP A 214 -14.387 -4.301 -4.774 1.00 1.31 C ATOM 152 CE3 TRP A 214 -12.011 -4.213 -5.192 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -14.535 -5.421 -5.587 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -12.159 -5.325 -6.001 1.00 1.26 C ATOM 155 CH2 TRP A 214 -13.413 -5.918 -6.192 1.00 1.42 C ATOM 0 H TRP A 214 -13.818 -1.627 -1.157 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.298 -2.889 -1.793 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -12.744 -0.608 -3.180 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.477 -1.612 -3.855 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.190 -1.844 -2.768 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -16.318 -3.813 -4.012 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.040 -3.762 -5.049 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -15.501 -5.881 -5.735 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -11.293 -5.743 -6.493 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -13.496 -6.785 -6.830 1.00 1.42 H new ATOM 166 N ILE A 215 -11.439 0.126 -0.558 1.00 0.61 N ATOM 167 CA ILE A 215 -10.647 1.228 -0.024 1.00 0.53 C ATOM 168 C ILE A 215 -9.563 0.697 0.907 1.00 0.42 C ATOM 169 O ILE A 215 -8.428 1.175 0.889 1.00 0.33 O ATOM 170 CB ILE A 215 -11.538 2.253 0.719 1.00 0.64 C ATOM 171 CG1 ILE A 215 -12.075 3.302 -0.260 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.775 2.932 1.850 1.00 0.60 C ATOM 173 CD1 ILE A 215 -12.930 2.727 -1.370 1.00 0.91 C ATOM 0 H ILE A 215 -12.432 0.173 -0.331 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.175 1.740 -0.863 1.00 0.53 H new ATOM 0 HB ILE A 215 -12.378 1.711 1.155 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.662 4.035 0.294 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.234 3.836 -0.702 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -11.428 3.646 2.352 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -10.440 2.181 2.565 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.910 3.456 1.442 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.272 3.532 -2.020 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.342 2.016 -1.951 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.792 2.218 -0.939 1.00 0.91 H new ATOM 185 N SER A 216 -9.919 -0.288 1.727 1.00 0.46 N ATOM 186 CA SER A 216 -8.960 -0.891 2.640 1.00 0.40 C ATOM 187 C SER A 216 -7.815 -1.495 1.839 1.00 0.29 C ATOM 188 O SER A 216 -6.655 -1.469 2.257 1.00 0.24 O ATOM 189 CB SER A 216 -9.633 -1.966 3.496 1.00 0.49 C ATOM 190 OG SER A 216 -10.695 -1.421 4.261 1.00 1.35 O ATOM 0 H SER A 216 -10.859 -0.682 1.776 1.00 0.46 H new ATOM 0 HA SER A 216 -8.571 -0.122 3.307 1.00 0.40 H new ATOM 0 HB2 SER A 216 -10.014 -2.760 2.854 1.00 0.49 H new ATOM 0 HB3 SER A 216 -8.897 -2.419 4.161 1.00 0.49 H new ATOM 0 HG SER A 216 -11.109 -2.129 4.797 1.00 1.35 H new ATOM 196 N VAL A 217 -8.162 -2.035 0.675 1.00 0.31 N ATOM 197 CA VAL A 217 -7.188 -2.633 -0.219 1.00 0.26 C ATOM 198 C VAL A 217 -6.370 -1.548 -0.907 1.00 0.19 C ATOM 199 O VAL A 217 -5.204 -1.750 -1.247 1.00 0.19 O ATOM 200 CB VAL A 217 -7.881 -3.503 -1.286 1.00 0.38 C ATOM 201 CG1 VAL A 217 -6.863 -4.058 -2.269 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.664 -4.627 -0.628 1.00 0.48 C ATOM 0 H VAL A 217 -9.121 -2.068 0.330 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.529 -3.265 0.377 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.581 -2.877 -1.840 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.372 -4.669 -3.014 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.350 -3.234 -2.765 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.136 -4.669 -1.734 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.147 -5.232 -1.396 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -7.985 -5.252 -0.048 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.422 -4.205 0.032 1.00 0.48 H new ATOM 212 N ALA A 218 -6.998 -0.393 -1.102 1.00 0.21 N ATOM 213 CA ALA A 218 -6.347 0.741 -1.742 1.00 0.21 C ATOM 214 C ALA A 218 -5.061 1.111 -1.012 1.00 0.14 C ATOM 215 O ALA A 218 -4.039 1.402 -1.635 1.00 0.18 O ATOM 216 CB ALA A 218 -7.294 1.932 -1.778 1.00 0.27 C ATOM 0 H ALA A 218 -7.964 -0.219 -0.823 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.089 0.460 -2.763 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -6.799 2.776 -2.258 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.189 1.668 -2.341 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.573 2.206 -0.761 1.00 0.27 H new ATOM 222 N VAL A 219 -5.125 1.091 0.314 1.00 0.10 N ATOM 223 CA VAL A 219 -3.977 1.426 1.142 1.00 0.14 C ATOM 224 C VAL A 219 -2.876 0.381 1.007 1.00 0.17 C ATOM 225 O VAL A 219 -1.697 0.722 0.929 1.00 0.25 O ATOM 226 CB VAL A 219 -4.374 1.560 2.623 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.206 2.072 3.447 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.578 2.477 2.768 1.00 0.20 C ATOM 0 H VAL A 219 -5.964 0.845 0.839 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.601 2.386 0.789 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.646 0.573 2.998 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.508 2.160 4.491 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.372 1.375 3.368 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.899 3.049 3.075 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.846 2.561 3.821 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.333 3.464 2.376 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.419 2.064 2.211 1.00 0.20 H new ATOM 238 N LEU A 220 -3.265 -0.893 0.988 1.00 0.15 N ATOM 239 CA LEU A 220 -2.301 -1.984 0.860 1.00 0.20 C ATOM 240 C LEU A 220 -1.401 -1.758 -0.343 1.00 0.21 C ATOM 241 O LEU A 220 -0.186 -1.940 -0.268 1.00 0.26 O ATOM 242 CB LEU A 220 -3.020 -3.325 0.716 1.00 0.20 C ATOM 243 CG LEU A 220 -4.222 -3.509 1.638 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.863 -4.870 1.415 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.808 -3.340 3.093 1.00 0.27 C ATOM 0 H LEU A 220 -4.237 -1.194 1.059 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.692 -2.004 1.764 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.352 -3.434 -0.317 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.306 -4.126 0.908 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.960 -2.742 1.401 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.718 -4.983 2.081 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -5.196 -4.950 0.380 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -4.135 -5.654 1.623 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.677 -3.474 3.737 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -3.052 -4.083 3.345 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.398 -2.341 3.241 1.00 0.27 H new ATOM 257 N SER A 221 -2.011 -1.364 -1.454 1.00 0.20 N ATOM 258 CA SER A 221 -1.266 -1.099 -2.680 1.00 0.25 C ATOM 259 C SER A 221 -0.153 -0.096 -2.411 1.00 0.28 C ATOM 260 O SER A 221 0.960 -0.233 -2.920 1.00 0.33 O ATOM 261 CB SER A 221 -2.197 -0.571 -3.773 1.00 0.27 C ATOM 262 OG SER A 221 -3.209 -1.513 -4.080 1.00 1.14 O ATOM 0 H SER A 221 -3.018 -1.221 -1.532 1.00 0.20 H new ATOM 0 HA SER A 221 -0.825 -2.034 -3.024 1.00 0.25 H new ATOM 0 HB2 SER A 221 -2.653 0.364 -3.446 1.00 0.27 H new ATOM 0 HB3 SER A 221 -1.620 -0.348 -4.670 1.00 0.27 H new ATOM 0 HG SER A 221 -3.792 -1.151 -4.780 1.00 1.14 H new ATOM 268 N ALA A 222 -0.463 0.921 -1.615 1.00 0.28 N ATOM 269 CA ALA A 222 0.518 1.938 -1.263 1.00 0.32 C ATOM 270 C ALA A 222 1.556 1.379 -0.295 1.00 0.35 C ATOM 271 O ALA A 222 2.737 1.716 -0.373 1.00 0.38 O ATOM 272 CB ALA A 222 -0.168 3.154 -0.661 1.00 0.33 C ATOM 0 H ALA A 222 -1.385 1.062 -1.202 1.00 0.28 H new ATOM 0 HA ALA A 222 1.031 2.244 -2.174 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.580 3.904 -0.404 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -0.867 3.573 -1.385 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.709 2.859 0.238 1.00 0.33 H new ATOM 278 N VAL A 223 1.105 0.517 0.617 1.00 0.35 N ATOM 279 CA VAL A 223 1.991 -0.084 1.607 1.00 0.39 C ATOM 280 C VAL A 223 3.091 -0.906 0.942 1.00 0.40 C ATOM 281 O VAL A 223 4.273 -0.707 1.220 1.00 0.42 O ATOM 282 CB VAL A 223 1.214 -0.973 2.602 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.174 -1.698 3.532 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.224 -0.140 3.401 1.00 0.39 C ATOM 0 H VAL A 223 0.131 0.221 0.688 1.00 0.35 H new ATOM 0 HA VAL A 223 2.448 0.738 2.158 1.00 0.39 H new ATOM 0 HB VAL A 223 0.657 -1.718 2.034 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.608 -2.320 4.226 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.844 -2.326 2.945 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.759 -0.968 4.092 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.314 -0.783 4.097 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.761 0.628 3.958 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.485 0.333 2.722 1.00 0.39 H new ATOM 294 N ILE A 224 2.702 -1.833 0.069 1.00 0.40 N ATOM 295 CA ILE A 224 3.680 -2.660 -0.627 1.00 0.42 C ATOM 296 C ILE A 224 4.620 -1.784 -1.441 1.00 0.39 C ATOM 297 O ILE A 224 5.789 -2.111 -1.631 1.00 0.39 O ATOM 298 CB ILE A 224 3.005 -3.698 -1.548 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.065 -3.015 -2.544 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.247 -4.726 -0.720 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.719 -2.685 -3.869 1.00 0.46 C ATOM 0 H ILE A 224 1.730 -2.027 -0.170 1.00 0.40 H new ATOM 0 HA ILE A 224 4.246 -3.204 0.129 1.00 0.42 H new ATOM 0 HB ILE A 224 3.784 -4.210 -2.113 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.207 -3.663 -2.724 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.683 -2.096 -2.099 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.776 -5.452 -1.383 1.00 0.51 H new ATOM 0 HG22 ILE A 224 2.940 -5.240 -0.054 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.481 -4.224 -0.129 1.00 0.51 H new ATOM 0 HD11 ILE A 224 1.992 -2.203 -4.523 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.560 -2.012 -3.702 1.00 0.46 H new ATOM 0 HD13 ILE A 224 3.076 -3.602 -4.337 1.00 0.46 H new ATOM 313 N CYS A 225 4.091 -0.667 -1.926 1.00 0.38 N ATOM 314 CA CYS A 225 4.875 0.283 -2.700 1.00 0.36 C ATOM 315 C CYS A 225 5.942 0.928 -1.821 1.00 0.34 C ATOM 316 O CYS A 225 7.046 1.223 -2.276 1.00 0.34 O ATOM 317 CB CYS A 225 3.966 1.358 -3.301 1.00 0.36 C ATOM 318 SG CYS A 225 3.058 0.820 -4.771 1.00 1.36 S ATOM 0 H CYS A 225 3.116 -0.397 -1.795 1.00 0.38 H new ATOM 0 HA CYS A 225 5.367 -0.253 -3.512 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.252 1.680 -2.543 1.00 0.36 H new ATOM 0 HB3 CYS A 225 4.571 2.228 -3.559 1.00 0.36 H new ATOM 0 HG CYS A 225 1.952 0.240 -4.410 1.00 1.36 H new ATOM 324 N LEU A 226 5.595 1.139 -0.553 1.00 0.35 N ATOM 325 CA LEU A 226 6.504 1.752 0.410 1.00 0.35 C ATOM 326 C LEU A 226 7.758 0.906 0.620 1.00 0.31 C ATOM 327 O LEU A 226 8.877 1.393 0.455 1.00 0.29 O ATOM 328 CB LEU A 226 5.789 1.964 1.748 1.00 0.40 C ATOM 329 CG LEU A 226 5.369 3.405 2.047 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.435 3.931 0.968 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.704 3.489 3.412 1.00 0.51 C ATOM 0 H LEU A 226 4.684 0.892 -0.168 1.00 0.35 H new ATOM 0 HA LEU A 226 6.814 2.716 0.005 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.901 1.333 1.770 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.444 1.621 2.549 1.00 0.40 H new ATOM 0 HG LEU A 226 6.264 4.027 2.055 1.00 0.46 H new ATOM 0 HD11 LEU A 226 4.150 4.957 1.202 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.943 3.906 0.004 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.542 3.307 0.924 1.00 0.44 H new ATOM 0 HD21 LEU A 226 4.411 4.520 3.611 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.820 2.851 3.426 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.404 3.156 4.179 1.00 0.51 H new ATOM 343 N ILE A 227 7.566 -0.360 0.983 1.00 0.33 N ATOM 344 CA ILE A 227 8.687 -1.262 1.224 1.00 0.31 C ATOM 345 C ILE A 227 9.617 -1.344 0.019 1.00 0.25 C ATOM 346 O ILE A 227 10.829 -1.465 0.174 1.00 0.22 O ATOM 347 CB ILE A 227 8.224 -2.682 1.601 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.467 -3.336 0.444 1.00 0.38 C ATOM 349 CG2 ILE A 227 7.355 -2.637 2.848 1.00 0.45 C ATOM 350 CD1 ILE A 227 7.439 -4.845 0.517 1.00 0.46 C ATOM 0 H ILE A 227 6.647 -0.783 1.116 1.00 0.33 H new ATOM 0 HA ILE A 227 9.232 -0.838 2.068 1.00 0.31 H new ATOM 0 HB ILE A 227 9.107 -3.286 1.810 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.443 -2.962 0.433 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.927 -3.034 -0.497 1.00 0.38 H new ATOM 0 HG21 ILE A 227 7.034 -3.647 3.104 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.927 -2.217 3.675 1.00 0.45 H new ATOM 0 HG23 ILE A 227 6.480 -2.015 2.659 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.886 -5.240 -0.335 1.00 0.46 H new ATOM 0 HD12 ILE A 227 8.459 -5.229 0.497 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.952 -5.156 1.441 1.00 0.46 H new ATOM 362 N ILE A 228 9.047 -1.285 -1.182 1.00 0.24 N ATOM 363 CA ILE A 228 9.839 -1.362 -2.404 1.00 0.21 C ATOM 364 C ILE A 228 10.806 -0.191 -2.479 1.00 0.17 C ATOM 365 O ILE A 228 11.956 -0.340 -2.894 1.00 0.17 O ATOM 366 CB ILE A 228 8.943 -1.368 -3.658 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.042 -2.604 -3.659 1.00 0.29 C ATOM 368 CG2 ILE A 228 9.794 -1.329 -4.922 1.00 0.27 C ATOM 369 CD1 ILE A 228 6.899 -2.519 -4.648 1.00 0.36 C ATOM 0 H ILE A 228 8.043 -1.184 -1.334 1.00 0.24 H new ATOM 0 HA ILE A 228 10.397 -2.298 -2.375 1.00 0.21 H new ATOM 0 HB ILE A 228 8.314 -0.478 -3.639 1.00 0.26 H new ATOM 0 HG12 ILE A 228 8.645 -3.483 -3.888 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.636 -2.748 -2.658 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.145 -1.334 -5.798 1.00 0.27 H new ATOM 0 HG22 ILE A 228 10.400 -0.423 -4.925 1.00 0.27 H new ATOM 0 HG23 ILE A 228 10.446 -2.202 -4.949 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.302 -3.430 -4.594 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.273 -1.660 -4.407 1.00 0.36 H new ATOM 0 HD13 ILE A 228 7.298 -2.406 -5.656 1.00 0.36 H new ATOM 381 N VAL A 229 10.324 0.974 -2.069 1.00 0.17 N ATOM 382 CA VAL A 229 11.130 2.183 -2.071 1.00 0.18 C ATOM 383 C VAL A 229 12.403 1.983 -1.253 1.00 0.14 C ATOM 384 O VAL A 229 13.501 2.311 -1.702 1.00 0.17 O ATOM 385 CB VAL A 229 10.332 3.369 -1.495 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.220 4.592 -1.320 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.143 3.689 -2.387 1.00 0.30 C ATOM 0 H VAL A 229 9.371 1.106 -1.729 1.00 0.17 H new ATOM 0 HA VAL A 229 11.400 2.402 -3.104 1.00 0.18 H new ATOM 0 HB VAL A 229 9.960 3.084 -0.511 1.00 0.24 H new ATOM 0 HG11 VAL A 229 10.631 5.414 -0.912 1.00 0.27 H new ATOM 0 HG12 VAL A 229 12.035 4.355 -0.636 1.00 0.27 H new ATOM 0 HG13 VAL A 229 11.631 4.885 -2.286 1.00 0.27 H new ATOM 0 HG21 VAL A 229 8.589 4.529 -1.967 1.00 0.30 H new ATOM 0 HG22 VAL A 229 9.496 3.950 -3.385 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.490 2.818 -2.449 1.00 0.30 H new ATOM 397 N TRP A 230 12.243 1.444 -0.048 1.00 0.14 N ATOM 398 CA TRP A 230 13.372 1.192 0.838 1.00 0.16 C ATOM 399 C TRP A 230 14.203 0.019 0.337 1.00 0.12 C ATOM 400 O TRP A 230 15.430 0.044 0.384 1.00 0.17 O ATOM 401 CB TRP A 230 12.881 0.918 2.262 1.00 0.24 C ATOM 402 CG TRP A 230 12.569 2.164 3.031 1.00 0.32 C ATOM 403 CD1 TRP A 230 13.465 3.070 3.520 1.00 0.35 C ATOM 404 CD2 TRP A 230 11.271 2.640 3.407 1.00 0.40 C ATOM 405 NE1 TRP A 230 12.805 4.082 4.174 1.00 0.43 N ATOM 406 CE2 TRP A 230 11.457 3.840 4.118 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.970 2.169 3.209 1.00 0.44 C ATOM 408 CZ2 TRP A 230 10.392 4.574 4.633 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.913 2.898 3.721 1.00 0.54 C ATOM 410 CH2 TRP A 230 9.129 4.090 4.426 1.00 0.59 C ATOM 0 H TRP A 230 11.338 1.173 0.337 1.00 0.14 H new ATOM 0 HA TRP A 230 14.002 2.082 0.846 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.988 0.294 2.217 1.00 0.24 H new ATOM 0 HB3 TRP A 230 13.641 0.349 2.798 1.00 0.24 H new ATOM 0 HD1 TRP A 230 14.537 3.001 3.409 1.00 0.35 H new ATOM 0 HE1 TRP A 230 13.246 4.882 4.627 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.794 1.252 2.666 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 10.557 5.493 5.176 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.903 2.543 3.575 1.00 0.54 H new ATOM 0 HH2 TRP A 230 8.282 4.637 4.813 1.00 0.59 H new ATOM 421 N ALA A 231 13.515 -1.003 -0.153 1.00 0.11 N ATOM 422 CA ALA A 231 14.164 -2.205 -0.660 1.00 0.16 C ATOM 423 C ALA A 231 14.962 -1.917 -1.926 1.00 0.20 C ATOM 424 O ALA A 231 15.674 -2.785 -2.432 1.00 0.29 O ATOM 425 CB ALA A 231 13.118 -3.273 -0.929 1.00 0.20 C ATOM 0 H ALA A 231 12.497 -1.023 -0.210 1.00 0.11 H new ATOM 0 HA ALA A 231 14.864 -2.561 0.096 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.605 -4.172 -1.308 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.592 -3.508 -0.004 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.406 -2.907 -1.668 1.00 0.20 H new ATOM 431 N VAL A 232 14.826 -0.703 -2.439 1.00 0.21 N ATOM 432 CA VAL A 232 15.544 -0.291 -3.638 1.00 0.33 C ATOM 433 C VAL A 232 16.475 0.874 -3.313 1.00 0.39 C ATOM 434 O VAL A 232 17.226 1.361 -4.159 1.00 0.50 O ATOM 435 CB VAL A 232 14.565 0.089 -4.768 1.00 0.37 C ATOM 436 CG1 VAL A 232 15.295 0.721 -5.942 1.00 0.51 C ATOM 437 CG2 VAL A 232 13.798 -1.144 -5.216 1.00 0.37 C ATOM 0 H VAL A 232 14.223 0.017 -2.042 1.00 0.21 H new ATOM 0 HA VAL A 232 16.143 -1.132 -3.989 1.00 0.33 H new ATOM 0 HB VAL A 232 13.863 0.828 -4.383 1.00 0.37 H new ATOM 0 HG11 VAL A 232 14.577 0.977 -6.721 1.00 0.51 H new ATOM 0 HG12 VAL A 232 15.807 1.624 -5.609 1.00 0.51 H new ATOM 0 HG13 VAL A 232 16.025 0.016 -6.339 1.00 0.51 H new ATOM 0 HG21 VAL A 232 13.107 -0.873 -6.014 1.00 0.37 H new ATOM 0 HG22 VAL A 232 14.498 -1.895 -5.582 1.00 0.37 H new ATOM 0 HG23 VAL A 232 13.238 -1.550 -4.374 1.00 0.37 H new ATOM 447 N ALA A 233 16.455 1.276 -2.053 1.00 0.33 N ATOM 448 CA ALA A 233 17.302 2.355 -1.577 1.00 0.41 C ATOM 449 C ALA A 233 18.229 1.793 -0.514 1.00 0.44 C ATOM 450 O ALA A 233 19.111 2.475 0.007 1.00 0.52 O ATOM 451 CB ALA A 233 16.460 3.493 -1.019 1.00 0.37 C ATOM 0 H ALA A 233 15.856 0.867 -1.336 1.00 0.33 H new ATOM 0 HA ALA A 233 17.888 2.762 -2.401 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.114 4.291 -0.668 1.00 0.37 H new ATOM 0 HB2 ALA A 233 15.805 3.878 -1.801 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.857 3.126 -0.188 1.00 0.37 H new ATOM 457 N LEU A 234 17.994 0.521 -0.214 1.00 0.39 N ATOM 458 CA LEU A 234 18.775 -0.235 0.751 1.00 0.46 C ATOM 459 C LEU A 234 19.401 -1.423 0.035 1.00 0.53 C ATOM 460 O LEU A 234 19.972 -2.320 0.656 1.00 0.60 O ATOM 461 CB LEU A 234 17.876 -0.742 1.883 1.00 0.42 C ATOM 462 CG LEU A 234 17.589 0.242 3.021 1.00 0.43 C ATOM 463 CD1 LEU A 234 17.161 1.599 2.484 1.00 0.39 C ATOM 464 CD2 LEU A 234 16.512 -0.331 3.930 1.00 0.45 C ATOM 0 H LEU A 234 17.243 -0.020 -0.642 1.00 0.39 H new ATOM 0 HA LEU A 234 19.546 0.405 1.179 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.924 -1.050 1.451 1.00 0.42 H new ATOM 0 HB3 LEU A 234 18.336 -1.633 2.310 1.00 0.42 H new ATOM 0 HG LEU A 234 18.506 0.387 3.591 1.00 0.43 H new ATOM 0 HD11 LEU A 234 16.965 2.274 3.317 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.955 2.011 1.862 1.00 0.39 H new ATOM 0 HD13 LEU A 234 16.256 1.485 1.888 1.00 0.39 H new ATOM 0 HD21 LEU A 234 16.308 0.370 4.740 1.00 0.45 H new ATOM 0 HD22 LEU A 234 15.601 -0.496 3.355 1.00 0.45 H new ATOM 0 HD23 LEU A 234 16.854 -1.278 4.347 1.00 0.45 H new ATOM 476 N LYS A 235 19.279 -1.406 -1.290 1.00 0.53 N ATOM 477 CA LYS A 235 19.789 -2.472 -2.134 1.00 0.61 C ATOM 478 C LYS A 235 20.914 -1.969 -3.031 1.00 0.74 C ATOM 479 O LYS A 235 21.499 -2.733 -3.799 1.00 0.82 O ATOM 480 CB LYS A 235 18.650 -3.024 -2.990 1.00 0.54 C ATOM 481 CG LYS A 235 18.323 -4.485 -2.733 1.00 0.55 C ATOM 482 CD LYS A 235 18.097 -4.758 -1.259 1.00 0.53 C ATOM 483 CE LYS A 235 16.761 -5.428 -1.023 1.00 0.49 C ATOM 484 NZ LYS A 235 16.612 -5.895 0.384 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.824 -0.652 -1.804 1.00 0.53 H new ATOM 0 HA LYS A 235 20.191 -3.260 -1.498 1.00 0.61 H new ATOM 0 HB2 LYS A 235 17.756 -2.427 -2.811 1.00 0.54 H new ATOM 0 HB3 LYS A 235 18.910 -2.902 -4.041 1.00 0.54 H new ATOM 0 HG2 LYS A 235 17.432 -4.763 -3.295 1.00 0.55 H new ATOM 0 HG3 LYS A 235 19.138 -5.110 -3.098 1.00 0.55 H new ATOM 0 HD2 LYS A 235 18.897 -5.393 -0.878 1.00 0.53 H new ATOM 0 HD3 LYS A 235 18.140 -3.822 -0.703 1.00 0.53 H new ATOM 0 HE2 LYS A 235 15.958 -4.730 -1.260 1.00 0.49 H new ATOM 0 HE3 LYS A 235 16.656 -6.276 -1.700 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 15.683 -6.348 0.503 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 17.362 -6.581 0.603 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 16.686 -5.083 1.029 1.00 0.56 H new ATOM 498 N GLY A 236 21.213 -0.677 -2.925 1.00 1.13 N ATOM 499 CA GLY A 236 22.265 -0.088 -3.731 1.00 1.30 C ATOM 500 C GLY A 236 21.850 1.231 -4.340 1.00 1.58 C ATOM 501 O GLY A 236 21.864 1.402 -5.557 1.00 1.97 O ATOM 0 H GLY A 236 20.744 -0.028 -2.294 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.151 0.062 -3.115 1.00 1.30 H new ATOM 0 HA3 GLY A 236 22.543 -0.781 -4.525 1.00 1.30 H new ATOM 505 N TYR A 237 21.481 2.160 -3.478 1.00 1.55 N ATOM 506 CA TYR A 237 21.046 3.488 -3.902 1.00 1.93 C ATOM 507 C TYR A 237 22.197 4.273 -4.525 1.00 2.68 C ATOM 508 O TYR A 237 22.007 5.386 -5.015 1.00 3.13 O ATOM 509 CB TYR A 237 20.467 4.263 -2.716 1.00 1.48 C ATOM 510 CG TYR A 237 21.483 4.583 -1.642 1.00 1.63 C ATOM 511 CD1 TYR A 237 21.893 3.613 -0.736 1.00 2.15 C ATOM 512 CD2 TYR A 237 22.032 5.854 -1.535 1.00 2.12 C ATOM 513 CE1 TYR A 237 22.821 3.902 0.247 1.00 2.91 C ATOM 514 CE2 TYR A 237 22.960 6.150 -0.555 1.00 2.76 C ATOM 515 CZ TYR A 237 23.351 5.171 0.333 1.00 3.10 C ATOM 516 OH TYR A 237 24.276 5.463 1.310 1.00 4.00 O ATOM 0 H TYR A 237 21.472 2.022 -2.467 1.00 1.55 H new ATOM 0 HA TYR A 237 20.271 3.360 -4.658 1.00 1.93 H new ATOM 0 HB2 TYR A 237 20.031 5.194 -3.080 1.00 1.48 H new ATOM 0 HB3 TYR A 237 19.657 3.682 -2.275 1.00 1.48 H new ATOM 0 HD1 TYR A 237 21.480 2.617 -0.801 1.00 2.15 H new ATOM 0 HD2 TYR A 237 21.729 6.624 -2.229 1.00 2.12 H new ATOM 0 HE1 TYR A 237 23.129 3.137 0.944 1.00 2.91 H new ATOM 0 HE2 TYR A 237 23.377 7.144 -0.485 1.00 2.76 H new ATOM 0 HH TYR A 237 24.550 6.401 1.231 1.00 4.00 H new ATOM 526 N SER A 238 23.389 3.686 -4.505 1.00 3.04 N ATOM 527 CA SER A 238 24.570 4.333 -5.063 1.00 3.95 C ATOM 528 C SER A 238 24.616 4.192 -6.581 1.00 4.58 C ATOM 529 O SER A 238 25.097 5.084 -7.280 1.00 5.29 O ATOM 530 CB SER A 238 25.837 3.739 -4.446 1.00 4.49 C ATOM 531 OG SER A 238 25.855 3.922 -3.042 1.00 4.96 O ATOM 0 H SER A 238 23.562 2.763 -4.108 1.00 3.04 H new ATOM 0 HA SER A 238 24.514 5.395 -4.823 1.00 3.95 H new ATOM 0 HB2 SER A 238 25.894 2.675 -4.678 1.00 4.49 H new ATOM 0 HB3 SER A 238 26.715 4.209 -4.888 1.00 4.49 H new ATOM 0 HG SER A 238 26.674 3.532 -2.672 1.00 4.96 H new ATOM 537 N MET A 239 24.116 3.068 -7.086 1.00 4.61 N ATOM 538 CA MET A 239 24.112 2.815 -8.523 1.00 5.54 C ATOM 539 C MET A 239 22.711 2.488 -9.031 1.00 5.88 C ATOM 540 O MET A 239 22.530 1.580 -9.845 1.00 6.64 O ATOM 541 CB MET A 239 25.066 1.670 -8.857 1.00 5.96 C ATOM 542 CG MET A 239 26.478 1.885 -8.339 1.00 6.04 C ATOM 543 SD MET A 239 27.630 0.616 -8.905 1.00 6.88 S ATOM 544 CE MET A 239 26.871 -0.858 -8.227 1.00 6.96 C ATOM 0 H MET A 239 23.710 2.320 -6.524 1.00 4.61 H new ATOM 0 HA MET A 239 24.447 3.725 -9.021 1.00 5.54 H new ATOM 0 HB2 MET A 239 24.671 0.745 -8.438 1.00 5.96 H new ATOM 0 HB3 MET A 239 25.100 1.540 -9.939 1.00 5.96 H new ATOM 0 HG2 MET A 239 26.834 2.863 -8.663 1.00 6.04 H new ATOM 0 HG3 MET A 239 26.463 1.896 -7.249 1.00 6.04 H new ATOM 0 HE1 MET A 239 27.591 -1.676 -8.239 1.00 6.96 H new ATOM 0 HE2 MET A 239 26.557 -0.666 -7.201 1.00 6.96 H new ATOM 0 HE3 MET A 239 26.003 -1.129 -8.828 1.00 6.96 H new ATOM 554 N VAL A 240 21.722 3.233 -8.552 1.00 5.58 N ATOM 555 CA VAL A 240 20.339 3.026 -8.966 1.00 6.19 C ATOM 556 C VAL A 240 20.079 3.633 -10.341 1.00 7.44 C ATOM 557 O VAL A 240 20.182 2.891 -11.341 1.00 7.88 O ATOM 558 CB VAL A 240 19.346 3.627 -7.952 1.00 5.82 C ATOM 559 CG1 VAL A 240 19.088 2.651 -6.815 1.00 4.89 C ATOM 560 CG2 VAL A 240 19.869 4.951 -7.415 1.00 5.70 C ATOM 561 OXT VAL A 240 19.776 4.841 -10.409 1.00 8.12 O ATOM 0 H VAL A 240 21.852 3.986 -7.876 1.00 5.58 H new ATOM 0 HA VAL A 240 20.184 1.948 -9.013 1.00 6.19 H new ATOM 0 HB VAL A 240 18.401 3.814 -8.463 1.00 5.82 H new ATOM 0 HG11 VAL A 240 18.385 3.093 -6.109 1.00 4.89 H new ATOM 0 HG12 VAL A 240 18.669 1.728 -7.216 1.00 4.89 H new ATOM 0 HG13 VAL A 240 20.025 2.432 -6.304 1.00 4.89 H new ATOM 0 HG21 VAL A 240 19.155 5.361 -6.700 1.00 5.70 H new ATOM 0 HG22 VAL A 240 20.827 4.790 -6.920 1.00 5.70 H new ATOM 0 HG23 VAL A 240 20.000 5.652 -8.240 1.00 5.70 H new TER 571 VAL A 240