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= -0.509 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 MET CE :methyl -165:sc= -0.39 (180deg=-0.876) USER MOD Single : A 209 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.86) USER MOD Single : A 211 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0.002 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 -25:sc= 0.00185 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 157:sc= -0.213 (180deg=-0.948) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -24.339 -11.249 6.722 1.00 11.27 N ATOM 2 CA GLY A 204 -25.253 -10.150 6.303 1.00 10.74 C ATOM 3 C GLY A 204 -25.118 -9.810 4.832 1.00 10.08 C ATOM 4 O GLY A 204 -24.849 -10.685 4.007 1.00 10.33 O ATOM 0 HA2 GLY A 204 -26.283 -10.439 6.512 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -25.044 -9.261 6.898 1.00 10.74 H new ATOM 10 N SER A 205 -25.305 -8.536 4.502 1.00 9.44 N ATOM 11 CA SER A 205 -25.204 -8.081 3.119 1.00 8.98 C ATOM 12 C SER A 205 -24.335 -6.831 3.018 1.00 8.39 C ATOM 13 O SER A 205 -23.322 -6.824 2.319 1.00 8.34 O ATOM 14 CB SER A 205 -26.596 -7.798 2.552 1.00 9.23 C ATOM 15 OG SER A 205 -26.521 -7.375 1.201 1.00 10.03 O ATOM 0 H SER A 205 -25.527 -7.800 5.173 1.00 9.44 H new ATOM 0 HA SER A 205 -24.735 -8.873 2.535 1.00 8.98 H new ATOM 0 HB2 SER A 205 -27.210 -8.696 2.621 1.00 9.23 H new ATOM 0 HB3 SER A 205 -27.086 -7.030 3.150 1.00 9.23 H new ATOM 0 HG SER A 205 -27.424 -7.202 0.862 1.00 10.03 H new ATOM 21 N PHE A 206 -24.741 -5.776 3.721 1.00 8.19 N ATOM 22 CA PHE A 206 -24.005 -4.514 3.714 1.00 7.85 C ATOM 23 C PHE A 206 -23.811 -3.999 2.291 1.00 7.28 C ATOM 24 O PHE A 206 -22.753 -4.184 1.690 1.00 7.58 O ATOM 25 CB PHE A 206 -22.644 -4.687 4.396 1.00 8.48 C ATOM 26 CG PHE A 206 -22.734 -5.232 5.792 1.00 8.90 C ATOM 27 CD1 PHE A 206 -22.864 -4.379 6.877 1.00 8.94 C ATOM 28 CD2 PHE A 206 -22.689 -6.597 6.018 1.00 9.52 C ATOM 29 CE1 PHE A 206 -22.947 -4.881 8.163 1.00 9.58 C ATOM 30 CE2 PHE A 206 -22.772 -7.105 7.302 1.00 10.16 C ATOM 31 CZ PHE A 206 -22.901 -6.246 8.375 1.00 10.18 C ATOM 0 H PHE A 206 -25.578 -5.770 4.304 1.00 8.19 H new ATOM 0 HA PHE A 206 -24.592 -3.781 4.268 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -22.028 -5.355 3.794 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -22.136 -3.723 4.424 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -22.901 -3.312 6.716 1.00 8.94 H new ATOM 0 HD2 PHE A 206 -22.588 -7.273 5.182 1.00 9.52 H new ATOM 0 HE1 PHE A 206 -23.048 -4.207 9.001 1.00 9.58 H new ATOM 0 HE2 PHE A 206 -22.736 -8.172 7.465 1.00 10.16 H new ATOM 0 HZ PHE A 206 -22.966 -6.640 9.378 1.00 10.18 H new ATOM 41 N THR A 207 -24.843 -3.350 1.758 1.00 6.75 N ATOM 42 CA THR A 207 -24.789 -2.807 0.406 1.00 6.52 C ATOM 43 C THR A 207 -24.713 -1.284 0.426 1.00 5.52 C ATOM 44 O THR A 207 -25.449 -0.605 -0.290 1.00 5.53 O ATOM 45 CB THR A 207 -26.014 -3.242 -0.422 1.00 7.16 C ATOM 46 OG1 THR A 207 -27.218 -2.799 0.214 1.00 7.94 O ATOM 47 CG2 THR A 207 -26.046 -4.755 -0.585 1.00 7.52 C ATOM 0 H THR A 207 -25.726 -3.188 2.242 1.00 6.75 H new ATOM 0 HA THR A 207 -23.887 -3.204 -0.059 1.00 6.52 H new ATOM 0 HB THR A 207 -25.938 -2.787 -1.410 1.00 7.16 H new ATOM 0 HG1 THR A 207 -27.991 -3.078 -0.319 1.00 7.94 H new ATOM 0 HG21 THR A 207 -26.919 -5.039 -1.173 1.00 7.52 H new ATOM 0 HG22 THR A 207 -25.142 -5.085 -1.096 1.00 7.52 H new ATOM 0 HG23 THR A 207 -26.100 -5.226 0.397 1.00 7.52 H new ATOM 55 N MET A 208 -23.816 -0.754 1.251 1.00 4.97 N ATOM 56 CA MET A 208 -23.640 0.689 1.367 1.00 4.29 C ATOM 57 C MET A 208 -22.238 1.023 1.865 1.00 3.61 C ATOM 58 O MET A 208 -21.534 1.837 1.267 1.00 3.96 O ATOM 59 CB MET A 208 -24.690 1.274 2.317 1.00 4.65 C ATOM 60 CG MET A 208 -24.851 2.783 2.206 1.00 5.27 C ATOM 61 SD MET A 208 -23.438 3.695 2.860 1.00 5.92 S ATOM 62 CE MET A 208 -23.478 3.199 4.580 1.00 6.74 C ATOM 0 H MET A 208 -23.199 -1.303 1.850 1.00 4.97 H new ATOM 0 HA MET A 208 -23.769 1.132 0.379 1.00 4.29 H new ATOM 0 HB2 MET A 208 -25.651 0.800 2.116 1.00 4.65 H new ATOM 0 HB3 MET A 208 -24.418 1.022 3.342 1.00 4.65 H new ATOM 0 HG2 MET A 208 -24.996 3.051 1.159 1.00 5.27 H new ATOM 0 HG3 MET A 208 -25.751 3.087 2.741 1.00 5.27 H new ATOM 0 HE1 MET A 208 -22.849 3.869 5.166 1.00 6.74 H new ATOM 0 HE2 MET A 208 -24.503 3.248 4.949 1.00 6.74 H new ATOM 0 HE3 MET A 208 -23.107 2.178 4.673 1.00 6.74 H new ATOM 72 N ASN A 209 -21.840 0.388 2.961 1.00 3.19 N ATOM 73 CA ASN A 209 -20.523 0.615 3.544 1.00 3.10 C ATOM 74 C ASN A 209 -19.484 -0.319 2.929 1.00 2.76 C ATOM 75 O ASN A 209 -18.312 -0.291 3.304 1.00 3.19 O ATOM 76 CB ASN A 209 -20.573 0.417 5.050 1.00 3.66 C ATOM 77 CG ASN A 209 -19.306 0.881 5.744 1.00 4.37 C ATOM 78 OD1 ASN A 209 -18.370 0.107 5.940 1.00 4.83 O ATOM 79 ND2 ASN A 209 -19.273 2.154 6.123 1.00 4.91 N ATOM 0 H ASN A 209 -22.412 -0.290 3.465 1.00 3.19 H new ATOM 0 HA ASN A 209 -20.231 1.643 3.329 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -21.425 0.962 5.456 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -20.736 -0.638 5.268 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -18.449 2.524 6.596 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -20.072 2.761 5.940 1.00 4.91 H new ATOM 86 N ASP A 210 -19.921 -1.141 1.980 1.00 2.20 N ATOM 87 CA ASP A 210 -19.033 -2.083 1.314 1.00 1.85 C ATOM 88 C ASP A 210 -17.935 -1.358 0.546 1.00 1.67 C ATOM 89 O ASP A 210 -16.906 -1.946 0.216 1.00 1.70 O ATOM 90 CB ASP A 210 -19.827 -2.968 0.359 1.00 1.87 C ATOM 91 CG ASP A 210 -20.656 -2.163 -0.623 1.00 2.29 C ATOM 92 OD1 ASP A 210 -21.803 -1.808 -0.277 1.00 2.79 O ATOM 93 OD2 ASP A 210 -20.158 -1.888 -1.733 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.887 -1.172 1.655 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.566 -2.701 2.081 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -19.140 -3.611 -0.191 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -20.483 -3.621 0.934 1.00 1.87 H new ATOM 98 N THR A 211 -18.165 -0.086 0.252 1.00 1.54 N ATOM 99 CA THR A 211 -17.192 0.716 -0.477 1.00 1.39 C ATOM 100 C THR A 211 -15.832 0.684 0.213 1.00 1.19 C ATOM 101 O THR A 211 -14.829 0.310 -0.391 1.00 1.05 O ATOM 102 CB THR A 211 -17.652 2.180 -0.609 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.901 2.241 -1.304 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.615 3.013 -1.349 1.00 1.34 C ATOM 0 H THR A 211 -19.017 0.413 0.507 1.00 1.54 H new ATOM 0 HA THR A 211 -17.106 0.281 -1.473 1.00 1.39 H new ATOM 0 HB THR A 211 -17.773 2.588 0.394 1.00 1.44 H new ATOM 0 HG1 THR A 211 -19.187 3.175 -1.382 1.00 1.62 H new ATOM 0 HG21 THR A 211 -16.965 4.042 -1.428 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.673 2.991 -0.802 1.00 1.34 H new ATOM 0 HG23 THR A 211 -16.464 2.603 -2.348 1.00 1.34 H new ATOM 112 N THR A 212 -15.815 1.068 1.487 1.00 1.20 N ATOM 113 CA THR A 212 -14.583 1.101 2.267 1.00 1.06 C ATOM 114 C THR A 212 -13.851 -0.240 2.231 1.00 0.95 C ATOM 115 O THR A 212 -12.634 -0.292 2.413 1.00 0.80 O ATOM 116 CB THR A 212 -14.859 1.478 3.734 1.00 1.16 C ATOM 117 OG1 THR A 212 -15.713 2.627 3.794 1.00 1.30 O ATOM 118 CG2 THR A 212 -13.561 1.772 4.472 1.00 1.05 C ATOM 0 H THR A 212 -16.645 1.362 2.002 1.00 1.20 H new ATOM 0 HA THR A 212 -13.950 1.862 1.809 1.00 1.06 H new ATOM 0 HB THR A 212 -15.351 0.632 4.214 1.00 1.16 H new ATOM 0 HG1 THR A 212 -15.885 2.859 4.731 1.00 1.30 H new ATOM 0 HG21 THR A 212 -13.782 2.036 5.506 1.00 1.05 H new ATOM 0 HG22 THR A 212 -12.923 0.889 4.451 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.047 2.602 3.988 1.00 1.05 H new ATOM 126 N VAL A 213 -14.590 -1.323 1.996 1.00 1.07 N ATOM 127 CA VAL A 213 -13.986 -2.650 1.943 1.00 1.04 C ATOM 128 C VAL A 213 -12.894 -2.705 0.879 1.00 0.87 C ATOM 129 O VAL A 213 -11.860 -3.347 1.069 1.00 0.79 O ATOM 130 CB VAL A 213 -15.032 -3.745 1.659 1.00 1.21 C ATOM 131 CG1 VAL A 213 -14.385 -5.121 1.677 1.00 1.21 C ATOM 132 CG2 VAL A 213 -16.167 -3.672 2.668 1.00 1.41 C ATOM 0 H VAL A 213 -15.598 -1.307 1.841 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.549 -2.839 2.923 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.446 -3.576 0.665 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -15.140 -5.881 1.474 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -13.609 -5.168 0.913 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.942 -5.302 2.656 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.896 -4.453 2.452 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -15.770 -3.814 3.673 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.649 -2.697 2.603 1.00 1.41 H new ATOM 142 N TRP A 214 -13.129 -2.024 -0.240 1.00 0.85 N ATOM 143 CA TRP A 214 -12.156 -1.989 -1.327 1.00 0.74 C ATOM 144 C TRP A 214 -11.080 -0.948 -1.042 1.00 0.59 C ATOM 145 O TRP A 214 -9.928 -1.108 -1.444 1.00 0.51 O ATOM 146 CB TRP A 214 -12.840 -1.679 -2.659 1.00 0.83 C ATOM 147 CG TRP A 214 -13.984 -2.594 -2.971 1.00 1.03 C ATOM 148 CD1 TRP A 214 -15.300 -2.394 -2.666 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.916 -3.853 -3.648 1.00 1.11 C ATOM 150 NE1 TRP A 214 -16.053 -3.453 -3.113 1.00 1.37 N ATOM 151 CE2 TRP A 214 -15.226 -4.361 -3.720 1.00 1.31 C ATOM 152 CE3 TRP A 214 -12.872 -4.602 -4.203 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -15.522 -5.580 -4.325 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -13.166 -5.812 -4.802 1.00 1.26 C ATOM 155 CH2 TRP A 214 -14.482 -6.292 -4.857 1.00 1.42 C ATOM 0 H TRP A 214 -13.981 -1.492 -0.417 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.690 -2.972 -1.396 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -13.202 -0.651 -2.642 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -12.104 -1.745 -3.460 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.692 -1.530 -2.149 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -17.063 -3.548 -3.010 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.855 -4.241 -4.164 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -16.536 -5.950 -4.372 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -12.369 -6.398 -5.235 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -14.679 -7.243 -5.329 1.00 1.42 H new ATOM 166 N ILE A 215 -11.465 0.124 -0.348 1.00 0.61 N ATOM 167 CA ILE A 215 -10.525 1.182 0.003 1.00 0.53 C ATOM 168 C ILE A 215 -9.345 0.598 0.771 1.00 0.42 C ATOM 169 O ILE A 215 -8.197 0.992 0.561 1.00 0.33 O ATOM 170 CB ILE A 215 -11.202 2.295 0.839 1.00 0.64 C ATOM 171 CG1 ILE A 215 -11.965 3.266 -0.069 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.177 3.053 1.673 1.00 0.60 C ATOM 173 CD1 ILE A 215 -13.118 2.633 -0.816 1.00 0.91 C ATOM 0 H ILE A 215 -12.418 0.280 -0.020 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.170 1.632 -0.924 1.00 0.53 H new ATOM 0 HB ILE A 215 -11.911 1.818 1.516 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.345 4.089 0.535 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.270 3.695 -0.791 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -10.680 3.829 2.250 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -9.677 2.362 2.352 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.439 3.511 1.014 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.606 3.385 -1.436 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.744 1.828 -1.449 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.836 2.229 -0.102 1.00 0.91 H new ATOM 185 N SER A 216 -9.637 -0.345 1.664 1.00 0.46 N ATOM 186 CA SER A 216 -8.595 -1.000 2.443 1.00 0.40 C ATOM 187 C SER A 216 -7.602 -1.665 1.500 1.00 0.29 C ATOM 188 O SER A 216 -6.401 -1.712 1.770 1.00 0.24 O ATOM 189 CB SER A 216 -9.201 -2.038 3.390 1.00 0.49 C ATOM 190 OG SER A 216 -10.092 -1.431 4.309 1.00 1.35 O ATOM 0 H SER A 216 -10.583 -0.670 1.864 1.00 0.46 H new ATOM 0 HA SER A 216 -8.079 -0.252 3.045 1.00 0.40 H new ATOM 0 HB2 SER A 216 -9.730 -2.796 2.813 1.00 0.49 H new ATOM 0 HB3 SER A 216 -8.405 -2.548 3.933 1.00 0.49 H new ATOM 0 HG SER A 216 -10.467 -2.115 4.902 1.00 1.35 H new ATOM 196 N VAL A 217 -8.123 -2.178 0.390 1.00 0.31 N ATOM 197 CA VAL A 217 -7.307 -2.826 -0.619 1.00 0.26 C ATOM 198 C VAL A 217 -6.540 -1.784 -1.422 1.00 0.19 C ATOM 199 O VAL A 217 -5.444 -2.042 -1.918 1.00 0.19 O ATOM 200 CB VAL A 217 -8.174 -3.671 -1.571 1.00 0.38 C ATOM 201 CG1 VAL A 217 -7.325 -4.287 -2.671 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.915 -4.747 -0.795 1.00 0.48 C ATOM 0 H VAL A 217 -9.119 -2.154 0.169 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.603 -3.485 -0.110 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.909 -3.017 -2.040 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.959 -4.879 -3.331 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.843 -3.496 -3.245 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.564 -4.929 -2.227 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.524 -5.336 -1.481 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -8.196 -5.398 -0.298 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.558 -4.280 -0.049 1.00 0.48 H new ATOM 212 N ALA A 218 -7.135 -0.603 -1.543 1.00 0.21 N ATOM 213 CA ALA A 218 -6.524 0.498 -2.274 1.00 0.21 C ATOM 214 C ALA A 218 -5.211 0.914 -1.626 1.00 0.14 C ATOM 215 O ALA A 218 -4.223 1.192 -2.310 1.00 0.18 O ATOM 216 CB ALA A 218 -7.481 1.679 -2.328 1.00 0.27 C ATOM 0 H ALA A 218 -8.046 -0.384 -1.141 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.312 0.164 -3.290 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -7.017 2.499 -2.876 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.400 1.380 -2.832 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.713 2.006 -1.314 1.00 0.27 H new ATOM 222 N VAL A 219 -5.210 0.947 -0.299 1.00 0.10 N ATOM 223 CA VAL A 219 -4.031 1.335 0.460 1.00 0.14 C ATOM 224 C VAL A 219 -2.902 0.324 0.290 1.00 0.17 C ATOM 225 O VAL A 219 -1.733 0.701 0.227 1.00 0.25 O ATOM 226 CB VAL A 219 -4.361 1.483 1.956 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.186 2.087 2.708 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.608 2.332 2.140 1.00 0.20 C ATOM 0 H VAL A 219 -6.018 0.708 0.275 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.702 2.298 0.069 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.553 0.492 2.367 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.440 2.183 3.764 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.315 1.440 2.602 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.959 3.071 2.298 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.829 2.428 3.203 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.441 3.321 1.713 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.449 1.857 1.636 1.00 0.20 H new ATOM 238 N LEU A 220 -3.257 -0.957 0.216 1.00 0.15 N ATOM 239 CA LEU A 220 -2.263 -2.016 0.052 1.00 0.20 C ATOM 240 C LEU A 220 -1.414 -1.761 -1.182 1.00 0.21 C ATOM 241 O LEU A 220 -0.191 -1.899 -1.148 1.00 0.26 O ATOM 242 CB LEU A 220 -2.943 -3.380 -0.067 1.00 0.20 C ATOM 243 CG LEU A 220 -4.116 -3.603 0.884 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.667 -5.013 0.732 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.696 -3.344 2.324 1.00 0.27 C ATOM 0 H LEU A 220 -4.221 -1.286 0.267 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.622 -2.016 0.933 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.296 -3.505 -1.091 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.199 -4.157 0.110 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.905 -2.897 0.626 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.502 -5.153 1.418 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -5.010 -5.161 -0.292 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -3.884 -5.736 0.961 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.546 -3.508 2.986 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.888 -4.024 2.595 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.353 -2.314 2.423 1.00 0.27 H new ATOM 257 N SER A 221 -2.076 -1.393 -2.273 1.00 0.20 N ATOM 258 CA SER A 221 -1.382 -1.106 -3.522 1.00 0.25 C ATOM 259 C SER A 221 -0.299 -0.060 -3.294 1.00 0.28 C ATOM 260 O SER A 221 0.783 -0.132 -3.873 1.00 0.33 O ATOM 261 CB SER A 221 -2.368 -0.619 -4.585 1.00 0.27 C ATOM 262 OG SER A 221 -1.705 -0.332 -5.804 1.00 1.14 O ATOM 0 H SER A 221 -3.089 -1.287 -2.318 1.00 0.20 H new ATOM 0 HA SER A 221 -0.916 -2.025 -3.877 1.00 0.25 H new ATOM 0 HB2 SER A 221 -3.131 -1.379 -4.753 1.00 0.27 H new ATOM 0 HB3 SER A 221 -2.881 0.274 -4.228 1.00 0.27 H new ATOM 0 HG SER A 221 -2.358 -0.024 -6.467 1.00 1.14 H new ATOM 268 N ALA A 222 -0.611 0.929 -2.465 1.00 0.28 N ATOM 269 CA ALA A 222 0.345 1.978 -2.138 1.00 0.32 C ATOM 270 C ALA A 222 1.436 1.449 -1.210 1.00 0.35 C ATOM 271 O ALA A 222 2.609 1.790 -1.356 1.00 0.38 O ATOM 272 CB ALA A 222 -0.365 3.163 -1.502 1.00 0.33 C ATOM 0 H ALA A 222 -1.518 1.026 -2.008 1.00 0.28 H new ATOM 0 HA ALA A 222 0.817 2.310 -3.063 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.363 3.938 -1.264 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -1.104 3.561 -2.198 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.864 2.841 -0.588 1.00 0.33 H new ATOM 278 N VAL A 223 1.035 0.604 -0.261 1.00 0.35 N ATOM 279 CA VAL A 223 1.961 0.029 0.712 1.00 0.39 C ATOM 280 C VAL A 223 3.099 -0.733 0.038 1.00 0.40 C ATOM 281 O VAL A 223 4.269 -0.511 0.355 1.00 0.42 O ATOM 282 CB VAL A 223 1.230 -0.905 1.703 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.224 -1.664 2.570 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.268 -0.107 2.572 1.00 0.39 C ATOM 0 H VAL A 223 0.068 0.301 -0.146 1.00 0.35 H new ATOM 0 HA VAL A 223 2.388 0.867 1.263 1.00 0.39 H new ATOM 0 HB VAL A 223 0.659 -1.633 1.126 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.684 -2.314 3.259 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.874 -2.267 1.936 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.827 -0.955 3.138 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.239 -0.779 3.265 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.823 0.643 3.135 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.470 0.387 1.939 1.00 0.39 H new ATOM 294 N ILE A 224 2.763 -1.633 -0.884 1.00 0.40 N ATOM 295 CA ILE A 224 3.784 -2.410 -1.577 1.00 0.42 C ATOM 296 C ILE A 224 4.786 -1.490 -2.264 1.00 0.39 C ATOM 297 O ILE A 224 5.967 -1.812 -2.374 1.00 0.39 O ATOM 298 CB ILE A 224 3.172 -3.381 -2.608 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.286 -2.632 -3.603 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.378 -4.470 -1.904 1.00 0.51 C ATOM 301 CD1 ILE A 224 3.007 -2.216 -4.867 1.00 0.46 C ATOM 0 H ILE A 224 1.804 -1.839 -1.165 1.00 0.40 H new ATOM 0 HA ILE A 224 4.299 -3.004 -0.822 1.00 0.42 H new ATOM 0 HB ILE A 224 3.987 -3.847 -3.163 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.439 -3.265 -3.870 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.880 -1.744 -3.118 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.953 -5.147 -2.645 1.00 0.51 H new ATOM 0 HG22 ILE A 224 3.037 -5.028 -1.239 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.575 -4.017 -1.323 1.00 0.51 H new ATOM 0 HD11 ILE A 224 2.315 -1.690 -5.524 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.837 -1.557 -4.612 1.00 0.46 H new ATOM 0 HD13 ILE A 224 3.389 -3.101 -5.376 1.00 0.46 H new ATOM 313 N CYS A 225 4.305 -0.343 -2.732 1.00 0.38 N ATOM 314 CA CYS A 225 5.162 0.636 -3.389 1.00 0.36 C ATOM 315 C CYS A 225 6.147 1.240 -2.393 1.00 0.34 C ATOM 316 O CYS A 225 7.287 1.548 -2.738 1.00 0.34 O ATOM 317 CB CYS A 225 4.319 1.745 -4.021 1.00 0.36 C ATOM 318 SG CYS A 225 5.284 2.991 -4.908 1.00 1.36 S ATOM 0 H CYS A 225 3.325 -0.069 -2.668 1.00 0.38 H new ATOM 0 HA CYS A 225 5.722 0.126 -4.173 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.605 1.295 -4.711 1.00 0.36 H new ATOM 0 HB3 CYS A 225 3.741 2.237 -3.239 1.00 0.36 H new ATOM 0 HG CYS A 225 6.493 3.023 -4.432 1.00 1.36 H new ATOM 324 N LEU A 226 5.688 1.409 -1.156 1.00 0.35 N ATOM 325 CA LEU A 226 6.508 1.989 -0.098 1.00 0.35 C ATOM 326 C LEU A 226 7.676 1.079 0.283 1.00 0.31 C ATOM 327 O LEU A 226 8.820 1.528 0.344 1.00 0.29 O ATOM 328 CB LEU A 226 5.646 2.280 1.134 1.00 0.40 C ATOM 329 CG LEU A 226 5.064 3.696 1.201 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.100 3.939 0.050 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.369 3.920 2.536 1.00 0.51 C ATOM 0 H LEU A 226 4.746 1.150 -0.861 1.00 0.35 H new ATOM 0 HA LEU A 226 6.927 2.920 -0.479 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.824 1.565 1.160 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.247 2.108 2.027 1.00 0.40 H new ATOM 0 HG LEU A 226 5.884 4.408 1.112 1.00 0.46 H new ATOM 0 HD11 LEU A 226 3.699 4.950 0.118 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.627 3.820 -0.897 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.282 3.221 0.103 1.00 0.44 H new ATOM 0 HD21 LEU A 226 3.961 4.930 2.569 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.561 3.198 2.651 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.087 3.793 3.346 1.00 0.51 H new ATOM 343 N ILE A 227 7.385 -0.193 0.544 1.00 0.33 N ATOM 344 CA ILE A 227 8.424 -1.146 0.927 1.00 0.31 C ATOM 345 C ILE A 227 9.540 -1.207 -0.111 1.00 0.25 C ATOM 346 O ILE A 227 10.706 -1.378 0.238 1.00 0.22 O ATOM 347 CB ILE A 227 7.864 -2.565 1.155 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.281 -3.138 -0.135 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.814 -2.544 2.255 1.00 0.45 C ATOM 350 CD1 ILE A 227 7.292 -4.650 -0.180 1.00 0.46 C ATOM 0 H ILE A 227 6.445 -0.586 0.498 1.00 0.33 H new ATOM 0 HA ILE A 227 8.831 -0.781 1.870 1.00 0.31 H new ATOM 0 HB ILE A 227 8.685 -3.211 1.467 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.256 -2.786 -0.249 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.847 -2.753 -0.983 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.426 -3.551 2.407 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.264 -2.185 3.181 1.00 0.45 H new ATOM 0 HG23 ILE A 227 5.998 -1.881 1.967 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.864 -4.989 -1.123 1.00 0.46 H new ATOM 0 HD12 ILE A 227 8.318 -5.009 -0.097 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.702 -5.043 0.648 1.00 0.46 H new ATOM 362 N ILE A 228 9.180 -1.084 -1.386 1.00 0.24 N ATOM 363 CA ILE A 228 10.163 -1.131 -2.462 1.00 0.21 C ATOM 364 C ILE A 228 11.144 0.024 -2.327 1.00 0.17 C ATOM 365 O ILE A 228 12.340 -0.125 -2.582 1.00 0.17 O ATOM 366 CB ILE A 228 9.491 -1.067 -3.849 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.525 -2.239 -4.025 1.00 0.29 C ATOM 368 CG2 ILE A 228 10.542 -1.071 -4.951 1.00 0.27 C ATOM 369 CD1 ILE A 228 7.589 -2.081 -5.202 1.00 0.36 C ATOM 0 H ILE A 228 8.218 -0.951 -1.698 1.00 0.24 H new ATOM 0 HA ILE A 228 10.693 -2.080 -2.379 1.00 0.21 H new ATOM 0 HB ILE A 228 8.925 -0.138 -3.918 1.00 0.26 H new ATOM 0 HG12 ILE A 228 9.100 -3.157 -4.149 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.935 -2.353 -3.115 1.00 0.29 H new ATOM 0 HG21 ILE A 228 10.050 -1.025 -5.923 1.00 0.27 H new ATOM 0 HG22 ILE A 228 11.195 -0.206 -4.834 1.00 0.27 H new ATOM 0 HG23 ILE A 228 11.134 -1.984 -4.886 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.933 -2.950 -5.265 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.988 -1.181 -5.071 1.00 0.36 H new ATOM 0 HD13 ILE A 228 8.170 -1.998 -6.120 1.00 0.36 H new ATOM 381 N VAL A 229 10.621 1.172 -1.922 1.00 0.17 N ATOM 382 CA VAL A 229 11.431 2.364 -1.734 1.00 0.18 C ATOM 383 C VAL A 229 12.544 2.105 -0.723 1.00 0.14 C ATOM 384 O VAL A 229 13.706 2.433 -0.965 1.00 0.17 O ATOM 385 CB VAL A 229 10.561 3.542 -1.254 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.423 4.742 -0.888 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.539 3.917 -2.317 1.00 0.30 C ATOM 0 H VAL A 229 9.631 1.302 -1.716 1.00 0.17 H new ATOM 0 HA VAL A 229 11.877 2.621 -2.695 1.00 0.18 H new ATOM 0 HB VAL A 229 10.026 3.227 -0.358 1.00 0.24 H new ATOM 0 HG11 VAL A 229 10.785 5.560 -0.552 1.00 0.27 H new ATOM 0 HG12 VAL A 229 12.110 4.466 -0.088 1.00 0.27 H new ATOM 0 HG13 VAL A 229 11.992 5.061 -1.761 1.00 0.27 H new ATOM 0 HG21 VAL A 229 8.933 4.750 -1.961 1.00 0.30 H new ATOM 0 HG22 VAL A 229 10.055 4.208 -3.232 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.895 3.061 -2.521 1.00 0.30 H new ATOM 397 N TRP A 230 12.178 1.516 0.411 1.00 0.14 N ATOM 398 CA TRP A 230 13.141 1.206 1.461 1.00 0.16 C ATOM 399 C TRP A 230 14.037 0.050 1.039 1.00 0.12 C ATOM 400 O TRP A 230 15.235 0.048 1.307 1.00 0.17 O ATOM 401 CB TRP A 230 12.421 0.853 2.763 1.00 0.24 C ATOM 402 CG TRP A 230 11.964 2.051 3.536 1.00 0.32 C ATOM 403 CD1 TRP A 230 12.753 2.969 4.165 1.00 0.35 C ATOM 404 CD2 TRP A 230 10.611 2.455 3.770 1.00 0.40 C ATOM 405 NE1 TRP A 230 11.973 3.925 4.771 1.00 0.43 N ATOM 406 CE2 TRP A 230 10.653 3.630 4.543 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.366 1.938 3.398 1.00 0.44 C ATOM 408 CZ2 TRP A 230 9.500 4.296 4.952 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.223 2.599 3.804 1.00 0.54 C ATOM 410 CH2 TRP A 230 8.296 3.765 4.574 1.00 0.59 C ATOM 0 H TRP A 230 11.219 1.243 0.626 1.00 0.14 H new ATOM 0 HA TRP A 230 13.758 2.089 1.627 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.558 0.227 2.534 1.00 0.24 H new ATOM 0 HB3 TRP A 230 13.088 0.260 3.388 1.00 0.24 H new ATOM 0 HD1 TRP A 230 13.833 2.948 4.184 1.00 0.35 H new ATOM 0 HE1 TRP A 230 12.319 4.723 5.303 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.299 1.038 2.804 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 9.554 5.197 5.545 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.256 2.209 3.522 1.00 0.54 H new ATOM 0 HH2 TRP A 230 7.383 4.257 4.877 1.00 0.59 H new ATOM 421 N ALA A 231 13.441 -0.924 0.370 1.00 0.11 N ATOM 422 CA ALA A 231 14.163 -2.103 -0.091 1.00 0.16 C ATOM 423 C ALA A 231 15.201 -1.744 -1.145 1.00 0.20 C ATOM 424 O ALA A 231 15.995 -2.587 -1.558 1.00 0.29 O ATOM 425 CB ALA A 231 13.178 -3.117 -0.643 1.00 0.20 C ATOM 0 H ALA A 231 12.449 -0.922 0.131 1.00 0.11 H new ATOM 0 HA ALA A 231 14.694 -2.535 0.758 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.718 -3.999 -0.988 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.475 -3.405 0.139 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.632 -2.677 -1.477 1.00 0.20 H new ATOM 431 N VAL A 232 15.182 -0.492 -1.578 1.00 0.21 N ATOM 432 CA VAL A 232 16.131 -0.015 -2.574 1.00 0.33 C ATOM 433 C VAL A 232 16.998 1.091 -1.979 1.00 0.39 C ATOM 434 O VAL A 232 17.916 1.608 -2.616 1.00 0.50 O ATOM 435 CB VAL A 232 15.410 0.472 -3.845 1.00 0.37 C ATOM 436 CG1 VAL A 232 16.379 1.157 -4.797 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.730 -0.704 -4.526 1.00 0.37 C ATOM 0 H VAL A 232 14.519 0.213 -1.255 1.00 0.21 H new ATOM 0 HA VAL A 232 16.774 -0.846 -2.864 1.00 0.33 H new ATOM 0 HB VAL A 232 14.656 1.206 -3.560 1.00 0.37 H new ATOM 0 HG11 VAL A 232 15.842 1.490 -5.685 1.00 0.51 H new ATOM 0 HG12 VAL A 232 16.829 2.017 -4.301 1.00 0.51 H new ATOM 0 HG13 VAL A 232 17.161 0.455 -5.088 1.00 0.51 H new ATOM 0 HG21 VAL A 232 14.220 -0.359 -5.425 1.00 0.37 H new ATOM 0 HG22 VAL A 232 15.478 -1.450 -4.797 1.00 0.37 H new ATOM 0 HG23 VAL A 232 14.004 -1.149 -3.845 1.00 0.37 H new ATOM 447 N ALA A 233 16.718 1.416 -0.727 1.00 0.33 N ATOM 448 CA ALA A 233 17.477 2.421 -0.009 1.00 0.41 C ATOM 449 C ALA A 233 18.130 1.753 1.187 1.00 0.44 C ATOM 450 O ALA A 233 18.880 2.367 1.945 1.00 0.52 O ATOM 451 CB ALA A 233 16.585 3.569 0.439 1.00 0.37 C ATOM 0 H ALA A 233 15.964 0.993 -0.186 1.00 0.33 H new ATOM 0 HA ALA A 233 18.237 2.845 -0.666 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.183 4.307 0.975 1.00 0.37 H new ATOM 0 HB2 ALA A 233 16.128 4.036 -0.433 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.804 3.188 1.097 1.00 0.37 H new ATOM 457 N LEU A 234 17.804 0.474 1.336 1.00 0.39 N ATOM 458 CA LEU A 234 18.340 -0.366 2.392 1.00 0.46 C ATOM 459 C LEU A 234 19.077 -1.532 1.751 1.00 0.53 C ATOM 460 O LEU A 234 19.433 -2.505 2.415 1.00 0.60 O ATOM 461 CB LEU A 234 17.213 -0.908 3.280 1.00 0.42 C ATOM 462 CG LEU A 234 16.691 0.024 4.379 1.00 0.43 C ATOM 463 CD1 LEU A 234 16.398 1.412 3.835 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.439 -0.573 5.002 1.00 0.45 C ATOM 0 H LEU A 234 17.153 -0.011 0.718 1.00 0.39 H new ATOM 0 HA LEU A 234 19.015 0.224 3.013 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.375 -1.179 2.638 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.563 -1.826 3.751 1.00 0.42 H new ATOM 0 HG LEU A 234 17.464 0.124 5.141 1.00 0.43 H new ATOM 0 HD11 LEU A 234 16.030 2.048 4.640 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.311 1.841 3.422 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.643 1.344 3.052 1.00 0.39 H new ATOM 0 HD21 LEU A 234 15.069 0.091 5.783 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.673 -0.693 4.236 1.00 0.45 H new ATOM 0 HD23 LEU A 234 15.676 -1.545 5.434 1.00 0.45 H new ATOM 476 N LYS A 235 19.299 -1.410 0.446 1.00 0.53 N ATOM 477 CA LYS A 235 19.965 -2.440 -0.324 1.00 0.61 C ATOM 478 C LYS A 235 21.310 -1.941 -0.843 1.00 0.74 C ATOM 479 O LYS A 235 21.620 -2.060 -2.029 1.00 0.82 O ATOM 480 CB LYS A 235 19.060 -2.868 -1.484 1.00 0.54 C ATOM 481 CG LYS A 235 18.655 -4.331 -1.450 1.00 0.55 C ATOM 482 CD LYS A 235 18.079 -4.720 -0.104 1.00 0.53 C ATOM 483 CE LYS A 235 16.719 -5.366 -0.248 1.00 0.49 C ATOM 484 NZ LYS A 235 16.234 -5.942 1.037 1.00 0.56 N1+ ATOM 0 H LYS A 235 19.021 -0.595 -0.101 1.00 0.53 H new ATOM 0 HA LYS A 235 20.156 -3.300 0.317 1.00 0.61 H new ATOM 0 HB2 LYS A 235 18.160 -2.253 -1.474 1.00 0.54 H new ATOM 0 HB3 LYS A 235 19.573 -2.666 -2.424 1.00 0.54 H new ATOM 0 HG2 LYS A 235 17.919 -4.523 -2.231 1.00 0.55 H new ATOM 0 HG3 LYS A 235 19.522 -4.954 -1.669 1.00 0.55 H new ATOM 0 HD2 LYS A 235 18.759 -5.409 0.398 1.00 0.53 H new ATOM 0 HD3 LYS A 235 17.998 -3.835 0.527 1.00 0.53 H new ATOM 0 HE2 LYS A 235 16.003 -4.627 -0.607 1.00 0.49 H new ATOM 0 HE3 LYS A 235 16.769 -6.152 -1.001 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 15.299 -6.374 0.893 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 16.903 -6.666 1.367 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 16.160 -5.188 1.750 1.00 0.56 H new ATOM 498 N GLY A 236 22.107 -1.382 0.067 1.00 1.13 N ATOM 499 CA GLY A 236 23.411 -0.862 -0.296 1.00 1.30 C ATOM 500 C GLY A 236 23.695 0.479 0.351 1.00 1.58 C ATOM 501 O GLY A 236 24.625 1.185 -0.041 1.00 1.97 O ATOM 0 H GLY A 236 21.868 -1.281 1.054 1.00 1.13 H new ATOM 0 HA2 GLY A 236 24.180 -1.576 -0.000 1.00 1.30 H new ATOM 0 HA3 GLY A 236 23.471 -0.760 -1.380 1.00 1.30 H new ATOM 505 N TYR A 237 22.887 0.827 1.345 1.00 1.55 N ATOM 506 CA TYR A 237 23.034 2.094 2.052 1.00 1.93 C ATOM 507 C TYR A 237 23.106 1.875 3.562 1.00 2.68 C ATOM 508 O TYR A 237 23.357 2.809 4.322 1.00 3.13 O ATOM 509 CB TYR A 237 21.862 3.017 1.718 1.00 1.48 C ATOM 510 CG TYR A 237 21.637 3.186 0.236 1.00 1.63 C ATOM 511 CD1 TYR A 237 20.913 2.252 -0.491 1.00 2.15 C ATOM 512 CD2 TYR A 237 22.149 4.286 -0.435 1.00 2.12 C ATOM 513 CE1 TYR A 237 20.707 2.409 -1.849 1.00 2.91 C ATOM 514 CE2 TYR A 237 21.950 4.453 -1.788 1.00 2.76 C ATOM 515 CZ TYR A 237 21.214 3.482 -2.494 1.00 3.10 C ATOM 516 OH TYR A 237 21.027 3.675 -3.843 1.00 4.00 O ATOM 0 H TYR A 237 22.119 0.246 1.681 1.00 1.55 H new ATOM 0 HA TYR A 237 23.966 2.558 1.728 1.00 1.93 H new ATOM 0 HB2 TYR A 237 20.955 2.619 2.173 1.00 1.48 H new ATOM 0 HB3 TYR A 237 22.040 3.995 2.165 1.00 1.48 H new ATOM 0 HD1 TYR A 237 20.504 1.388 0.012 1.00 2.15 H new ATOM 0 HD2 TYR A 237 22.714 5.025 0.113 1.00 2.12 H new ATOM 0 HE1 TYR A 237 20.139 1.671 -2.396 1.00 2.91 H new ATOM 0 HE2 TYR A 237 22.352 5.315 -2.299 1.00 2.76 H new ATOM 0 HH TYR A 237 21.468 4.505 -4.119 1.00 4.00 H new ATOM 526 N SER A 238 22.880 0.635 3.986 1.00 3.04 N ATOM 527 CA SER A 238 22.915 0.295 5.405 1.00 3.95 C ATOM 528 C SER A 238 24.220 -0.405 5.764 1.00 4.58 C ATOM 529 O SER A 238 24.835 -0.110 6.789 1.00 5.29 O ATOM 530 CB SER A 238 21.734 -0.609 5.760 1.00 4.49 C ATOM 531 OG SER A 238 21.593 -0.739 7.165 1.00 4.96 O ATOM 0 H SER A 238 22.671 -0.150 3.369 1.00 3.04 H new ATOM 0 HA SER A 238 22.847 1.221 5.976 1.00 3.95 H new ATOM 0 HB2 SER A 238 20.818 -0.198 5.336 1.00 4.49 H new ATOM 0 HB3 SER A 238 21.878 -1.593 5.314 1.00 4.49 H new ATOM 0 HG SER A 238 20.830 -1.321 7.365 1.00 4.96 H new ATOM 537 N MET A 239 24.634 -1.334 4.910 1.00 4.61 N ATOM 538 CA MET A 239 25.864 -2.088 5.132 1.00 5.54 C ATOM 539 C MET A 239 27.074 -1.351 4.573 1.00 5.88 C ATOM 540 O MET A 239 28.037 -1.969 4.118 1.00 6.64 O ATOM 541 CB MET A 239 25.761 -3.471 4.493 1.00 5.96 C ATOM 542 CG MET A 239 24.609 -4.302 5.030 1.00 6.04 C ATOM 543 SD MET A 239 24.616 -5.990 4.398 1.00 6.88 S ATOM 544 CE MET A 239 26.165 -6.595 5.062 1.00 6.96 C ATOM 0 H MET A 239 24.136 -1.584 4.056 1.00 4.61 H new ATOM 0 HA MET A 239 25.997 -2.197 6.208 1.00 5.54 H new ATOM 0 HB2 MET A 239 25.645 -3.357 3.415 1.00 5.96 H new ATOM 0 HB3 MET A 239 26.695 -4.009 4.658 1.00 5.96 H new ATOM 0 HG2 MET A 239 24.660 -4.326 6.119 1.00 6.04 H new ATOM 0 HG3 MET A 239 23.666 -3.823 4.765 1.00 6.04 H new ATOM 0 HE1 MET A 239 26.135 -7.683 5.122 1.00 6.96 H new ATOM 0 HE2 MET A 239 26.984 -6.290 4.411 1.00 6.96 H new ATOM 0 HE3 MET A 239 26.320 -6.181 6.058 1.00 6.96 H new ATOM 554 N VAL A 240 27.016 -0.030 4.612 1.00 5.58 N ATOM 555 CA VAL A 240 28.103 0.800 4.111 1.00 6.19 C ATOM 556 C VAL A 240 29.045 1.223 5.236 1.00 7.44 C ATOM 557 O VAL A 240 28.774 2.256 5.886 1.00 7.88 O ATOM 558 CB VAL A 240 27.557 2.049 3.392 1.00 5.82 C ATOM 559 CG1 VAL A 240 27.065 1.681 2.003 1.00 4.89 C ATOM 560 CG2 VAL A 240 26.439 2.687 4.203 1.00 5.70 C ATOM 561 OXT VAL A 240 30.049 0.516 5.460 1.00 8.12 O ATOM 0 H VAL A 240 26.225 0.494 4.987 1.00 5.58 H new ATOM 0 HA VAL A 240 28.665 0.198 3.397 1.00 6.19 H new ATOM 0 HB VAL A 240 28.364 2.775 3.295 1.00 5.82 H new ATOM 0 HG11 VAL A 240 26.682 2.572 1.505 1.00 4.89 H new ATOM 0 HG12 VAL A 240 27.890 1.267 1.423 1.00 4.89 H new ATOM 0 HG13 VAL A 240 26.270 0.940 2.083 1.00 4.89 H new ATOM 0 HG21 VAL A 240 26.066 3.567 3.679 1.00 5.70 H new ATOM 0 HG22 VAL A 240 25.628 1.970 4.331 1.00 5.70 H new ATOM 0 HG23 VAL A 240 26.821 2.981 5.181 1.00 5.70 H new TER 571 VAL A 240