USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 293 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 209 ASN :FLIP amide:sc= -0.493 F(o=-1.4!,f=-0.49) 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 -64:sc= 0.495 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 161:sc= -0.103 (180deg=-0.577) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -33.566 -1.142 3.929 1.00 11.27 N ATOM 2 CA GLY A 204 -33.652 -0.096 4.987 1.00 10.74 C ATOM 3 C GLY A 204 -32.379 0.012 5.803 1.00 10.08 C ATOM 4 O GLY A 204 -32.380 0.572 6.899 1.00 10.33 O ATOM 0 HA2 GLY A 204 -33.866 0.867 4.524 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -34.487 -0.323 5.650 1.00 10.74 H new ATOM 10 N SER A 205 -31.288 -0.527 5.266 1.00 9.44 N ATOM 11 CA SER A 205 -29.999 -0.490 5.947 1.00 8.98 C ATOM 12 C SER A 205 -29.464 0.936 6.020 1.00 8.39 C ATOM 13 O SER A 205 -29.850 1.794 5.225 1.00 8.34 O ATOM 14 CB SER A 205 -28.995 -1.389 5.224 1.00 9.23 C ATOM 15 OG SER A 205 -29.449 -2.730 5.183 1.00 10.03 O ATOM 0 H SER A 205 -31.272 -0.995 4.360 1.00 9.44 H new ATOM 0 HA SER A 205 -30.140 -0.857 6.964 1.00 8.98 H new ATOM 0 HB2 SER A 205 -28.840 -1.023 4.209 1.00 9.23 H new ATOM 0 HB3 SER A 205 -28.031 -1.343 5.730 1.00 9.23 H new ATOM 0 HG SER A 205 -28.790 -3.284 4.714 1.00 10.03 H new ATOM 21 N PHE A 206 -28.572 1.183 6.975 1.00 8.19 N ATOM 22 CA PHE A 206 -27.984 2.508 7.148 1.00 7.85 C ATOM 23 C PHE A 206 -26.592 2.574 6.529 1.00 7.28 C ATOM 24 O PHE A 206 -25.685 1.851 6.942 1.00 7.58 O ATOM 25 CB PHE A 206 -27.910 2.869 8.633 1.00 8.48 C ATOM 26 CG PHE A 206 -29.252 2.920 9.306 1.00 8.90 C ATOM 27 CD1 PHE A 206 -30.123 3.968 9.065 1.00 9.52 C ATOM 28 CD2 PHE A 206 -29.641 1.917 10.180 1.00 8.94 C ATOM 29 CE1 PHE A 206 -31.359 4.017 9.682 1.00 10.16 C ATOM 30 CE2 PHE A 206 -30.876 1.959 10.801 1.00 9.58 C ATOM 31 CZ PHE A 206 -31.733 3.020 10.556 1.00 10.18 C ATOM 0 H PHE A 206 -28.241 0.484 7.640 1.00 8.19 H new ATOM 0 HA PHE A 206 -28.624 3.228 6.637 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -27.283 2.139 9.145 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -27.422 3.838 8.739 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -29.834 4.757 8.387 1.00 9.52 H new ATOM 0 HD2 PHE A 206 -28.972 1.093 10.378 1.00 8.94 H new ATOM 0 HE1 PHE A 206 -32.032 4.837 9.479 1.00 10.16 H new ATOM 0 HE2 PHE A 206 -31.171 1.168 11.474 1.00 9.58 H new ATOM 0 HZ PHE A 206 -32.693 3.065 11.049 1.00 10.18 H new ATOM 41 N THR A 207 -26.433 3.451 5.540 1.00 6.75 N ATOM 42 CA THR A 207 -25.155 3.626 4.856 1.00 6.52 C ATOM 43 C THR A 207 -24.695 2.324 4.200 1.00 5.52 C ATOM 44 O THR A 207 -25.024 2.053 3.046 1.00 5.53 O ATOM 45 CB THR A 207 -24.063 4.129 5.821 1.00 7.16 C ATOM 46 OG1 THR A 207 -24.534 5.275 6.539 1.00 7.94 O ATOM 47 CG2 THR A 207 -22.797 4.490 5.062 1.00 7.52 C ATOM 0 H THR A 207 -27.179 4.055 5.193 1.00 6.75 H new ATOM 0 HA THR A 207 -25.311 4.377 4.082 1.00 6.52 H new ATOM 0 HB THR A 207 -23.833 3.328 6.524 1.00 7.16 H new ATOM 0 HG1 THR A 207 -23.835 5.587 7.151 1.00 7.94 H new ATOM 0 HG21 THR A 207 -22.040 4.842 5.763 1.00 7.52 H new ATOM 0 HG22 THR A 207 -22.424 3.610 4.537 1.00 7.52 H new ATOM 0 HG23 THR A 207 -23.017 5.277 4.340 1.00 7.52 H new ATOM 55 N MET A 208 -23.934 1.523 4.946 1.00 4.97 N ATOM 56 CA MET A 208 -23.427 0.250 4.442 1.00 4.29 C ATOM 57 C MET A 208 -22.667 0.434 3.129 1.00 3.61 C ATOM 58 O MET A 208 -22.856 -0.328 2.181 1.00 3.96 O ATOM 59 CB MET A 208 -24.578 -0.740 4.246 1.00 4.65 C ATOM 60 CG MET A 208 -25.383 -0.995 5.510 1.00 5.27 C ATOM 61 SD MET A 208 -24.374 -1.640 6.858 1.00 5.92 S ATOM 62 CE MET A 208 -25.582 -1.719 8.180 1.00 6.74 C ATOM 0 H MET A 208 -23.655 1.736 5.904 1.00 4.97 H new ATOM 0 HA MET A 208 -22.733 -0.148 5.182 1.00 4.29 H new ATOM 0 HB2 MET A 208 -25.244 -0.361 3.471 1.00 4.65 H new ATOM 0 HB3 MET A 208 -24.175 -1.686 3.885 1.00 4.65 H new ATOM 0 HG2 MET A 208 -25.856 -0.066 5.828 1.00 5.27 H new ATOM 0 HG3 MET A 208 -26.183 -1.702 5.290 1.00 5.27 H new ATOM 0 HE1 MET A 208 -25.108 -2.101 9.084 1.00 6.74 H new ATOM 0 HE2 MET A 208 -25.978 -0.722 8.371 1.00 6.74 H new ATOM 0 HE3 MET A 208 -26.396 -2.383 7.890 1.00 6.74 H new ATOM 72 N ASN A 209 -21.810 1.450 3.078 1.00 3.19 N ATOM 73 CA ASN A 209 -21.023 1.722 1.880 1.00 3.10 C ATOM 74 C ASN A 209 -19.997 0.618 1.644 1.00 2.76 C ATOM 75 O ASN A 209 -19.071 0.439 2.436 1.00 3.19 O ATOM 76 CB ASN A 209 -20.316 3.075 1.998 1.00 3.66 C ATOM 77 CG ASN A 209 -21.288 4.239 2.060 1.00 4.37 C ATOM 78 OD1 ASN A 209 -22.438 4.090 1.414 1.00 4.83 O flip ATOM 79 ND2 ASN A 209 -21.004 5.264 2.680 1.00 4.91 N flip ATOM 0 H ASN A 209 -21.643 2.096 3.849 1.00 3.19 H new ATOM 0 HA ASN A 209 -21.704 1.752 1.029 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -19.693 3.078 2.893 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -19.650 3.208 1.146 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -20.108 5.336 3.163 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -21.664 6.041 2.711 1.00 4.91 H new ATOM 86 N ASP A 210 -20.168 -0.118 0.551 1.00 2.20 N ATOM 87 CA ASP A 210 -19.263 -1.208 0.207 1.00 1.85 C ATOM 88 C ASP A 210 -17.980 -0.684 -0.425 1.00 1.67 C ATOM 89 O ASP A 210 -16.994 -1.412 -0.545 1.00 1.70 O ATOM 90 CB ASP A 210 -19.953 -2.173 -0.754 1.00 1.87 C ATOM 91 CG ASP A 210 -21.001 -3.027 -0.067 1.00 2.29 C ATOM 92 OD1 ASP A 210 -22.172 -2.598 -0.011 1.00 2.79 O ATOM 93 OD2 ASP A 210 -20.649 -4.125 0.414 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.929 0.022 -0.114 1.00 2.20 H new ATOM 0 HA ASP A 210 -19.001 -1.731 1.127 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -20.421 -1.606 -1.559 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -19.206 -2.820 -1.213 1.00 1.87 H new ATOM 98 N THR A 211 -18.002 0.576 -0.837 1.00 1.54 N ATOM 99 CA THR A 211 -16.841 1.200 -1.457 1.00 1.39 C ATOM 100 C THR A 211 -15.616 1.114 -0.552 1.00 1.19 C ATOM 101 O THR A 211 -14.555 0.650 -0.970 1.00 1.05 O ATOM 102 CB THR A 211 -17.116 2.679 -1.794 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.232 2.779 -2.685 1.00 1.62 O ATOM 104 CG2 THR A 211 -15.897 3.331 -2.429 1.00 1.34 C ATOM 0 H THR A 211 -18.814 1.188 -0.753 1.00 1.54 H new ATOM 0 HA THR A 211 -16.642 0.653 -2.379 1.00 1.39 H new ATOM 0 HB THR A 211 -17.343 3.201 -0.864 1.00 1.44 H new ATOM 0 HG1 THR A 211 -18.401 3.722 -2.893 1.00 1.62 H new ATOM 0 HG21 THR A 211 -16.119 4.374 -2.656 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.056 3.282 -1.737 1.00 1.34 H new ATOM 0 HG23 THR A 211 -15.641 2.806 -3.349 1.00 1.34 H new ATOM 112 N THR A 212 -15.776 1.558 0.694 1.00 1.20 N ATOM 113 CA THR A 212 -14.685 1.548 1.666 1.00 1.06 C ATOM 114 C THR A 212 -14.045 0.167 1.789 1.00 0.95 C ATOM 115 O THR A 212 -12.863 0.053 2.117 1.00 0.80 O ATOM 116 CB THR A 212 -15.174 1.998 3.055 1.00 1.16 C ATOM 117 OG1 THR A 212 -15.830 3.268 2.956 1.00 1.30 O ATOM 118 CG2 THR A 212 -14.013 2.102 4.034 1.00 1.05 C ATOM 0 H THR A 212 -16.654 1.930 1.055 1.00 1.20 H new ATOM 0 HA THR A 212 -13.937 2.250 1.298 1.00 1.06 H new ATOM 0 HB THR A 212 -15.876 1.251 3.425 1.00 1.16 H new ATOM 0 HG1 THR A 212 -16.140 3.546 3.843 1.00 1.30 H new ATOM 0 HG21 THR A 212 -14.385 2.422 5.007 1.00 1.05 H new ATOM 0 HG22 THR A 212 -13.531 1.129 4.131 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.290 2.830 3.665 1.00 1.05 H new ATOM 126 N VAL A 213 -14.826 -0.879 1.529 1.00 1.07 N ATOM 127 CA VAL A 213 -14.319 -2.244 1.618 1.00 1.04 C ATOM 128 C VAL A 213 -13.071 -2.420 0.758 1.00 0.87 C ATOM 129 O VAL A 213 -12.120 -3.094 1.155 1.00 0.79 O ATOM 130 CB VAL A 213 -15.383 -3.271 1.181 1.00 1.21 C ATOM 131 CG1 VAL A 213 -14.854 -4.691 1.331 1.00 1.21 C ATOM 132 CG2 VAL A 213 -16.663 -3.086 1.982 1.00 1.41 C ATOM 0 H VAL A 213 -15.806 -0.808 1.257 1.00 1.07 H new ATOM 0 HA VAL A 213 -14.066 -2.422 2.663 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.610 -3.103 0.128 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -15.620 -5.400 1.017 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -13.967 -4.817 0.709 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -14.595 -4.875 2.374 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -17.403 -3.819 1.660 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -16.452 -3.225 3.042 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -17.053 -2.081 1.818 1.00 1.41 H new ATOM 142 N TRP A 214 -13.082 -1.805 -0.420 1.00 0.85 N ATOM 143 CA TRP A 214 -11.953 -1.887 -1.338 1.00 0.74 C ATOM 144 C TRP A 214 -10.882 -0.860 -0.979 1.00 0.59 C ATOM 145 O TRP A 214 -9.710 -1.040 -1.305 1.00 0.51 O ATOM 146 CB TRP A 214 -12.420 -1.676 -2.778 1.00 0.83 C ATOM 147 CG TRP A 214 -13.435 -2.684 -3.226 1.00 1.03 C ATOM 148 CD1 TRP A 214 -14.779 -2.654 -2.989 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.187 -3.871 -3.986 1.00 1.11 C ATOM 150 NE1 TRP A 214 -15.383 -3.750 -3.557 1.00 1.37 N ATOM 151 CE2 TRP A 214 -14.425 -4.512 -4.175 1.00 1.31 C ATOM 152 CE3 TRP A 214 -12.037 -4.454 -4.527 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -14.547 -5.707 -4.880 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -12.159 -5.639 -5.228 1.00 1.26 C ATOM 155 CH2 TRP A 214 -13.406 -6.255 -5.399 1.00 1.42 C ATOM 0 H TRP A 214 -13.862 -1.243 -0.761 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.518 -2.883 -1.249 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -12.845 -0.677 -2.872 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.557 -1.720 -3.443 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.293 -1.882 -2.436 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -16.380 -3.962 -3.524 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.071 -3.987 -4.400 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -15.507 -6.184 -5.012 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -11.278 -6.098 -5.651 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -13.468 -7.181 -5.952 1.00 1.42 H new ATOM 166 N ILE A 215 -11.291 0.221 -0.315 1.00 0.61 N ATOM 167 CA ILE A 215 -10.354 1.266 0.088 1.00 0.53 C ATOM 168 C ILE A 215 -9.234 0.680 0.941 1.00 0.42 C ATOM 169 O ILE A 215 -8.067 1.032 0.772 1.00 0.33 O ATOM 170 CB ILE A 215 -11.065 2.408 0.854 1.00 0.64 C ATOM 171 CG1 ILE A 215 -11.615 3.448 -0.128 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.124 3.072 1.854 1.00 0.60 C ATOM 173 CD1 ILE A 215 -12.652 2.902 -1.083 1.00 0.91 C ATOM 0 H ILE A 215 -12.260 0.394 -0.047 1.00 0.61 H new ATOM 0 HA ILE A 215 -9.926 1.689 -0.821 1.00 0.53 H new ATOM 0 HB ILE A 215 -11.895 1.972 1.410 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.053 4.270 0.437 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -10.788 3.862 -0.704 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -10.652 3.870 2.376 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -9.779 2.332 2.576 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.267 3.490 1.325 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -12.992 3.698 -1.745 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.214 2.099 -1.676 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.499 2.514 -0.517 1.00 0.91 H new ATOM 185 N SER A 216 -9.595 -0.216 1.857 1.00 0.46 N ATOM 186 CA SER A 216 -8.608 -0.857 2.715 1.00 0.40 C ATOM 187 C SER A 216 -7.575 -1.566 1.853 1.00 0.29 C ATOM 188 O SER A 216 -6.389 -1.613 2.181 1.00 0.24 O ATOM 189 CB SER A 216 -9.283 -1.856 3.659 1.00 0.49 C ATOM 190 OG SER A 216 -9.953 -2.870 2.933 1.00 1.35 O ATOM 0 H SER A 216 -10.557 -0.511 2.022 1.00 0.46 H new ATOM 0 HA SER A 216 -8.115 -0.096 3.320 1.00 0.40 H new ATOM 0 HB2 SER A 216 -8.536 -2.306 4.313 1.00 0.49 H new ATOM 0 HB3 SER A 216 -9.993 -1.333 4.299 1.00 0.49 H new ATOM 0 HG SER A 216 -10.678 -2.472 2.408 1.00 1.35 H new ATOM 196 N VAL A 217 -8.048 -2.111 0.736 1.00 0.31 N ATOM 197 CA VAL A 217 -7.190 -2.802 -0.208 1.00 0.26 C ATOM 198 C VAL A 217 -6.375 -1.794 -1.008 1.00 0.19 C ATOM 199 O VAL A 217 -5.237 -2.059 -1.395 1.00 0.19 O ATOM 200 CB VAL A 217 -8.019 -3.665 -1.176 1.00 0.38 C ATOM 201 CG1 VAL A 217 -7.118 -4.361 -2.181 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.857 -4.672 -0.403 1.00 0.48 C ATOM 0 H VAL A 217 -9.031 -2.084 0.465 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.521 -3.451 0.358 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.695 -3.014 -1.729 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.724 -4.966 -2.856 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.570 -3.615 -2.756 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.412 -5.003 -1.654 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.438 -5.275 -1.101 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -8.202 -5.321 0.178 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.533 -4.143 0.269 1.00 0.48 H new ATOM 212 N ALA A 218 -6.976 -0.633 -1.244 1.00 0.21 N ATOM 213 CA ALA A 218 -6.325 0.433 -1.989 1.00 0.21 C ATOM 214 C ALA A 218 -5.047 0.868 -1.292 1.00 0.14 C ATOM 215 O ALA A 218 -4.024 1.109 -1.934 1.00 0.18 O ATOM 216 CB ALA A 218 -7.270 1.618 -2.134 1.00 0.27 C ATOM 0 H ALA A 218 -7.919 -0.408 -0.927 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.068 0.058 -2.980 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -6.775 2.412 -2.693 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.168 1.304 -2.667 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.545 1.987 -1.146 1.00 0.27 H new ATOM 222 N VAL A 219 -5.116 0.963 0.031 1.00 0.10 N ATOM 223 CA VAL A 219 -3.971 1.368 0.831 1.00 0.14 C ATOM 224 C VAL A 219 -2.842 0.352 0.710 1.00 0.17 C ATOM 225 O VAL A 219 -1.668 0.720 0.681 1.00 0.25 O ATOM 226 CB VAL A 219 -4.361 1.536 2.311 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.209 2.122 3.109 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.599 2.410 2.434 1.00 0.20 C ATOM 0 H VAL A 219 -5.957 0.764 0.572 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.627 2.329 0.450 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.589 0.552 2.721 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.507 2.232 4.152 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.348 1.457 3.046 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.944 3.098 2.703 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.863 2.520 3.486 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.395 3.392 2.006 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.427 1.945 1.898 1.00 0.20 H new ATOM 238 N LEU A 220 -3.203 -0.929 0.642 1.00 0.15 N ATOM 239 CA LEU A 220 -2.211 -1.992 0.508 1.00 0.20 C ATOM 240 C LEU A 220 -1.373 -1.765 -0.735 1.00 0.21 C ATOM 241 O LEU A 220 -0.156 -1.954 -0.723 1.00 0.26 O ATOM 242 CB LEU A 220 -2.890 -3.359 0.427 1.00 0.20 C ATOM 243 CG LEU A 220 -4.048 -3.562 1.397 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.591 -4.978 1.292 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.608 -3.259 2.823 1.00 0.27 C ATOM 0 H LEU A 220 -4.169 -1.253 0.677 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.568 -1.973 1.388 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.257 -3.506 -0.589 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.142 -4.131 0.611 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.847 -2.870 1.130 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.417 -5.104 1.992 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -4.945 -5.158 0.277 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -3.801 -5.689 1.532 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.447 -3.409 3.502 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.792 -3.926 3.101 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.270 -2.225 2.887 1.00 0.27 H new ATOM 257 N SER A 221 -2.039 -1.362 -1.810 1.00 0.20 N ATOM 258 CA SER A 221 -1.358 -1.085 -3.069 1.00 0.25 C ATOM 259 C SER A 221 -0.236 -0.083 -2.837 1.00 0.28 C ATOM 260 O SER A 221 0.829 -0.167 -3.448 1.00 0.33 O ATOM 261 CB SER A 221 -2.342 -0.543 -4.107 1.00 0.27 C ATOM 262 OG SER A 221 -1.692 -0.284 -5.340 1.00 1.14 O ATOM 0 H SER A 221 -3.049 -1.220 -1.836 1.00 0.20 H new ATOM 0 HA SER A 221 -0.936 -2.015 -3.450 1.00 0.25 H new ATOM 0 HB2 SER A 221 -3.146 -1.262 -4.260 1.00 0.27 H new ATOM 0 HB3 SER A 221 -2.800 0.373 -3.735 1.00 0.27 H new ATOM 0 HG SER A 221 -2.343 0.060 -5.987 1.00 1.14 H new ATOM 268 N ALA A 222 -0.493 0.879 -1.958 1.00 0.28 N ATOM 269 CA ALA A 222 0.499 1.884 -1.614 1.00 0.32 C ATOM 270 C ALA A 222 1.596 1.272 -0.748 1.00 0.35 C ATOM 271 O ALA A 222 2.777 1.566 -0.922 1.00 0.38 O ATOM 272 CB ALA A 222 -0.157 3.054 -0.893 1.00 0.33 C ATOM 0 H ALA A 222 -1.383 0.982 -1.471 1.00 0.28 H new ATOM 0 HA ALA A 222 0.950 2.255 -2.534 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.600 3.797 -0.643 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -0.909 3.505 -1.541 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.632 2.698 0.021 1.00 0.33 H new ATOM 278 N VAL A 223 1.189 0.406 0.180 1.00 0.35 N ATOM 279 CA VAL A 223 2.123 -0.250 1.090 1.00 0.39 C ATOM 280 C VAL A 223 3.199 -1.027 0.332 1.00 0.40 C ATOM 281 O VAL A 223 4.391 -0.831 0.568 1.00 0.42 O ATOM 282 CB VAL A 223 1.393 -1.200 2.063 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.395 -1.961 2.920 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.425 -0.422 2.941 1.00 0.39 C ATOM 0 H VAL A 223 0.214 0.143 0.320 1.00 0.35 H new ATOM 0 HA VAL A 223 2.603 0.542 1.664 1.00 0.39 H new ATOM 0 HB VAL A 223 0.824 -1.921 1.477 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.862 -2.626 3.600 1.00 0.49 H new ATOM 0 HG12 VAL A 223 3.051 -2.549 2.278 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.991 -1.254 3.497 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.081 -1.107 3.621 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.975 0.322 3.518 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.313 0.078 2.314 1.00 0.39 H new ATOM 294 N ILE A 224 2.780 -1.911 -0.571 1.00 0.40 N ATOM 295 CA ILE A 224 3.730 -2.698 -1.350 1.00 0.42 C ATOM 296 C ILE A 224 4.691 -1.783 -2.100 1.00 0.39 C ATOM 297 O ILE A 224 5.857 -2.118 -2.303 1.00 0.39 O ATOM 298 CB ILE A 224 3.018 -3.640 -2.346 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.085 -2.853 -3.267 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.243 -4.713 -1.597 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.725 -2.443 -4.577 1.00 0.46 C ATOM 0 H ILE A 224 1.799 -2.098 -0.779 1.00 0.40 H new ATOM 0 HA ILE A 224 4.291 -3.315 -0.648 1.00 0.42 H new ATOM 0 HB ILE A 224 3.777 -4.123 -2.962 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.202 -3.457 -3.478 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.743 -1.960 -2.745 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.747 -5.369 -2.312 1.00 0.51 H new ATOM 0 HG22 ILE A 224 2.930 -5.297 -0.984 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.496 -4.243 -0.957 1.00 0.51 H new ATOM 0 HD11 ILE A 224 2.003 -1.889 -5.177 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.591 -1.812 -4.377 1.00 0.46 H new ATOM 0 HD13 ILE A 224 3.042 -3.333 -5.121 1.00 0.46 H new ATOM 313 N CYS A 225 4.186 -0.630 -2.522 1.00 0.38 N ATOM 314 CA CYS A 225 5.001 0.349 -3.229 1.00 0.36 C ATOM 315 C CYS A 225 6.053 0.937 -2.294 1.00 0.34 C ATOM 316 O CYS A 225 7.172 1.239 -2.705 1.00 0.34 O ATOM 317 CB CYS A 225 4.123 1.470 -3.786 1.00 0.36 C ATOM 318 SG CYS A 225 4.998 2.625 -4.867 1.00 1.36 S ATOM 0 H CYS A 225 3.215 -0.350 -2.386 1.00 0.38 H new ATOM 0 HA CYS A 225 5.501 -0.154 -4.056 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.295 1.027 -4.340 1.00 0.36 H new ATOM 0 HB3 CYS A 225 3.690 2.025 -2.954 1.00 0.36 H new ATOM 0 HG CYS A 225 4.171 3.535 -5.289 1.00 1.36 H new ATOM 324 N LEU A 226 5.673 1.092 -1.026 1.00 0.35 N ATOM 325 CA LEU A 226 6.558 1.657 -0.012 1.00 0.35 C ATOM 326 C LEU A 226 7.730 0.733 0.311 1.00 0.31 C ATOM 327 O LEU A 226 8.881 1.169 0.320 1.00 0.29 O ATOM 328 CB LEU A 226 5.766 1.958 1.264 1.00 0.40 C ATOM 329 CG LEU A 226 5.280 3.404 1.403 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.401 3.798 0.224 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.527 3.585 2.712 1.00 0.51 C ATOM 0 H LEU A 226 4.751 0.832 -0.676 1.00 0.35 H new ATOM 0 HA LEU A 226 6.971 2.580 -0.418 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.901 1.296 1.301 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.389 1.716 2.125 1.00 0.40 H new ATOM 0 HG LEU A 226 6.152 4.058 1.408 1.00 0.46 H new ATOM 0 HD11 LEU A 226 4.069 4.829 0.346 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.971 3.708 -0.701 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.533 3.140 0.181 1.00 0.44 H new ATOM 0 HD21 LEU A 226 4.188 4.617 2.797 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.666 2.917 2.732 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.187 3.350 3.547 1.00 0.51 H new ATOM 343 N ILE A 227 7.438 -0.536 0.581 1.00 0.33 N ATOM 344 CA ILE A 227 8.484 -1.499 0.911 1.00 0.31 C ATOM 345 C ILE A 227 9.572 -1.527 -0.156 1.00 0.25 C ATOM 346 O ILE A 227 10.749 -1.697 0.155 1.00 0.22 O ATOM 347 CB ILE A 227 7.931 -2.925 1.115 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.267 -3.442 -0.159 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.953 -2.946 2.277 1.00 0.45 C ATOM 350 CD1 ILE A 227 7.457 -4.927 -0.374 1.00 0.46 C ATOM 0 H ILE A 227 6.493 -0.920 0.578 1.00 0.33 H new ATOM 0 HA ILE A 227 8.913 -1.163 1.855 1.00 0.31 H new ATOM 0 HB ILE A 227 8.765 -3.587 1.348 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.200 -3.221 -0.119 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.672 -2.903 -1.016 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.569 -3.957 2.411 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.462 -2.627 3.187 1.00 0.45 H new ATOM 0 HG23 ILE A 227 6.125 -2.269 2.068 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.960 -5.228 -1.296 1.00 0.46 H new ATOM 0 HD12 ILE A 227 8.521 -5.151 -0.445 1.00 0.46 H new ATOM 0 HD13 ILE A 227 7.027 -5.474 0.465 1.00 0.46 H new ATOM 362 N ILE A 228 9.174 -1.366 -1.414 1.00 0.24 N ATOM 363 CA ILE A 228 10.126 -1.373 -2.517 1.00 0.21 C ATOM 364 C ILE A 228 11.048 -0.164 -2.422 1.00 0.17 C ATOM 365 O ILE A 228 12.241 -0.251 -2.710 1.00 0.17 O ATOM 366 CB ILE A 228 9.409 -1.364 -3.883 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.465 -2.563 -3.992 1.00 0.29 C ATOM 368 CG2 ILE A 228 10.425 -1.379 -5.017 1.00 0.27 C ATOM 369 CD1 ILE A 228 7.483 -2.461 -5.139 1.00 0.36 C ATOM 0 H ILE A 228 8.203 -1.230 -1.693 1.00 0.24 H new ATOM 0 HA ILE A 228 10.711 -2.290 -2.442 1.00 0.21 H new ATOM 0 HB ILE A 228 8.820 -0.450 -3.962 1.00 0.26 H new ATOM 0 HG12 ILE A 228 9.057 -3.471 -4.111 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.911 -2.664 -3.059 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.903 -1.372 -5.974 1.00 0.27 H new ATOM 0 HG22 ILE A 228 11.063 -0.498 -4.946 1.00 0.27 H new ATOM 0 HG23 ILE A 228 11.038 -2.277 -4.944 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.847 -3.346 -5.153 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.865 -1.572 -5.011 1.00 0.36 H new ATOM 0 HD13 ILE A 228 8.029 -2.391 -6.080 1.00 0.36 H new ATOM 381 N VAL A 229 10.477 0.964 -2.013 1.00 0.17 N ATOM 382 CA VAL A 229 11.234 2.198 -1.862 1.00 0.18 C ATOM 383 C VAL A 229 12.372 2.014 -0.864 1.00 0.14 C ATOM 384 O VAL A 229 13.506 2.423 -1.119 1.00 0.17 O ATOM 385 CB VAL A 229 10.320 3.347 -1.392 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.136 4.587 -1.055 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.278 3.662 -2.455 1.00 0.30 C ATOM 0 H VAL A 229 9.488 1.047 -1.780 1.00 0.17 H new ATOM 0 HA VAL A 229 11.651 2.452 -2.836 1.00 0.18 H new ATOM 0 HB VAL A 229 9.806 3.027 -0.486 1.00 0.24 H new ATOM 0 HG11 VAL A 229 10.469 5.383 -0.726 1.00 0.27 H new ATOM 0 HG12 VAL A 229 11.842 4.353 -0.258 1.00 0.27 H new ATOM 0 HG13 VAL A 229 11.683 4.914 -1.939 1.00 0.27 H new ATOM 0 HG21 VAL A 229 8.640 4.475 -2.109 1.00 0.30 H new ATOM 0 HG22 VAL A 229 9.777 3.960 -3.377 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.669 2.777 -2.641 1.00 0.30 H new ATOM 397 N TRP A 230 12.063 1.397 0.271 1.00 0.14 N ATOM 398 CA TRP A 230 13.061 1.152 1.303 1.00 0.16 C ATOM 399 C TRP A 230 14.023 0.064 0.855 1.00 0.12 C ATOM 400 O TRP A 230 15.229 0.165 1.052 1.00 0.17 O ATOM 401 CB TRP A 230 12.391 0.751 2.618 1.00 0.24 C ATOM 402 CG TRP A 230 11.882 1.917 3.406 1.00 0.32 C ATOM 403 CD1 TRP A 230 12.624 2.928 3.948 1.00 0.35 C ATOM 404 CD2 TRP A 230 10.521 2.189 3.749 1.00 0.40 C ATOM 405 NE1 TRP A 230 11.805 3.816 4.600 1.00 0.43 N ATOM 406 CE2 TRP A 230 10.508 3.383 4.494 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.311 1.541 3.495 1.00 0.44 C ATOM 408 CZ2 TRP A 230 9.331 3.941 4.987 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.143 2.093 3.986 1.00 0.54 C ATOM 410 CH2 TRP A 230 8.160 3.282 4.723 1.00 0.59 C ATOM 0 H TRP A 230 11.129 1.058 0.499 1.00 0.14 H new ATOM 0 HA TRP A 230 13.619 2.074 1.466 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.562 0.077 2.404 1.00 0.24 H new ATOM 0 HB3 TRP A 230 13.105 0.195 3.226 1.00 0.24 H new ATOM 0 HD1 TRP A 230 13.698 3.016 3.874 1.00 0.35 H new ATOM 0 HE1 TRP A 230 12.111 4.660 5.084 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.288 0.624 2.925 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 9.341 4.859 5.556 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.202 1.598 3.798 1.00 0.54 H new ATOM 0 HH2 TRP A 230 7.230 3.689 5.092 1.00 0.59 H new ATOM 421 N ALA A 231 13.472 -0.971 0.241 1.00 0.11 N ATOM 422 CA ALA A 231 14.265 -2.093 -0.244 1.00 0.16 C ATOM 423 C ALA A 231 15.216 -1.660 -1.354 1.00 0.20 C ATOM 424 O ALA A 231 16.065 -2.433 -1.794 1.00 0.29 O ATOM 425 CB ALA A 231 13.344 -3.195 -0.735 1.00 0.20 C ATOM 0 H ALA A 231 12.471 -1.059 0.065 1.00 0.11 H new ATOM 0 HA ALA A 231 14.870 -2.469 0.581 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.940 -4.033 -1.097 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.708 -3.530 0.084 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.722 -2.815 -1.545 1.00 0.20 H new ATOM 431 N VAL A 232 15.056 -0.423 -1.809 1.00 0.21 N ATOM 432 CA VAL A 232 15.906 0.127 -2.857 1.00 0.33 C ATOM 433 C VAL A 232 16.670 1.336 -2.325 1.00 0.39 C ATOM 434 O VAL A 232 17.502 1.933 -3.011 1.00 0.50 O ATOM 435 CB VAL A 232 15.081 0.502 -4.105 1.00 0.37 C ATOM 436 CG1 VAL A 232 15.921 1.274 -5.113 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.509 -0.756 -4.737 1.00 0.37 C ATOM 0 H VAL A 232 14.342 0.220 -1.467 1.00 0.21 H new ATOM 0 HA VAL A 232 16.623 -0.637 -3.157 1.00 0.33 H new ATOM 0 HB VAL A 232 14.263 1.152 -3.795 1.00 0.37 H new ATOM 0 HG11 VAL A 232 15.310 1.523 -5.981 1.00 0.51 H new ATOM 0 HG12 VAL A 232 16.289 2.191 -4.653 1.00 0.51 H new ATOM 0 HG13 VAL A 232 16.766 0.661 -5.428 1.00 0.51 H new ATOM 0 HG21 VAL A 232 13.927 -0.488 -5.618 1.00 0.37 H new ATOM 0 HG22 VAL A 232 15.323 -1.420 -5.028 1.00 0.37 H new ATOM 0 HG23 VAL A 232 13.866 -1.264 -4.018 1.00 0.37 H new ATOM 447 N ALA A 233 16.409 1.658 -1.067 1.00 0.33 N ATOM 448 CA ALA A 233 17.075 2.763 -0.404 1.00 0.41 C ATOM 449 C ALA A 233 17.860 2.209 0.773 1.00 0.44 C ATOM 450 O ALA A 233 18.533 2.933 1.505 1.00 0.52 O ATOM 451 CB ALA A 233 16.070 3.806 0.057 1.00 0.37 C ATOM 0 H ALA A 233 15.735 1.164 -0.483 1.00 0.33 H new ATOM 0 HA ALA A 233 17.752 3.257 -1.101 1.00 0.41 H new ATOM 0 HB1 ALA A 233 16.595 4.624 0.551 1.00 0.37 H new ATOM 0 HB2 ALA A 233 15.525 4.192 -0.805 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.368 3.351 0.756 1.00 0.37 H new ATOM 457 N LEU A 234 17.725 0.898 0.941 1.00 0.39 N ATOM 458 CA LEU A 234 18.416 0.145 1.975 1.00 0.46 C ATOM 459 C LEU A 234 19.270 -0.912 1.289 1.00 0.53 C ATOM 460 O LEU A 234 19.851 -1.786 1.934 1.00 0.60 O ATOM 461 CB LEU A 234 17.412 -0.543 2.906 1.00 0.42 C ATOM 462 CG LEU A 234 16.857 0.302 4.056 1.00 0.43 C ATOM 463 CD1 LEU A 234 16.298 1.622 3.551 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.779 -0.479 4.791 1.00 0.45 C ATOM 0 H LEU A 234 17.123 0.322 0.352 1.00 0.39 H new ATOM 0 HA LEU A 234 19.030 0.819 2.572 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.573 -0.893 2.304 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.890 -1.426 3.331 1.00 0.42 H new ATOM 0 HG LEU A 234 17.674 0.527 4.742 1.00 0.43 H new ATOM 0 HD11 LEU A 234 15.912 2.199 4.391 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.088 2.186 3.056 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.492 1.429 2.843 1.00 0.39 H new ATOM 0 HD21 LEU A 234 15.386 0.125 5.609 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.972 -0.724 4.100 1.00 0.45 H new ATOM 0 HD23 LEU A 234 16.205 -1.399 5.191 1.00 0.45 H new ATOM 476 N LYS A 235 19.327 -0.811 -0.037 1.00 0.53 N ATOM 477 CA LYS A 235 20.061 -1.751 -0.861 1.00 0.61 C ATOM 478 C LYS A 235 21.227 -1.087 -1.585 1.00 0.74 C ATOM 479 O LYS A 235 22.174 -1.758 -1.997 1.00 0.82 O ATOM 480 CB LYS A 235 19.107 -2.370 -1.882 1.00 0.54 C ATOM 481 CG LYS A 235 18.893 -3.863 -1.717 1.00 0.55 C ATOM 482 CD LYS A 235 18.568 -4.232 -0.283 1.00 0.53 C ATOM 483 CE LYS A 235 17.347 -5.121 -0.207 1.00 0.49 C ATOM 484 NZ LYS A 235 17.221 -5.786 1.119 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.863 -0.072 -0.565 1.00 0.53 H new ATOM 0 HA LYS A 235 20.476 -2.521 -0.210 1.00 0.61 H new ATOM 0 HB2 LYS A 235 18.142 -1.867 -1.811 1.00 0.54 H new ATOM 0 HB3 LYS A 235 19.493 -2.179 -2.883 1.00 0.54 H new ATOM 0 HG2 LYS A 235 18.082 -4.188 -2.368 1.00 0.55 H new ATOM 0 HG3 LYS A 235 19.789 -4.396 -2.035 1.00 0.55 H new ATOM 0 HD2 LYS A 235 19.420 -4.742 0.165 1.00 0.53 H new ATOM 0 HD3 LYS A 235 18.397 -3.326 0.298 1.00 0.53 H new ATOM 0 HE2 LYS A 235 16.454 -4.527 -0.401 1.00 0.49 H new ATOM 0 HE3 LYS A 235 17.401 -5.879 -0.989 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 16.371 -6.385 1.127 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 18.061 -6.374 1.294 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 17.143 -5.064 1.863 1.00 0.56 H new ATOM 498 N GLY A 236 21.154 0.230 -1.740 1.00 1.13 N ATOM 499 CA GLY A 236 22.209 0.951 -2.431 1.00 1.30 C ATOM 500 C GLY A 236 22.400 2.361 -1.919 1.00 1.58 C ATOM 501 O GLY A 236 22.879 3.234 -2.642 1.00 1.97 O ATOM 0 H GLY A 236 20.387 0.810 -1.401 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.145 0.403 -2.325 1.00 1.30 H new ATOM 0 HA3 GLY A 236 21.979 0.986 -3.496 1.00 1.30 H new ATOM 505 N TYR A 237 22.023 2.583 -0.671 1.00 1.55 N ATOM 506 CA TYR A 237 22.156 3.897 -0.053 1.00 1.93 C ATOM 507 C TYR A 237 23.625 4.269 0.127 1.00 2.68 C ATOM 508 O TYR A 237 23.947 5.396 0.506 1.00 3.13 O ATOM 509 CB TYR A 237 21.440 3.925 1.300 1.00 1.48 C ATOM 510 CG TYR A 237 22.107 3.079 2.362 1.00 1.63 C ATOM 511 CD1 TYR A 237 21.884 1.710 2.431 1.00 2.15 C ATOM 512 CD2 TYR A 237 22.961 3.652 3.297 1.00 2.12 C ATOM 513 CE1 TYR A 237 22.491 0.936 3.401 1.00 2.91 C ATOM 514 CE2 TYR A 237 23.572 2.885 4.270 1.00 2.76 C ATOM 515 CZ TYR A 237 23.335 1.528 4.318 1.00 3.10 C ATOM 516 OH TYR A 237 23.941 0.760 5.285 1.00 4.00 O ATOM 0 H TYR A 237 21.621 1.870 -0.062 1.00 1.55 H new ATOM 0 HA TYR A 237 21.693 4.629 -0.715 1.00 1.93 H new ATOM 0 HB2 TYR A 237 21.386 4.956 1.651 1.00 1.48 H new ATOM 0 HB3 TYR A 237 20.415 3.580 1.165 1.00 1.48 H new ATOM 0 HD1 TYR A 237 21.225 1.243 1.714 1.00 2.15 H new ATOM 0 HD2 TYR A 237 23.150 4.715 3.262 1.00 2.12 H new ATOM 0 HE1 TYR A 237 22.306 -0.127 3.441 1.00 2.91 H new ATOM 0 HE2 TYR A 237 24.232 3.346 4.990 1.00 2.76 H new ATOM 0 HH TYR A 237 24.504 1.330 5.850 1.00 4.00 H new ATOM 526 N SER A 238 24.510 3.316 -0.146 1.00 3.04 N ATOM 527 CA SER A 238 25.945 3.542 -0.013 1.00 3.95 C ATOM 528 C SER A 238 26.519 4.183 -1.274 1.00 4.58 C ATOM 529 O SER A 238 27.395 5.045 -1.199 1.00 5.29 O ATOM 530 CB SER A 238 26.665 2.224 0.273 1.00 4.49 C ATOM 531 OG SER A 238 26.194 1.635 1.474 1.00 4.96 O ATOM 0 H SER A 238 24.259 2.379 -0.461 1.00 3.04 H new ATOM 0 HA SER A 238 26.101 4.225 0.822 1.00 3.95 H new ATOM 0 HB2 SER A 238 26.512 1.535 -0.558 1.00 4.49 H new ATOM 0 HB3 SER A 238 27.738 2.401 0.347 1.00 4.49 H new ATOM 0 HG SER A 238 26.669 0.793 1.633 1.00 4.96 H new ATOM 537 N MET A 239 26.019 3.756 -2.430 1.00 4.61 N ATOM 538 CA MET A 239 26.484 4.287 -3.707 1.00 5.54 C ATOM 539 C MET A 239 25.599 5.435 -4.180 1.00 5.88 C ATOM 540 O MET A 239 25.358 5.597 -5.377 1.00 6.64 O ATOM 541 CB MET A 239 26.509 3.183 -4.764 1.00 5.96 C ATOM 542 CG MET A 239 27.397 2.006 -4.394 1.00 6.04 C ATOM 543 SD MET A 239 27.399 0.712 -5.651 1.00 6.88 S ATOM 544 CE MET A 239 28.120 1.584 -7.039 1.00 6.96 C ATOM 0 H MET A 239 25.292 3.044 -2.509 1.00 4.61 H new ATOM 0 HA MET A 239 27.495 4.669 -3.562 1.00 5.54 H new ATOM 0 HB2 MET A 239 25.493 2.824 -4.926 1.00 5.96 H new ATOM 0 HB3 MET A 239 26.853 3.604 -5.709 1.00 5.96 H new ATOM 0 HG2 MET A 239 28.417 2.360 -4.241 1.00 6.04 H new ATOM 0 HG3 MET A 239 27.060 1.586 -3.446 1.00 6.04 H new ATOM 0 HE1 MET A 239 28.496 0.864 -7.765 1.00 6.96 H new ATOM 0 HE2 MET A 239 27.362 2.210 -7.509 1.00 6.96 H new ATOM 0 HE3 MET A 239 28.941 2.209 -6.689 1.00 6.96 H new ATOM 554 N VAL A 240 25.119 6.230 -3.232 1.00 5.58 N ATOM 555 CA VAL A 240 24.261 7.367 -3.545 1.00 6.19 C ATOM 556 C VAL A 240 25.045 8.481 -4.234 1.00 7.44 C ATOM 557 O VAL A 240 25.127 8.460 -5.480 1.00 7.88 O ATOM 558 CB VAL A 240 23.583 7.923 -2.277 1.00 5.82 C ATOM 559 CG1 VAL A 240 22.374 7.077 -1.905 1.00 4.89 C ATOM 560 CG2 VAL A 240 24.571 7.980 -1.122 1.00 5.70 C ATOM 561 OXT VAL A 240 25.570 9.367 -3.525 1.00 8.12 O ATOM 0 H VAL A 240 25.310 6.108 -2.237 1.00 5.58 H new ATOM 0 HA VAL A 240 23.491 7.006 -4.226 1.00 6.19 H new ATOM 0 HB VAL A 240 23.243 8.937 -2.486 1.00 5.82 H new ATOM 0 HG11 VAL A 240 21.908 7.484 -1.008 1.00 4.89 H new ATOM 0 HG12 VAL A 240 21.656 7.089 -2.725 1.00 4.89 H new ATOM 0 HG13 VAL A 240 22.692 6.052 -1.716 1.00 4.89 H new ATOM 0 HG21 VAL A 240 24.073 8.375 -0.236 1.00 5.70 H new ATOM 0 HG22 VAL A 240 24.943 6.977 -0.912 1.00 5.70 H new ATOM 0 HG23 VAL A 240 25.406 8.628 -1.389 1.00 5.70 H new TER 571 VAL A 240