USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=9 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 : amide:sc= -0.918 K(o=-0.92,f=-0.017) USER MOD Single : A 211 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0.00132 USER MOD Single : A 216 SER OG : rot -40:sc= 0.365 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 225 CYS SG : rot -23:sc= 0.0011 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 43:sc= 0.619 USER MOD Single : A 239 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -16.385 -11.054 10.098 1.00 11.27 N ATOM 2 CA GLY A 204 -16.184 -10.236 8.870 1.00 10.74 C ATOM 3 C GLY A 204 -17.238 -10.503 7.814 1.00 10.08 C ATOM 4 O GLY A 204 -17.017 -11.288 6.892 1.00 10.33 O ATOM 0 HA2 GLY A 204 -16.200 -9.179 9.135 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -15.198 -10.446 8.455 1.00 10.74 H new ATOM 10 N SER A 205 -18.388 -9.848 7.949 1.00 9.44 N ATOM 11 CA SER A 205 -19.482 -10.019 6.999 1.00 8.98 C ATOM 12 C SER A 205 -20.174 -8.689 6.721 1.00 8.39 C ATOM 13 O SER A 205 -20.528 -7.957 7.647 1.00 8.34 O ATOM 14 CB SER A 205 -20.497 -11.031 7.535 1.00 9.23 C ATOM 15 OG SER A 205 -19.893 -12.297 7.745 1.00 10.03 O ATOM 0 H SER A 205 -18.586 -9.194 8.707 1.00 9.44 H new ATOM 0 HA SER A 205 -19.063 -10.393 6.065 1.00 8.98 H new ATOM 0 HB2 SER A 205 -20.919 -10.666 8.471 1.00 9.23 H new ATOM 0 HB3 SER A 205 -21.323 -11.131 6.830 1.00 9.23 H new ATOM 0 HG SER A 205 -20.562 -12.925 8.089 1.00 10.03 H new ATOM 21 N PHE A 206 -20.363 -8.382 5.441 1.00 8.19 N ATOM 22 CA PHE A 206 -21.011 -7.137 5.040 1.00 7.85 C ATOM 23 C PHE A 206 -22.023 -7.383 3.924 1.00 7.28 C ATOM 24 O PHE A 206 -21.707 -8.007 2.912 1.00 7.58 O ATOM 25 CB PHE A 206 -19.967 -6.120 4.580 1.00 8.48 C ATOM 26 CG PHE A 206 -18.964 -5.764 5.640 1.00 8.90 C ATOM 27 CD1 PHE A 206 -19.216 -4.731 6.531 1.00 8.94 C ATOM 28 CD2 PHE A 206 -17.771 -6.459 5.745 1.00 9.52 C ATOM 29 CE1 PHE A 206 -18.295 -4.402 7.508 1.00 9.58 C ATOM 30 CE2 PHE A 206 -16.846 -6.133 6.719 1.00 10.16 C ATOM 31 CZ PHE A 206 -17.106 -5.105 7.600 1.00 10.18 C ATOM 0 H PHE A 206 -20.077 -8.978 4.664 1.00 8.19 H new ATOM 0 HA PHE A 206 -21.541 -6.739 5.905 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -19.440 -6.520 3.713 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -20.475 -5.213 4.254 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -20.141 -4.178 6.461 1.00 8.94 H new ATOM 0 HD2 PHE A 206 -17.561 -7.265 5.058 1.00 9.52 H new ATOM 0 HE1 PHE A 206 -18.503 -3.598 8.198 1.00 9.58 H new ATOM 0 HE2 PHE A 206 -15.920 -6.684 6.790 1.00 10.16 H new ATOM 0 HZ PHE A 206 -16.383 -4.849 8.361 1.00 10.18 H new ATOM 41 N THR A 207 -23.241 -6.885 4.119 1.00 6.75 N ATOM 42 CA THR A 207 -24.298 -7.048 3.130 1.00 6.52 C ATOM 43 C THR A 207 -24.476 -5.775 2.309 1.00 5.52 C ATOM 44 O THR A 207 -24.393 -4.667 2.842 1.00 5.53 O ATOM 45 CB THR A 207 -25.638 -7.410 3.799 1.00 7.16 C ATOM 46 OG1 THR A 207 -25.461 -8.530 4.674 1.00 7.94 O ATOM 47 CG2 THR A 207 -26.694 -7.743 2.755 1.00 7.52 C ATOM 0 H THR A 207 -23.519 -6.366 4.952 1.00 6.75 H new ATOM 0 HA THR A 207 -23.999 -7.863 2.471 1.00 6.52 H new ATOM 0 HB THR A 207 -25.975 -6.547 4.373 1.00 7.16 H new ATOM 0 HG1 THR A 207 -26.316 -8.753 5.097 1.00 7.94 H new ATOM 0 HG21 THR A 207 -27.631 -7.995 3.252 1.00 7.52 H new ATOM 0 HG22 THR A 207 -26.848 -6.881 2.106 1.00 7.52 H new ATOM 0 HG23 THR A 207 -26.360 -8.592 2.158 1.00 7.52 H new ATOM 55 N MET A 208 -24.721 -5.943 1.010 1.00 4.97 N ATOM 56 CA MET A 208 -24.909 -4.815 0.100 1.00 4.29 C ATOM 57 C MET A 208 -23.646 -3.963 0.009 1.00 3.61 C ATOM 58 O MET A 208 -22.853 -4.111 -0.921 1.00 3.96 O ATOM 59 CB MET A 208 -26.094 -3.951 0.545 1.00 4.65 C ATOM 60 CG MET A 208 -27.424 -4.686 0.532 1.00 5.27 C ATOM 61 SD MET A 208 -27.837 -5.351 -1.091 1.00 5.92 S ATOM 62 CE MET A 208 -29.394 -6.162 -0.737 1.00 6.74 C ATOM 0 H MET A 208 -24.794 -6.857 0.562 1.00 4.97 H new ATOM 0 HA MET A 208 -25.121 -5.221 -0.889 1.00 4.29 H new ATOM 0 HB2 MET A 208 -25.904 -3.580 1.552 1.00 4.65 H new ATOM 0 HB3 MET A 208 -26.163 -3.081 -0.108 1.00 4.65 H new ATOM 0 HG2 MET A 208 -27.391 -5.500 1.256 1.00 5.27 H new ATOM 0 HG3 MET A 208 -28.213 -4.006 0.853 1.00 5.27 H new ATOM 0 HE1 MET A 208 -29.779 -6.624 -1.646 1.00 6.74 H new ATOM 0 HE2 MET A 208 -29.240 -6.929 0.022 1.00 6.74 H new ATOM 0 HE3 MET A 208 -30.112 -5.428 -0.371 1.00 6.74 H new ATOM 72 N ASN A 209 -23.463 -3.069 0.977 1.00 3.19 N ATOM 73 CA ASN A 209 -22.296 -2.195 1.004 1.00 3.10 C ATOM 74 C ASN A 209 -21.008 -3.007 1.097 1.00 2.76 C ATOM 75 O ASN A 209 -20.956 -4.035 1.771 1.00 3.19 O ATOM 76 CB ASN A 209 -22.387 -1.226 2.183 1.00 3.66 C ATOM 77 CG ASN A 209 -23.644 -0.379 2.145 1.00 4.37 C ATOM 78 OD1 ASN A 209 -24.189 -0.010 3.186 1.00 4.83 O ATOM 79 ND2 ASN A 209 -24.112 -0.063 0.942 1.00 4.91 N ATOM 0 H ASN A 209 -24.110 -2.931 1.754 1.00 3.19 H new ATOM 0 HA ASN A 209 -22.278 -1.626 0.074 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -22.361 -1.790 3.115 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -21.514 -0.574 2.181 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -24.954 0.506 0.856 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -23.629 -0.390 0.105 1.00 4.91 H new ATOM 86 N ASP A 210 -19.970 -2.534 0.413 1.00 2.20 N ATOM 87 CA ASP A 210 -18.678 -3.210 0.412 1.00 1.85 C ATOM 88 C ASP A 210 -17.602 -2.307 -0.180 1.00 1.67 C ATOM 89 O ASP A 210 -16.498 -2.757 -0.486 1.00 1.70 O ATOM 90 CB ASP A 210 -18.760 -4.506 -0.396 1.00 1.87 C ATOM 91 CG ASP A 210 -17.857 -5.594 0.149 1.00 2.29 C ATOM 92 OD1 ASP A 210 -18.218 -6.204 1.177 1.00 2.79 O ATOM 93 OD2 ASP A 210 -16.791 -5.836 -0.452 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.000 -1.683 -0.149 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.415 -3.445 1.443 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -19.790 -4.862 -0.399 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -18.490 -4.301 -1.432 1.00 1.87 H new ATOM 98 N THR A 211 -17.935 -1.031 -0.341 1.00 1.54 N ATOM 99 CA THR A 211 -17.003 -0.061 -0.903 1.00 1.39 C ATOM 100 C THR A 211 -15.718 0.009 -0.086 1.00 1.19 C ATOM 101 O THR A 211 -14.623 -0.133 -0.627 1.00 1.05 O ATOM 102 CB THR A 211 -17.631 1.344 -0.973 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.810 1.314 -1.787 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.645 2.357 -1.542 1.00 1.34 C ATOM 0 H THR A 211 -18.845 -0.644 -0.090 1.00 1.54 H new ATOM 0 HA THR A 211 -16.768 -0.398 -1.913 1.00 1.39 H new ATOM 0 HB THR A 211 -17.893 1.647 0.041 1.00 1.44 H new ATOM 0 HG1 THR A 211 -19.204 2.210 -1.825 1.00 1.62 H new ATOM 0 HG21 THR A 211 -17.115 3.340 -1.580 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.761 2.401 -0.906 1.00 1.34 H new ATOM 0 HG23 THR A 211 -16.353 2.055 -2.548 1.00 1.34 H new ATOM 112 N THR A 212 -15.864 0.221 1.218 1.00 1.20 N ATOM 113 CA THR A 212 -14.716 0.322 2.114 1.00 1.06 C ATOM 114 C THR A 212 -13.789 -0.884 1.986 1.00 0.95 C ATOM 115 O THR A 212 -12.591 -0.778 2.242 1.00 0.80 O ATOM 116 CB THR A 212 -15.160 0.457 3.581 1.00 1.16 C ATOM 117 OG1 THR A 212 -16.182 1.454 3.696 1.00 1.30 O ATOM 118 CG2 THR A 212 -13.985 0.828 4.472 1.00 1.05 C ATOM 0 H THR A 212 -16.768 0.326 1.679 1.00 1.20 H new ATOM 0 HA THR A 212 -14.172 1.219 1.817 1.00 1.06 H new ATOM 0 HB THR A 212 -15.553 -0.506 3.906 1.00 1.16 H new ATOM 0 HG1 THR A 212 -16.459 1.532 4.633 1.00 1.30 H new ATOM 0 HG21 THR A 212 -14.325 0.917 5.504 1.00 1.05 H new ATOM 0 HG22 THR A 212 -13.221 0.054 4.408 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.566 1.779 4.144 1.00 1.05 H new ATOM 126 N VAL A 213 -14.341 -2.030 1.590 1.00 1.07 N ATOM 127 CA VAL A 213 -13.540 -3.237 1.439 1.00 1.04 C ATOM 128 C VAL A 213 -12.440 -3.023 0.405 1.00 0.87 C ATOM 129 O VAL A 213 -11.341 -3.561 0.532 1.00 0.79 O ATOM 130 CB VAL A 213 -14.403 -4.448 1.039 1.00 1.21 C ATOM 131 CG1 VAL A 213 -13.539 -5.682 0.820 1.00 1.21 C ATOM 132 CG2 VAL A 213 -15.460 -4.715 2.101 1.00 1.41 C ATOM 0 H VAL A 213 -15.330 -2.145 1.370 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.088 -3.449 2.408 1.00 1.04 H new ATOM 0 HB VAL A 213 -14.904 -4.217 0.099 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -14.172 -6.524 0.538 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -12.820 -5.486 0.024 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.006 -5.921 1.740 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.063 -5.574 1.806 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -14.974 -4.923 3.054 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.101 -3.840 2.205 1.00 1.41 H new ATOM 142 N TRP A 214 -12.746 -2.232 -0.618 1.00 0.85 N ATOM 143 CA TRP A 214 -11.778 -1.931 -1.663 1.00 0.74 C ATOM 144 C TRP A 214 -10.849 -0.810 -1.210 1.00 0.59 C ATOM 145 O TRP A 214 -9.693 -0.742 -1.626 1.00 0.51 O ATOM 146 CB TRP A 214 -12.485 -1.529 -2.957 1.00 0.83 C ATOM 147 CG TRP A 214 -13.432 -2.572 -3.468 1.00 1.03 C ATOM 148 CD1 TRP A 214 -14.753 -2.707 -3.152 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.129 -3.627 -4.388 1.00 1.11 C ATOM 150 NE1 TRP A 214 -15.290 -3.781 -3.818 1.00 1.37 N ATOM 151 CE2 TRP A 214 -14.314 -4.362 -4.584 1.00 1.31 C ATOM 152 CE3 TRP A 214 -11.972 -4.020 -5.067 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -14.374 -5.468 -5.429 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -12.033 -5.118 -5.905 1.00 1.26 C ATOM 155 CH2 TRP A 214 -13.225 -5.830 -6.081 1.00 1.42 C ATOM 0 H TRP A 214 -13.656 -1.789 -0.744 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.190 -2.829 -1.854 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -13.033 -0.602 -2.789 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.736 -1.323 -3.722 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.297 -2.063 -2.477 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -16.258 -4.095 -3.753 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.048 -3.476 -4.939 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -15.292 -6.020 -5.565 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -11.145 -5.432 -6.433 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -13.239 -6.682 -6.744 1.00 1.42 H new ATOM 166 N ILE A 215 -11.368 0.071 -0.356 1.00 0.61 N ATOM 167 CA ILE A 215 -10.582 1.182 0.170 1.00 0.53 C ATOM 168 C ILE A 215 -9.390 0.651 0.958 1.00 0.42 C ATOM 169 O ILE A 215 -8.268 1.136 0.810 1.00 0.33 O ATOM 170 CB ILE A 215 -11.438 2.106 1.069 1.00 0.64 C ATOM 171 CG1 ILE A 215 -12.232 3.104 0.217 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.570 2.847 2.079 1.00 0.60 C ATOM 173 CD1 ILE A 215 -13.230 2.458 -0.716 1.00 0.91 C ATOM 0 H ILE A 215 -12.329 0.036 -0.015 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.226 1.770 -0.676 1.00 0.53 H new ATOM 0 HB ILE A 215 -12.140 1.479 1.619 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.760 3.791 0.878 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.534 3.700 -0.371 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -11.198 3.489 2.697 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -10.053 2.126 2.713 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.837 3.457 1.551 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.750 3.230 -1.283 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.708 1.793 -1.403 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.953 1.885 -0.135 1.00 0.91 H new ATOM 185 N SER A 216 -9.643 -0.345 1.804 1.00 0.46 N ATOM 186 CA SER A 216 -8.585 -0.955 2.593 1.00 0.40 C ATOM 187 C SER A 216 -7.528 -1.522 1.658 1.00 0.29 C ATOM 188 O SER A 216 -6.335 -1.505 1.960 1.00 0.24 O ATOM 189 CB SER A 216 -9.148 -2.058 3.489 1.00 0.49 C ATOM 190 OG SER A 216 -9.781 -3.066 2.720 1.00 1.35 O ATOM 0 H SER A 216 -10.569 -0.743 1.958 1.00 0.46 H new ATOM 0 HA SER A 216 -8.135 -0.197 3.234 1.00 0.40 H new ATOM 0 HB2 SER A 216 -8.344 -2.498 4.079 1.00 0.49 H new ATOM 0 HB3 SER A 216 -9.862 -1.630 4.192 1.00 0.49 H new ATOM 0 HG SER A 216 -10.285 -2.652 1.989 1.00 1.35 H new ATOM 196 N VAL A 217 -7.990 -2.025 0.516 1.00 0.31 N ATOM 197 CA VAL A 217 -7.113 -2.584 -0.499 1.00 0.26 C ATOM 198 C VAL A 217 -6.391 -1.467 -1.245 1.00 0.19 C ATOM 199 O VAL A 217 -5.270 -1.640 -1.724 1.00 0.19 O ATOM 200 CB VAL A 217 -7.912 -3.440 -1.503 1.00 0.38 C ATOM 201 CG1 VAL A 217 -7.017 -3.927 -2.633 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.565 -4.616 -0.793 1.00 0.48 C ATOM 0 H VAL A 217 -8.980 -2.055 0.272 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.381 -3.219 -0.000 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.695 -2.818 -1.937 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.603 -4.528 -3.328 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.597 -3.070 -3.160 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.209 -4.532 -2.222 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.125 -5.211 -1.514 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -7.796 -5.235 -0.332 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.243 -4.246 -0.024 1.00 0.48 H new ATOM 212 N ALA A 218 -7.052 -0.317 -1.331 1.00 0.21 N ATOM 213 CA ALA A 218 -6.499 0.848 -2.009 1.00 0.21 C ATOM 214 C ALA A 218 -5.180 1.270 -1.372 1.00 0.14 C ATOM 215 O ALA A 218 -4.198 1.545 -2.064 1.00 0.18 O ATOM 216 CB ALA A 218 -7.498 1.994 -1.963 1.00 0.27 C ATOM 0 H ALA A 218 -7.980 -0.168 -0.935 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.304 0.585 -3.049 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -7.079 2.862 -2.471 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.420 1.693 -2.459 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.711 2.249 -0.925 1.00 0.27 H new ATOM 222 N VAL A 219 -5.169 1.310 -0.047 1.00 0.10 N ATOM 223 CA VAL A 219 -3.984 1.702 0.699 1.00 0.14 C ATOM 224 C VAL A 219 -2.842 0.712 0.491 1.00 0.17 C ATOM 225 O VAL A 219 -1.689 1.113 0.339 1.00 0.25 O ATOM 226 CB VAL A 219 -4.286 1.817 2.204 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.110 2.436 2.942 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.549 2.630 2.430 1.00 0.20 C ATOM 0 H VAL A 219 -5.973 1.074 0.535 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.680 2.678 0.319 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.446 0.814 2.601 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.344 2.508 4.004 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.226 1.812 2.807 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.915 3.432 2.545 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.749 2.702 3.499 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.417 3.630 2.017 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.389 2.142 1.936 1.00 0.20 H new ATOM 238 N LEU A 220 -3.169 -0.581 0.480 1.00 0.15 N ATOM 239 CA LEU A 220 -2.164 -1.625 0.289 1.00 0.20 C ATOM 240 C LEU A 220 -1.344 -1.355 -0.960 1.00 0.21 C ATOM 241 O LEU A 220 -0.124 -1.505 -0.957 1.00 0.26 O ATOM 242 CB LEU A 220 -2.824 -2.999 0.175 1.00 0.20 C ATOM 243 CG LEU A 220 -3.981 -3.243 1.140 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.509 -4.663 0.990 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.548 -2.982 2.576 1.00 0.27 C ATOM 0 H LEU A 220 -4.120 -0.929 0.601 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.507 -1.617 1.159 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.188 -3.127 -0.844 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.066 -3.764 0.341 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.784 -2.548 0.895 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.334 -4.820 1.685 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -4.861 -4.814 -0.030 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -3.711 -5.373 1.207 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.388 -3.162 3.248 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.726 -3.650 2.835 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.220 -1.947 2.675 1.00 0.27 H new ATOM 257 N SER A 221 -2.026 -0.964 -2.029 1.00 0.20 N ATOM 258 CA SER A 221 -1.357 -0.662 -3.290 1.00 0.25 C ATOM 259 C SER A 221 -0.263 0.373 -3.068 1.00 0.28 C ATOM 260 O SER A 221 0.822 0.280 -3.639 1.00 0.33 O ATOM 261 CB SER A 221 -2.363 -0.154 -4.324 1.00 0.27 C ATOM 262 OG SER A 221 -3.362 -1.126 -4.585 1.00 1.14 O ATOM 0 H SER A 221 -3.039 -0.848 -2.049 1.00 0.20 H new ATOM 0 HA SER A 221 -0.905 -1.578 -3.670 1.00 0.25 H new ATOM 0 HB2 SER A 221 -2.829 0.763 -3.963 1.00 0.27 H new ATOM 0 HB3 SER A 221 -1.844 0.096 -5.249 1.00 0.27 H new ATOM 0 HG SER A 221 -3.994 -0.776 -5.248 1.00 1.14 H new ATOM 268 N ALA A 222 -0.564 1.372 -2.248 1.00 0.28 N ATOM 269 CA ALA A 222 0.402 2.413 -1.933 1.00 0.32 C ATOM 270 C ALA A 222 1.496 1.880 -1.009 1.00 0.35 C ATOM 271 O ALA A 222 2.667 2.229 -1.149 1.00 0.38 O ATOM 272 CB ALA A 222 -0.290 3.607 -1.297 1.00 0.33 C ATOM 0 H ALA A 222 -1.469 1.482 -1.790 1.00 0.28 H new ATOM 0 HA ALA A 222 0.868 2.735 -2.864 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.448 4.376 -1.068 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -1.030 4.009 -1.988 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.785 3.294 -0.378 1.00 0.33 H new ATOM 278 N VAL A 223 1.100 1.022 -0.069 1.00 0.35 N ATOM 279 CA VAL A 223 2.034 0.445 0.892 1.00 0.39 C ATOM 280 C VAL A 223 3.120 -0.376 0.205 1.00 0.40 C ATOM 281 O VAL A 223 4.307 -0.172 0.457 1.00 0.42 O ATOM 282 CB VAL A 223 1.307 -0.438 1.928 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.308 -1.117 2.852 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.313 0.390 2.729 1.00 0.39 C ATOM 0 H VAL A 223 0.135 0.712 0.046 1.00 0.35 H new ATOM 0 HA VAL A 223 2.502 1.284 1.406 1.00 0.39 H new ATOM 0 HB VAL A 223 0.757 -1.213 1.394 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.775 -1.735 3.575 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.979 -1.743 2.264 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.888 -0.360 3.380 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.191 -0.248 3.455 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.841 1.187 3.252 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.425 0.825 2.055 1.00 0.39 H new ATOM 294 N ILE A 224 2.715 -1.306 -0.659 1.00 0.40 N ATOM 295 CA ILE A 224 3.677 -2.143 -1.365 1.00 0.42 C ATOM 296 C ILE A 224 4.673 -1.279 -2.130 1.00 0.39 C ATOM 297 O ILE A 224 5.836 -1.645 -2.288 1.00 0.39 O ATOM 298 CB ILE A 224 2.984 -3.127 -2.332 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.040 -2.385 -3.279 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.229 -4.190 -1.550 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.680 -1.994 -4.594 1.00 0.46 C ATOM 0 H ILE A 224 1.738 -1.496 -0.884 1.00 0.40 H new ATOM 0 HA ILE A 224 4.208 -2.730 -0.615 1.00 0.42 H new ATOM 0 HB ILE A 224 3.751 -3.615 -2.933 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.173 -3.014 -3.480 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.674 -1.487 -2.782 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.745 -4.877 -2.244 1.00 0.51 H new ATOM 0 HG22 ILE A 224 2.926 -4.742 -0.920 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.474 -3.714 -0.925 1.00 0.51 H new ATOM 0 HD11 ILE A 224 1.950 -1.472 -5.213 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.530 -1.338 -4.404 1.00 0.46 H new ATOM 0 HD13 ILE A 224 3.021 -2.890 -5.113 1.00 0.46 H new ATOM 313 N CYS A 225 4.205 -0.129 -2.605 1.00 0.38 N ATOM 314 CA CYS A 225 5.059 0.799 -3.334 1.00 0.36 C ATOM 315 C CYS A 225 6.116 1.385 -2.406 1.00 0.34 C ATOM 316 O CYS A 225 7.251 1.631 -2.814 1.00 0.34 O ATOM 317 CB CYS A 225 4.224 1.925 -3.945 1.00 0.36 C ATOM 318 SG CYS A 225 5.185 3.120 -4.902 1.00 1.36 S ATOM 0 H CYS A 225 3.239 0.181 -2.498 1.00 0.38 H new ATOM 0 HA CYS A 225 5.555 0.252 -4.136 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.461 1.488 -4.590 1.00 0.36 H new ATOM 0 HB3 CYS A 225 3.702 2.451 -3.145 1.00 0.36 H new ATOM 0 HG CYS A 225 6.423 3.098 -4.506 1.00 1.36 H new ATOM 324 N LEU A 226 5.727 1.604 -1.153 1.00 0.35 N ATOM 325 CA LEU A 226 6.624 2.170 -0.151 1.00 0.35 C ATOM 326 C LEU A 226 7.703 1.175 0.271 1.00 0.31 C ATOM 327 O LEU A 226 8.886 1.512 0.300 1.00 0.29 O ATOM 328 CB LEU A 226 5.824 2.625 1.073 1.00 0.40 C ATOM 329 CG LEU A 226 5.408 4.099 1.069 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.464 4.391 -0.088 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.760 4.473 2.392 1.00 0.51 C ATOM 0 H LEU A 226 4.790 1.396 -0.806 1.00 0.35 H new ATOM 0 HA LEU A 226 7.122 3.029 -0.601 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.927 2.011 1.149 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.418 2.434 1.967 1.00 0.40 H new ATOM 0 HG LEU A 226 6.304 4.705 0.939 1.00 0.46 H new ATOM 0 HD11 LEU A 226 4.182 5.444 -0.071 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.963 4.164 -1.030 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.570 3.774 0.007 1.00 0.44 H new ATOM 0 HD21 LEU A 226 4.471 5.524 2.371 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.875 3.856 2.551 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.468 4.308 3.204 1.00 0.51 H new ATOM 343 N ILE A 227 7.293 -0.047 0.598 1.00 0.33 N ATOM 344 CA ILE A 227 8.235 -1.076 1.027 1.00 0.31 C ATOM 345 C ILE A 227 9.311 -1.325 -0.025 1.00 0.25 C ATOM 346 O ILE A 227 10.460 -1.594 0.313 1.00 0.22 O ATOM 347 CB ILE A 227 7.536 -2.410 1.364 1.00 0.38 C ATOM 348 CG1 ILE A 227 6.884 -3.013 0.120 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.505 -2.201 2.461 1.00 0.45 C ATOM 350 CD1 ILE A 227 6.696 -4.512 0.207 1.00 0.46 C ATOM 0 H ILE A 227 6.319 -0.348 0.574 1.00 0.33 H new ATOM 0 HA ILE A 227 8.701 -0.693 1.935 1.00 0.31 H new ATOM 0 HB ILE A 227 8.289 -3.112 1.723 1.00 0.38 H new ATOM 0 HG12 ILE A 227 5.914 -2.541 -0.038 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.497 -2.781 -0.751 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.019 -3.150 2.689 1.00 0.45 H new ATOM 0 HG22 ILE A 227 6.998 -1.821 3.356 1.00 0.45 H new ATOM 0 HG23 ILE A 227 5.758 -1.482 2.126 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.228 -4.874 -0.709 1.00 0.46 H new ATOM 0 HD12 ILE A 227 7.666 -4.994 0.334 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.058 -4.750 1.058 1.00 0.46 H new ATOM 362 N ILE A 228 8.932 -1.248 -1.296 1.00 0.24 N ATOM 363 CA ILE A 228 9.875 -1.472 -2.387 1.00 0.21 C ATOM 364 C ILE A 228 10.969 -0.415 -2.360 1.00 0.17 C ATOM 365 O ILE A 228 12.134 -0.698 -2.635 1.00 0.17 O ATOM 366 CB ILE A 228 9.167 -1.452 -3.758 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.195 -2.628 -3.866 1.00 0.29 C ATOM 368 CG2 ILE A 228 10.187 -1.496 -4.889 1.00 0.27 C ATOM 369 CD1 ILE A 228 7.194 -2.487 -4.994 1.00 0.36 C ATOM 0 H ILE A 228 7.981 -1.033 -1.596 1.00 0.24 H new ATOM 0 HA ILE A 228 10.317 -2.458 -2.246 1.00 0.21 H new ATOM 0 HB ILE A 228 8.603 -0.523 -3.845 1.00 0.26 H new ATOM 0 HG12 ILE A 228 8.764 -3.547 -4.009 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.656 -2.731 -2.924 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.668 -1.481 -5.848 1.00 0.27 H new ATOM 0 HG22 ILE A 228 10.845 -0.630 -4.819 1.00 0.27 H new ATOM 0 HG23 ILE A 228 10.778 -2.408 -4.811 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.538 -3.357 -5.009 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.599 -1.587 -4.842 1.00 0.36 H new ATOM 0 HD13 ILE A 228 7.724 -2.415 -5.944 1.00 0.36 H new ATOM 381 N VAL A 229 10.576 0.805 -2.024 1.00 0.17 N ATOM 382 CA VAL A 229 11.506 1.918 -1.945 1.00 0.18 C ATOM 383 C VAL A 229 12.589 1.652 -0.900 1.00 0.14 C ATOM 384 O VAL A 229 13.778 1.833 -1.165 1.00 0.17 O ATOM 385 CB VAL A 229 10.764 3.222 -1.597 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.747 4.357 -1.342 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.791 3.591 -2.708 1.00 0.30 C ATOM 0 H VAL A 229 9.611 1.049 -1.800 1.00 0.17 H new ATOM 0 HA VAL A 229 11.978 2.025 -2.922 1.00 0.18 H new ATOM 0 HB VAL A 229 10.197 3.058 -0.681 1.00 0.24 H new ATOM 0 HG11 VAL A 229 11.198 5.266 -1.098 1.00 0.27 H new ATOM 0 HG12 VAL A 229 12.399 4.093 -0.510 1.00 0.27 H new ATOM 0 HG13 VAL A 229 12.349 4.525 -2.235 1.00 0.27 H new ATOM 0 HG21 VAL A 229 9.274 4.515 -2.447 1.00 0.30 H new ATOM 0 HG22 VAL A 229 10.339 3.732 -3.640 1.00 0.30 H new ATOM 0 HG23 VAL A 229 9.062 2.791 -2.834 1.00 0.30 H new ATOM 397 N TRP A 230 12.169 1.220 0.287 1.00 0.14 N ATOM 398 CA TRP A 230 13.102 0.927 1.371 1.00 0.16 C ATOM 399 C TRP A 230 13.879 -0.349 1.087 1.00 0.12 C ATOM 400 O TRP A 230 15.077 -0.429 1.337 1.00 0.17 O ATOM 401 CB TRP A 230 12.358 0.790 2.700 1.00 0.24 C ATOM 402 CG TRP A 230 12.019 2.103 3.333 1.00 0.32 C ATOM 403 CD1 TRP A 230 12.898 3.043 3.788 1.00 0.35 C ATOM 404 CD2 TRP A 230 10.709 2.618 3.588 1.00 0.40 C ATOM 405 NE1 TRP A 230 12.213 4.115 4.309 1.00 0.43 N ATOM 406 CE2 TRP A 230 10.868 3.877 4.198 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.418 2.138 3.358 1.00 0.44 C ATOM 408 CZ2 TRP A 230 9.783 4.660 4.581 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.341 2.917 3.740 1.00 0.54 C ATOM 410 CH2 TRP A 230 8.529 4.166 4.344 1.00 0.59 C ATOM 0 H TRP A 230 11.189 1.065 0.522 1.00 0.14 H new ATOM 0 HA TRP A 230 13.804 1.758 1.440 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.439 0.227 2.536 1.00 0.24 H new ATOM 0 HB3 TRP A 230 12.969 0.210 3.391 1.00 0.24 H new ATOM 0 HD1 TRP A 230 13.974 2.957 3.745 1.00 0.35 H new ATOM 0 HE1 TRP A 230 12.637 4.951 4.712 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.264 1.177 2.891 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 9.926 5.623 5.049 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.338 2.556 3.569 1.00 0.54 H new ATOM 0 HH2 TRP A 230 7.667 4.751 4.629 1.00 0.59 H new ATOM 421 N ALA A 231 13.178 -1.343 0.562 1.00 0.11 N ATOM 422 CA ALA A 231 13.777 -2.631 0.246 1.00 0.16 C ATOM 423 C ALA A 231 14.837 -2.504 -0.842 1.00 0.20 C ATOM 424 O ALA A 231 15.543 -3.466 -1.146 1.00 0.29 O ATOM 425 CB ALA A 231 12.693 -3.604 -0.184 1.00 0.20 C ATOM 0 H ALA A 231 12.184 -1.280 0.344 1.00 0.11 H new ATOM 0 HA ALA A 231 14.271 -3.008 1.142 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.143 -4.568 -0.420 1.00 0.20 H new ATOM 0 HB2 ALA A 231 11.973 -3.728 0.625 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.184 -3.215 -1.066 1.00 0.20 H new ATOM 431 N VAL A 232 14.936 -1.320 -1.430 1.00 0.21 N ATOM 432 CA VAL A 232 15.918 -1.062 -2.474 1.00 0.33 C ATOM 433 C VAL A 232 16.887 0.031 -2.026 1.00 0.39 C ATOM 434 O VAL A 232 17.841 0.378 -2.724 1.00 0.50 O ATOM 435 CB VAL A 232 15.232 -0.676 -3.800 1.00 0.37 C ATOM 436 CG1 VAL A 232 16.247 -0.208 -4.832 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.437 -1.859 -4.328 1.00 0.37 C ATOM 0 H VAL A 232 14.346 -0.520 -1.201 1.00 0.21 H new ATOM 0 HA VAL A 232 16.482 -1.978 -2.649 1.00 0.33 H new ATOM 0 HB VAL A 232 14.553 0.155 -3.609 1.00 0.37 H new ATOM 0 HG11 VAL A 232 15.732 0.057 -5.755 1.00 0.51 H new ATOM 0 HG12 VAL A 232 16.778 0.664 -4.450 1.00 0.51 H new ATOM 0 HG13 VAL A 232 16.959 -1.009 -5.031 1.00 0.51 H new ATOM 0 HG21 VAL A 232 13.953 -1.583 -5.265 1.00 0.37 H new ATOM 0 HG22 VAL A 232 15.108 -2.701 -4.500 1.00 0.37 H new ATOM 0 HG23 VAL A 232 13.679 -2.143 -3.598 1.00 0.37 H new ATOM 447 N ALA A 233 16.656 0.533 -0.826 1.00 0.33 N ATOM 448 CA ALA A 233 17.503 1.560 -0.245 1.00 0.41 C ATOM 449 C ALA A 233 18.124 0.999 1.023 1.00 0.44 C ATOM 450 O ALA A 233 18.947 1.635 1.683 1.00 0.52 O ATOM 451 CB ALA A 233 16.701 2.817 0.051 1.00 0.37 C ATOM 0 H ALA A 233 15.881 0.243 -0.230 1.00 0.33 H new ATOM 0 HA ALA A 233 18.288 1.839 -0.948 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.356 3.572 0.486 1.00 0.37 H new ATOM 0 HB2 ALA A 233 16.269 3.199 -0.874 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.902 2.582 0.754 1.00 0.37 H new ATOM 457 N LEU A 234 17.697 -0.219 1.338 1.00 0.39 N ATOM 458 CA LEU A 234 18.171 -0.966 2.489 1.00 0.46 C ATOM 459 C LEU A 234 18.804 -2.256 1.988 1.00 0.53 C ATOM 460 O LEU A 234 19.140 -3.152 2.763 1.00 0.60 O ATOM 461 CB LEU A 234 17.005 -1.305 3.426 1.00 0.42 C ATOM 462 CG LEU A 234 16.580 -0.216 4.415 1.00 0.43 C ATOM 463 CD1 LEU A 234 16.391 1.122 3.717 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.297 -0.632 5.114 1.00 0.45 C ATOM 0 H LEU A 234 16.999 -0.721 0.788 1.00 0.39 H new ATOM 0 HA LEU A 234 18.896 -0.367 3.041 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.141 -1.565 2.814 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.273 -2.196 3.995 1.00 0.42 H new ATOM 0 HG LEU A 234 17.372 -0.095 5.154 1.00 0.43 H new ATOM 0 HD11 LEU A 234 16.089 1.874 4.447 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.328 1.425 3.251 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.619 1.028 2.953 1.00 0.39 H new ATOM 0 HD21 LEU A 234 14.997 0.145 5.817 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.510 -0.775 4.374 1.00 0.45 H new ATOM 0 HD23 LEU A 234 15.462 -1.565 5.653 1.00 0.45 H new ATOM 476 N LYS A 235 18.956 -2.330 0.668 1.00 0.53 N ATOM 477 CA LYS A 235 19.514 -3.496 0.010 1.00 0.61 C ATOM 478 C LYS A 235 20.841 -3.165 -0.667 1.00 0.74 C ATOM 479 O LYS A 235 21.532 -4.052 -1.167 1.00 0.82 O ATOM 480 CB LYS A 235 18.516 -4.020 -1.020 1.00 0.54 C ATOM 481 CG LYS A 235 17.956 -5.398 -0.709 1.00 0.55 C ATOM 482 CD LYS A 235 17.474 -5.501 0.726 1.00 0.53 C ATOM 483 CE LYS A 235 16.073 -6.067 0.798 1.00 0.49 C ATOM 484 NZ LYS A 235 15.718 -6.506 2.176 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.694 -1.580 0.029 1.00 0.53 H new ATOM 0 HA LYS A 235 19.705 -4.262 0.761 1.00 0.61 H new ATOM 0 HB2 LYS A 235 17.689 -3.314 -1.098 1.00 0.54 H new ATOM 0 HB3 LYS A 235 19.002 -4.050 -1.995 1.00 0.54 H new ATOM 0 HG2 LYS A 235 17.130 -5.616 -1.386 1.00 0.55 H new ATOM 0 HG3 LYS A 235 18.723 -6.151 -0.889 1.00 0.55 H new ATOM 0 HD2 LYS A 235 18.154 -6.135 1.295 1.00 0.53 H new ATOM 0 HD3 LYS A 235 17.494 -4.515 1.190 1.00 0.53 H new ATOM 0 HE2 LYS A 235 15.360 -5.314 0.463 1.00 0.49 H new ATOM 0 HE3 LYS A 235 15.988 -6.912 0.115 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 14.750 -6.887 2.180 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 16.382 -7.243 2.487 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 15.773 -5.694 2.824 1.00 0.56 H new ATOM 498 N GLY A 236 21.188 -1.882 -0.678 1.00 1.13 N ATOM 499 CA GLY A 236 22.431 -1.454 -1.294 1.00 1.30 C ATOM 500 C GLY A 236 22.488 0.044 -1.515 1.00 1.58 C ATOM 501 O GLY A 236 23.553 0.593 -1.797 1.00 1.97 O ATOM 0 H GLY A 236 20.631 -1.131 -0.271 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.267 -1.756 -0.664 1.00 1.30 H new ATOM 0 HA3 GLY A 236 22.552 -1.963 -2.250 1.00 1.30 H new ATOM 505 N TYR A 237 21.337 0.701 -1.364 1.00 1.55 N ATOM 506 CA TYR A 237 21.214 2.147 -1.542 1.00 1.93 C ATOM 507 C TYR A 237 22.140 2.686 -2.633 1.00 2.68 C ATOM 508 O TYR A 237 22.650 3.802 -2.533 1.00 3.13 O ATOM 509 CB TYR A 237 21.475 2.854 -0.212 1.00 1.48 C ATOM 510 CG TYR A 237 22.812 2.521 0.419 1.00 1.63 C ATOM 511 CD1 TYR A 237 23.975 3.147 -0.010 1.00 2.15 C ATOM 512 CD2 TYR A 237 22.913 1.583 1.439 1.00 2.12 C ATOM 513 CE1 TYR A 237 25.200 2.849 0.559 1.00 2.91 C ATOM 514 CE2 TYR A 237 24.133 1.278 2.013 1.00 2.76 C ATOM 515 CZ TYR A 237 25.261 1.909 1.592 1.00 3.10 C ATOM 516 OH TYR A 237 26.488 1.613 2.137 1.00 4.00 O ATOM 0 H TYR A 237 20.461 0.242 -1.114 1.00 1.55 H new ATOM 0 HA TYR A 237 20.196 2.353 -1.871 1.00 1.93 H new ATOM 0 HB2 TYR A 237 21.419 3.931 -0.369 1.00 1.48 H new ATOM 0 HB3 TYR A 237 20.681 2.592 0.487 1.00 1.48 H new ATOM 0 HD1 TYR A 237 23.922 3.879 -0.802 1.00 2.15 H new ATOM 0 HD2 TYR A 237 22.022 1.083 1.790 1.00 2.12 H new ATOM 0 HE1 TYR A 237 26.098 3.336 0.210 1.00 2.91 H new ATOM 0 HE2 TYR A 237 24.190 0.537 2.797 1.00 2.76 H new ATOM 0 HH TYR A 237 26.379 0.945 2.845 1.00 4.00 H new ATOM 526 N SER A 238 22.337 1.897 -3.682 1.00 3.04 N ATOM 527 CA SER A 238 23.202 2.296 -4.785 1.00 3.95 C ATOM 528 C SER A 238 22.408 3.008 -5.877 1.00 4.58 C ATOM 529 O SER A 238 22.930 3.888 -6.562 1.00 5.29 O ATOM 530 CB SER A 238 23.914 1.074 -5.362 1.00 4.49 C ATOM 531 OG SER A 238 24.849 0.543 -4.439 1.00 4.96 O ATOM 0 H SER A 238 21.910 0.977 -3.792 1.00 3.04 H new ATOM 0 HA SER A 238 23.945 2.993 -4.399 1.00 3.95 H new ATOM 0 HB2 SER A 238 23.180 0.311 -5.620 1.00 4.49 H new ATOM 0 HB3 SER A 238 24.426 1.350 -6.284 1.00 4.49 H new ATOM 0 HG SER A 238 24.452 0.528 -3.543 1.00 4.96 H new ATOM 537 N MET A 239 21.146 2.620 -6.033 1.00 4.61 N ATOM 538 CA MET A 239 20.282 3.224 -7.042 1.00 5.54 C ATOM 539 C MET A 239 19.210 4.094 -6.393 1.00 5.88 C ATOM 540 O MET A 239 18.070 4.142 -6.853 1.00 6.64 O ATOM 541 CB MET A 239 19.625 2.140 -7.894 1.00 5.96 C ATOM 542 CG MET A 239 20.622 1.261 -8.633 1.00 6.04 C ATOM 543 SD MET A 239 19.822 0.044 -9.697 1.00 6.88 S ATOM 544 CE MET A 239 21.249 -0.768 -10.415 1.00 6.96 C ATOM 0 H MET A 239 20.700 1.892 -5.475 1.00 4.61 H new ATOM 0 HA MET A 239 20.900 3.856 -7.680 1.00 5.54 H new ATOM 0 HB2 MET A 239 19.004 1.513 -7.254 1.00 5.96 H new ATOM 0 HB3 MET A 239 18.961 2.611 -8.619 1.00 5.96 H new ATOM 0 HG2 MET A 239 21.277 1.890 -9.236 1.00 6.04 H new ATOM 0 HG3 MET A 239 21.253 0.746 -7.909 1.00 6.04 H new ATOM 0 HE1 MET A 239 20.917 -1.549 -11.099 1.00 6.96 H new ATOM 0 HE2 MET A 239 21.847 -0.038 -10.961 1.00 6.96 H new ATOM 0 HE3 MET A 239 21.852 -1.211 -9.623 1.00 6.96 H new ATOM 554 N VAL A 240 19.587 4.782 -5.321 1.00 5.58 N ATOM 555 CA VAL A 240 18.662 5.653 -4.605 1.00 6.19 C ATOM 556 C VAL A 240 18.282 6.868 -5.449 1.00 7.44 C ATOM 557 O VAL A 240 18.982 7.900 -5.357 1.00 7.88 O ATOM 558 CB VAL A 240 19.261 6.124 -3.265 1.00 5.82 C ATOM 559 CG1 VAL A 240 19.111 5.041 -2.207 1.00 4.89 C ATOM 560 CG2 VAL A 240 20.724 6.507 -3.436 1.00 5.70 C ATOM 561 OXT VAL A 240 17.287 6.778 -6.198 1.00 8.12 O ATOM 0 H VAL A 240 20.528 4.753 -4.928 1.00 5.58 H new ATOM 0 HA VAL A 240 17.764 5.069 -4.403 1.00 6.19 H new ATOM 0 HB VAL A 240 18.714 7.007 -2.935 1.00 5.82 H new ATOM 0 HG11 VAL A 240 19.539 5.389 -1.267 1.00 4.89 H new ATOM 0 HG12 VAL A 240 18.054 4.816 -2.064 1.00 4.89 H new ATOM 0 HG13 VAL A 240 19.632 4.141 -2.532 1.00 4.89 H new ATOM 0 HG21 VAL A 240 21.128 6.837 -2.479 1.00 5.70 H new ATOM 0 HG22 VAL A 240 21.287 5.643 -3.790 1.00 5.70 H new ATOM 0 HG23 VAL A 240 20.806 7.316 -4.162 1.00 5.70 H new TER 571 VAL A 240