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 160:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 MET CE :methyl -160:sc= -0.109 (180deg=-0.595) USER MOD Single : A 209 ASN :FLIP amide:sc= -0.0483 F(o=-1.1,f=-0.048) USER MOD Single : A 211 THR OG1 : rot 139:sc= 0.111 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 225 CYS SG : rot 85:sc= 0.809 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 -20:sc= 0.278 USER MOD Single : A 239 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -26.468 -3.417 7.995 1.00 11.27 N ATOM 2 CA GLY A 204 -25.429 -4.344 8.522 1.00 10.74 C ATOM 3 C GLY A 204 -24.095 -3.657 8.738 1.00 10.08 C ATOM 4 O GLY A 204 -23.072 -4.315 8.928 1.00 10.33 O ATOM 0 HA2 GLY A 204 -25.771 -4.770 9.465 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -25.299 -5.173 7.826 1.00 10.74 H new ATOM 10 N SER A 205 -24.107 -2.327 8.709 1.00 9.44 N ATOM 11 CA SER A 205 -22.889 -1.549 8.904 1.00 8.98 C ATOM 12 C SER A 205 -23.195 -0.222 9.589 1.00 8.39 C ATOM 13 O SER A 205 -24.352 0.190 9.678 1.00 8.34 O ATOM 14 CB SER A 205 -22.200 -1.295 7.561 1.00 9.23 C ATOM 15 OG SER A 205 -23.043 -0.569 6.684 1.00 10.03 O ATOM 0 H SER A 205 -24.945 -1.767 8.553 1.00 9.44 H new ATOM 0 HA SER A 205 -22.220 -2.123 9.545 1.00 8.98 H new ATOM 0 HB2 SER A 205 -21.275 -0.741 7.722 1.00 9.23 H new ATOM 0 HB3 SER A 205 -21.927 -2.246 7.103 1.00 9.23 H new ATOM 0 HG SER A 205 -22.502 -0.146 5.985 1.00 10.03 H new ATOM 21 N PHE A 206 -22.149 0.442 10.072 1.00 8.19 N ATOM 22 CA PHE A 206 -22.303 1.724 10.752 1.00 7.85 C ATOM 23 C PHE A 206 -21.423 2.790 10.111 1.00 7.28 C ATOM 24 O PHE A 206 -21.113 3.808 10.730 1.00 7.58 O ATOM 25 CB PHE A 206 -21.960 1.581 12.236 1.00 8.48 C ATOM 26 CG PHE A 206 -22.946 0.747 13.000 1.00 8.90 C ATOM 27 CD1 PHE A 206 -22.833 -0.636 13.028 1.00 8.94 C ATOM 28 CD2 PHE A 206 -23.988 1.343 13.691 1.00 9.52 C ATOM 29 CE1 PHE A 206 -23.741 -1.405 13.731 1.00 9.58 C ATOM 30 CE2 PHE A 206 -24.899 0.578 14.395 1.00 10.16 C ATOM 31 CZ PHE A 206 -24.775 -0.797 14.415 1.00 10.18 C ATOM 0 H PHE A 206 -21.186 0.114 10.005 1.00 8.19 H new ATOM 0 HA PHE A 206 -23.343 2.036 10.656 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -20.969 1.136 12.331 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -21.909 2.572 12.686 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -22.026 -1.117 12.494 1.00 8.94 H new ATOM 0 HD2 PHE A 206 -24.090 2.418 13.680 1.00 9.52 H new ATOM 0 HE1 PHE A 206 -23.642 -2.480 13.745 1.00 9.58 H new ATOM 0 HE2 PHE A 206 -25.707 1.055 14.929 1.00 10.16 H new ATOM 0 HZ PHE A 206 -25.486 -1.396 14.965 1.00 10.18 H new ATOM 41 N THR A 207 -21.022 2.549 8.865 1.00 6.75 N ATOM 42 CA THR A 207 -20.179 3.489 8.138 1.00 6.52 C ATOM 43 C THR A 207 -20.837 3.917 6.830 1.00 5.52 C ATOM 44 O THR A 207 -21.254 5.065 6.680 1.00 5.53 O ATOM 45 CB THR A 207 -18.794 2.885 7.835 1.00 7.16 C ATOM 46 OG1 THR A 207 -18.162 2.475 9.052 1.00 7.94 O ATOM 47 CG2 THR A 207 -17.909 3.893 7.115 1.00 7.52 C ATOM 0 H THR A 207 -21.268 1.710 8.340 1.00 6.75 H new ATOM 0 HA THR A 207 -20.051 4.362 8.778 1.00 6.52 H new ATOM 0 HB THR A 207 -18.934 2.019 7.188 1.00 7.16 H new ATOM 0 HG1 THR A 207 -17.283 2.091 8.851 1.00 7.94 H new ATOM 0 HG21 THR A 207 -16.937 3.444 6.912 1.00 7.52 H new ATOM 0 HG22 THR A 207 -18.378 4.183 6.175 1.00 7.52 H new ATOM 0 HG23 THR A 207 -17.777 4.775 7.742 1.00 7.52 H new ATOM 55 N MET A 208 -20.926 2.984 5.887 1.00 4.97 N ATOM 56 CA MET A 208 -21.537 3.262 4.591 1.00 4.29 C ATOM 57 C MET A 208 -22.273 2.032 4.066 1.00 3.61 C ATOM 58 O MET A 208 -23.503 2.000 4.041 1.00 3.96 O ATOM 59 CB MET A 208 -20.471 3.708 3.588 1.00 4.65 C ATOM 60 CG MET A 208 -21.035 4.093 2.229 1.00 5.27 C ATOM 61 SD MET A 208 -19.759 4.613 1.067 1.00 5.92 S ATOM 62 CE MET A 208 -19.133 6.081 1.883 1.00 6.74 C ATOM 0 H MET A 208 -20.583 2.030 5.996 1.00 4.97 H new ATOM 0 HA MET A 208 -22.260 4.067 4.718 1.00 4.29 H new ATOM 0 HB2 MET A 208 -19.929 4.559 4.001 1.00 4.65 H new ATOM 0 HB3 MET A 208 -19.748 2.903 3.457 1.00 4.65 H new ATOM 0 HG2 MET A 208 -21.577 3.244 1.811 1.00 5.27 H new ATOM 0 HG3 MET A 208 -21.756 4.900 2.355 1.00 5.27 H new ATOM 0 HE1 MET A 208 -18.611 6.706 1.158 1.00 6.74 H new ATOM 0 HE2 MET A 208 -19.964 6.641 2.313 1.00 6.74 H new ATOM 0 HE3 MET A 208 -18.443 5.791 2.675 1.00 6.74 H new ATOM 72 N ASN A 209 -21.510 1.023 3.647 1.00 3.19 N ATOM 73 CA ASN A 209 -22.088 -0.211 3.125 1.00 3.10 C ATOM 74 C ASN A 209 -21.010 -1.269 2.904 1.00 2.76 C ATOM 75 O ASN A 209 -20.799 -2.138 3.750 1.00 3.19 O ATOM 76 CB ASN A 209 -22.834 0.059 1.815 1.00 3.66 C ATOM 77 CG ASN A 209 -23.426 -1.204 1.213 1.00 4.37 C ATOM 78 OD1 ASN A 209 -23.821 -2.143 2.066 1.00 4.83 O flip ATOM 79 ND2 ASN A 209 -23.534 -1.329 -0.006 1.00 4.91 N flip ATOM 0 H ASN A 209 -20.490 1.038 3.660 1.00 3.19 H new ATOM 0 HA ASN A 209 -22.795 -0.589 3.863 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -23.631 0.780 1.996 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -22.150 0.514 1.098 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -23.218 -0.583 -0.625 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -23.940 -2.179 -0.398 1.00 4.91 H new ATOM 86 N ASP A 210 -20.333 -1.190 1.764 1.00 2.20 N ATOM 87 CA ASP A 210 -19.279 -2.138 1.430 1.00 1.85 C ATOM 88 C ASP A 210 -18.211 -1.483 0.562 1.00 1.67 C ATOM 89 O ASP A 210 -17.304 -2.150 0.067 1.00 1.70 O ATOM 90 CB ASP A 210 -19.867 -3.342 0.701 1.00 1.87 C ATOM 91 CG ASP A 210 -19.824 -4.607 1.535 1.00 2.29 C ATOM 92 OD1 ASP A 210 -20.718 -4.785 2.391 1.00 2.79 O ATOM 93 OD2 ASP A 210 -18.899 -5.421 1.334 1.00 2.54 O1- ATOM 0 H ASP A 210 -20.497 -0.476 1.054 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.815 -2.469 2.359 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -20.900 -3.127 0.427 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -19.318 -3.504 -0.227 1.00 1.87 H new ATOM 98 N THR A 211 -18.331 -0.174 0.375 1.00 1.54 N ATOM 99 CA THR A 211 -17.377 0.574 -0.434 1.00 1.39 C ATOM 100 C THR A 211 -15.989 0.559 0.195 1.00 1.19 C ATOM 101 O THR A 211 -15.011 0.177 -0.447 1.00 1.05 O ATOM 102 CB THR A 211 -17.827 2.036 -0.622 1.00 1.44 C ATOM 103 OG1 THR A 211 -19.121 2.077 -1.233 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.834 2.807 -1.478 1.00 1.34 C ATOM 0 H THR A 211 -19.081 0.392 0.773 1.00 1.54 H new ATOM 0 HA THR A 211 -17.336 0.084 -1.407 1.00 1.39 H new ATOM 0 HB THR A 211 -17.873 2.504 0.361 1.00 1.44 H new ATOM 0 HG1 THR A 211 -19.662 2.774 -0.807 1.00 1.62 H new ATOM 0 HG21 THR A 211 -17.176 3.835 -1.595 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.857 2.802 -0.995 1.00 1.34 H new ATOM 0 HG23 THR A 211 -16.757 2.337 -2.458 1.00 1.34 H new ATOM 112 N THR A 212 -15.915 0.969 1.460 1.00 1.20 N ATOM 113 CA THR A 212 -14.648 1.017 2.185 1.00 1.06 C ATOM 114 C THR A 212 -13.903 -0.314 2.111 1.00 0.95 C ATOM 115 O THR A 212 -12.684 -0.360 2.273 1.00 0.80 O ATOM 116 CB THR A 212 -14.869 1.384 3.665 1.00 1.16 C ATOM 117 OG1 THR A 212 -15.707 2.542 3.766 1.00 1.30 O ATOM 118 CG2 THR A 212 -13.542 1.657 4.361 1.00 1.05 C ATOM 0 H THR A 212 -16.721 1.274 2.005 1.00 1.20 H new ATOM 0 HA THR A 212 -14.044 1.787 1.705 1.00 1.06 H new ATOM 0 HB THR A 212 -15.354 0.539 4.154 1.00 1.16 H new ATOM 0 HG1 THR A 212 -15.843 2.766 4.710 1.00 1.30 H new ATOM 0 HG21 THR A 212 -13.725 1.914 5.404 1.00 1.05 H new ATOM 0 HG22 THR A 212 -12.915 0.767 4.311 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.036 2.486 3.867 1.00 1.05 H new ATOM 126 N VAL A 213 -14.639 -1.397 1.863 1.00 1.07 N ATOM 127 CA VAL A 213 -14.035 -2.723 1.769 1.00 1.04 C ATOM 128 C VAL A 213 -12.901 -2.738 0.747 1.00 0.87 C ATOM 129 O VAL A 213 -11.860 -3.357 0.972 1.00 0.79 O ATOM 130 CB VAL A 213 -15.077 -3.792 1.390 1.00 1.21 C ATOM 131 CG1 VAL A 213 -14.430 -5.165 1.293 1.00 1.21 C ATOM 132 CG2 VAL A 213 -16.217 -3.804 2.398 1.00 1.41 C ATOM 0 H VAL A 213 -15.649 -1.381 1.724 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.633 -2.959 2.754 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.486 -3.541 0.411 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -15.184 -5.905 1.024 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -13.651 -5.147 0.530 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.990 -5.429 2.255 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.945 -4.565 2.115 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -15.824 -4.028 3.389 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.701 -2.827 2.412 1.00 1.41 H new ATOM 142 N TRP A 214 -13.110 -2.056 -0.375 1.00 0.85 N ATOM 143 CA TRP A 214 -12.099 -1.989 -1.425 1.00 0.74 C ATOM 144 C TRP A 214 -11.074 -0.902 -1.119 1.00 0.59 C ATOM 145 O TRP A 214 -9.902 -1.028 -1.478 1.00 0.51 O ATOM 146 CB TRP A 214 -12.749 -1.722 -2.782 1.00 0.83 C ATOM 147 CG TRP A 214 -13.812 -2.716 -3.136 1.00 1.03 C ATOM 148 CD1 TRP A 214 -15.140 -2.642 -2.825 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.639 -3.933 -3.871 1.00 1.11 C ATOM 150 NE1 TRP A 214 -15.802 -3.739 -3.321 1.00 1.37 N ATOM 151 CE2 TRP A 214 -14.903 -4.547 -3.967 1.00 1.31 C ATOM 152 CE3 TRP A 214 -12.539 -4.564 -4.457 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -15.094 -5.758 -4.625 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -12.730 -5.766 -5.110 1.00 1.26 C ATOM 155 CH2 TRP A 214 -13.999 -6.353 -5.190 1.00 1.42 C ATOM 0 H TRP A 214 -13.968 -1.543 -0.580 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.589 -2.951 -1.462 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -13.183 -0.722 -2.779 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -11.980 -1.733 -3.554 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.602 -1.839 -2.270 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -16.801 -3.922 -3.224 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.556 -4.120 -4.400 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -16.072 -6.212 -4.688 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -11.886 -6.262 -5.567 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -14.116 -7.294 -5.708 1.00 1.42 H new ATOM 166 N ILE A 215 -11.519 0.168 -0.461 1.00 0.61 N ATOM 167 CA ILE A 215 -10.627 1.264 -0.102 1.00 0.53 C ATOM 168 C ILE A 215 -9.467 0.739 0.738 1.00 0.42 C ATOM 169 O ILE A 215 -8.331 1.194 0.600 1.00 0.33 O ATOM 170 CB ILE A 215 -11.369 2.385 0.665 1.00 0.64 C ATOM 171 CG1 ILE A 215 -12.182 3.254 -0.302 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.391 3.250 1.448 1.00 0.60 C ATOM 173 CD1 ILE A 215 -13.308 2.518 -0.993 1.00 0.91 C ATOM 0 H ILE A 215 -12.487 0.297 -0.168 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.244 1.694 -1.028 1.00 0.53 H new ATOM 0 HB ILE A 215 -12.051 1.911 1.371 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.597 4.099 0.247 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.512 3.663 -1.058 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -10.938 4.030 1.978 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -9.853 2.632 2.167 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.680 3.709 0.761 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.834 3.201 -1.659 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.900 1.689 -1.572 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -14.002 2.132 -0.247 1.00 0.91 H new ATOM 185 N SER A 216 -9.763 -0.219 1.611 1.00 0.46 N ATOM 186 CA SER A 216 -8.737 -0.822 2.450 1.00 0.40 C ATOM 187 C SER A 216 -7.685 -1.474 1.564 1.00 0.29 C ATOM 188 O SER A 216 -6.497 -1.479 1.884 1.00 0.24 O ATOM 189 CB SER A 216 -9.351 -1.856 3.395 1.00 0.49 C ATOM 190 OG SER A 216 -8.362 -2.434 4.231 1.00 1.35 O ATOM 0 H SER A 216 -10.701 -0.592 1.754 1.00 0.46 H new ATOM 0 HA SER A 216 -8.271 -0.046 3.057 1.00 0.40 H new ATOM 0 HB2 SER A 216 -10.118 -1.383 4.008 1.00 0.49 H new ATOM 0 HB3 SER A 216 -9.843 -2.637 2.815 1.00 0.49 H new ATOM 0 HG SER A 216 -8.780 -3.090 4.827 1.00 1.35 H new ATOM 196 N VAL A 217 -8.146 -2.023 0.443 1.00 0.31 N ATOM 197 CA VAL A 217 -7.268 -2.664 -0.521 1.00 0.26 C ATOM 198 C VAL A 217 -6.476 -1.612 -1.286 1.00 0.19 C ATOM 199 O VAL A 217 -5.340 -1.844 -1.697 1.00 0.19 O ATOM 200 CB VAL A 217 -8.073 -3.523 -1.517 1.00 0.38 C ATOM 201 CG1 VAL A 217 -7.163 -4.112 -2.582 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.824 -4.622 -0.782 1.00 0.48 C ATOM 0 H VAL A 217 -9.132 -2.034 0.182 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.584 -3.313 0.026 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.800 -2.881 -2.014 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.753 -4.714 -3.273 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.674 -3.306 -3.129 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.408 -4.739 -2.109 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.387 -5.220 -1.499 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -8.113 -5.260 -0.257 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.511 -4.175 -0.063 1.00 0.48 H new ATOM 212 N ALA A 218 -7.097 -0.450 -1.467 1.00 0.21 N ATOM 213 CA ALA A 218 -6.467 0.659 -2.168 1.00 0.21 C ATOM 214 C ALA A 218 -5.166 1.057 -1.485 1.00 0.14 C ATOM 215 O ALA A 218 -4.166 1.355 -2.140 1.00 0.18 O ATOM 216 CB ALA A 218 -7.418 1.847 -2.219 1.00 0.27 C ATOM 0 H ALA A 218 -8.041 -0.254 -1.135 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.237 0.342 -3.185 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -6.940 2.673 -2.745 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.329 1.561 -2.744 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.666 2.158 -1.204 1.00 0.27 H new ATOM 222 N VAL A 219 -5.191 1.052 -0.158 1.00 0.10 N ATOM 223 CA VAL A 219 -4.026 1.411 0.636 1.00 0.14 C ATOM 224 C VAL A 219 -2.909 0.387 0.472 1.00 0.17 C ATOM 225 O VAL A 219 -1.742 0.751 0.339 1.00 0.25 O ATOM 226 CB VAL A 219 -4.385 1.539 2.127 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.219 2.116 2.910 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.626 2.400 2.298 1.00 0.20 C ATOM 0 H VAL A 219 -6.012 0.801 0.393 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.678 2.377 0.271 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.598 0.545 2.519 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.492 2.199 3.962 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.354 1.460 2.810 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.972 3.104 2.521 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.869 2.482 3.357 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.439 3.393 1.891 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.462 1.943 1.769 1.00 0.20 H new ATOM 238 N LEU A 220 -3.275 -0.896 0.483 1.00 0.15 N ATOM 239 CA LEU A 220 -2.297 -1.970 0.332 1.00 0.20 C ATOM 240 C LEU A 220 -1.438 -1.738 -0.898 1.00 0.21 C ATOM 241 O LEU A 220 -0.219 -1.901 -0.859 1.00 0.26 O ATOM 242 CB LEU A 220 -2.998 -3.324 0.216 1.00 0.20 C ATOM 243 CG LEU A 220 -4.168 -3.526 1.174 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.789 -4.901 0.979 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.715 -3.342 2.615 1.00 0.27 C ATOM 0 H LEU A 220 -4.238 -1.214 0.595 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.661 -1.973 1.217 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.359 -3.443 -0.806 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.265 -4.112 0.389 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.926 -2.775 0.954 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.622 -5.026 1.671 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -5.151 -4.995 -0.045 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -4.040 -5.669 1.171 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.562 -3.490 3.284 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.938 -4.070 2.848 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.320 -2.335 2.746 1.00 0.27 H new ATOM 257 N SER A 221 -2.088 -1.358 -1.991 1.00 0.20 N ATOM 258 CA SER A 221 -1.387 -1.088 -3.240 1.00 0.25 C ATOM 259 C SER A 221 -0.279 -0.069 -3.008 1.00 0.28 C ATOM 260 O SER A 221 0.817 -0.191 -3.553 1.00 0.33 O ATOM 261 CB SER A 221 -2.360 -0.573 -4.303 1.00 0.27 C ATOM 262 OG SER A 221 -3.386 -1.517 -4.554 1.00 1.14 O ATOM 0 H SER A 221 -3.099 -1.230 -2.038 1.00 0.20 H new ATOM 0 HA SER A 221 -0.945 -2.018 -3.597 1.00 0.25 H new ATOM 0 HB2 SER A 221 -2.800 0.368 -3.973 1.00 0.27 H new ATOM 0 HB3 SER A 221 -1.819 -0.365 -5.226 1.00 0.27 H new ATOM 0 HG SER A 221 -3.996 -1.164 -5.235 1.00 1.14 H new ATOM 268 N ALA A 222 -0.579 0.945 -2.208 1.00 0.28 N ATOM 269 CA ALA A 222 0.400 1.972 -1.886 1.00 0.32 C ATOM 270 C ALA A 222 1.464 1.423 -0.940 1.00 0.35 C ATOM 271 O ALA A 222 2.637 1.779 -1.035 1.00 0.38 O ATOM 272 CB ALA A 222 -0.280 3.187 -1.275 1.00 0.33 C ATOM 0 H ALA A 222 -1.491 1.078 -1.771 1.00 0.28 H new ATOM 0 HA ALA A 222 0.888 2.280 -2.811 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.469 3.944 -1.041 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -1.000 3.596 -1.984 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.797 2.894 -0.361 1.00 0.33 H new ATOM 278 N VAL A 223 1.042 0.550 -0.026 1.00 0.35 N ATOM 279 CA VAL A 223 1.954 -0.044 0.946 1.00 0.39 C ATOM 280 C VAL A 223 3.086 -0.805 0.259 1.00 0.40 C ATOM 281 O VAL A 223 4.258 -0.559 0.540 1.00 0.42 O ATOM 282 CB VAL A 223 1.217 -0.989 1.920 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.210 -1.666 2.853 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.171 -0.223 2.715 1.00 0.39 C ATOM 0 H VAL A 223 0.074 0.240 0.060 1.00 0.35 H new ATOM 0 HA VAL A 223 2.378 0.782 1.516 1.00 0.39 H new ATOM 0 HB VAL A 223 0.709 -1.759 1.340 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.676 -2.329 3.534 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.923 -2.246 2.267 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.743 -0.909 3.428 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.339 -0.904 3.396 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.656 0.568 3.288 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.555 0.217 2.032 1.00 0.39 H new ATOM 294 N ILE A 224 2.737 -1.730 -0.635 1.00 0.40 N ATOM 295 CA ILE A 224 3.751 -2.502 -1.347 1.00 0.42 C ATOM 296 C ILE A 224 4.680 -1.570 -2.113 1.00 0.39 C ATOM 297 O ILE A 224 5.859 -1.864 -2.299 1.00 0.39 O ATOM 298 CB ILE A 224 3.125 -3.531 -2.315 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.105 -2.861 -3.238 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.475 -4.661 -1.533 1.00 0.51 C ATOM 301 CD1 ILE A 224 2.694 -2.376 -4.546 1.00 0.46 C ATOM 0 H ILE A 224 1.774 -1.960 -0.880 1.00 0.40 H new ATOM 0 HA ILE A 224 4.321 -3.055 -0.600 1.00 0.42 H new ATOM 0 HB ILE A 224 3.919 -3.947 -2.935 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.302 -3.567 -3.451 1.00 0.46 H new ATOM 0 HG13 ILE A 224 1.656 -2.016 -2.716 1.00 0.46 H new ATOM 0 HG21 ILE A 224 2.038 -5.379 -2.227 1.00 0.51 H new ATOM 0 HG22 ILE A 224 3.227 -5.159 -0.921 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.694 -4.256 -0.890 1.00 0.51 H new ATOM 0 HD11 ILE A 224 1.912 -1.913 -5.148 1.00 0.46 H new ATOM 0 HD12 ILE A 224 3.477 -1.645 -4.344 1.00 0.46 H new ATOM 0 HD13 ILE A 224 3.117 -3.221 -5.090 1.00 0.46 H new ATOM 313 N CYS A 225 4.134 -0.445 -2.558 1.00 0.38 N ATOM 314 CA CYS A 225 4.911 0.551 -3.281 1.00 0.36 C ATOM 315 C CYS A 225 5.947 1.186 -2.357 1.00 0.34 C ATOM 316 O CYS A 225 7.049 1.532 -2.781 1.00 0.34 O ATOM 317 CB CYS A 225 3.986 1.625 -3.860 1.00 0.36 C ATOM 318 SG CYS A 225 3.038 1.085 -5.302 1.00 1.36 S ATOM 0 H CYS A 225 3.152 -0.200 -2.430 1.00 0.38 H new ATOM 0 HA CYS A 225 5.432 0.059 -4.102 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.293 1.949 -3.084 1.00 0.36 H new ATOM 0 HB3 CYS A 225 4.584 2.494 -4.136 1.00 0.36 H new ATOM 0 HG CYS A 225 1.954 0.485 -4.909 1.00 1.36 H new ATOM 324 N LEU A 226 5.574 1.332 -1.088 1.00 0.35 N ATOM 325 CA LEU A 226 6.447 1.931 -0.084 1.00 0.35 C ATOM 326 C LEU A 226 7.620 1.021 0.278 1.00 0.31 C ATOM 327 O LEU A 226 8.768 1.464 0.312 1.00 0.29 O ATOM 328 CB LEU A 226 5.645 2.264 1.179 1.00 0.40 C ATOM 329 CG LEU A 226 5.166 3.716 1.284 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.274 4.080 0.107 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.430 3.936 2.597 1.00 0.51 C ATOM 0 H LEU A 226 4.665 1.041 -0.729 1.00 0.35 H new ATOM 0 HA LEU A 226 6.857 2.844 -0.516 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.776 1.608 1.222 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.259 2.037 2.050 1.00 0.40 H new ATOM 0 HG LEU A 226 6.040 4.366 1.260 1.00 0.46 H new ATOM 0 HD11 LEU A 226 3.947 5.115 0.205 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.831 3.962 -0.822 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.403 3.424 0.094 1.00 0.44 H new ATOM 0 HD21 LEU A 226 4.096 4.972 2.658 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.567 3.273 2.646 1.00 0.51 H new ATOM 0 HD23 LEU A 226 5.100 3.722 3.430 1.00 0.51 H new ATOM 343 N ILE A 227 7.331 -0.248 0.551 1.00 0.33 N ATOM 344 CA ILE A 227 8.370 -1.203 0.928 1.00 0.31 C ATOM 345 C ILE A 227 9.466 -1.303 -0.131 1.00 0.25 C ATOM 346 O ILE A 227 10.636 -1.476 0.203 1.00 0.22 O ATOM 347 CB ILE A 227 7.800 -2.609 1.204 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.161 -3.197 -0.052 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.791 -2.547 2.341 1.00 0.45 C ATOM 350 CD1 ILE A 227 7.111 -4.710 -0.048 1.00 0.46 C ATOM 0 H ILE A 227 6.389 -0.639 0.519 1.00 0.33 H new ATOM 0 HA ILE A 227 8.804 -0.817 1.850 1.00 0.31 H new ATOM 0 HB ILE A 227 8.621 -3.263 1.497 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.148 -2.807 -0.152 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.719 -2.861 -0.926 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.393 -3.544 2.529 1.00 0.45 H new ATOM 0 HG22 ILE A 227 7.280 -2.175 3.241 1.00 0.45 H new ATOM 0 HG23 ILE A 227 5.976 -1.877 2.068 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.645 -5.061 -0.969 1.00 0.46 H new ATOM 0 HD12 ILE A 227 8.124 -5.107 0.021 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.528 -5.053 0.807 1.00 0.46 H new ATOM 362 N ILE A 228 9.090 -1.205 -1.403 1.00 0.24 N ATOM 363 CA ILE A 228 10.059 -1.295 -2.489 1.00 0.21 C ATOM 364 C ILE A 228 11.075 -0.169 -2.384 1.00 0.17 C ATOM 365 O ILE A 228 12.262 -0.354 -2.654 1.00 0.17 O ATOM 366 CB ILE A 228 9.374 -1.227 -3.869 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.378 -2.379 -4.020 1.00 0.29 C ATOM 368 CG2 ILE A 228 10.411 -1.267 -4.983 1.00 0.27 C ATOM 369 CD1 ILE A 228 7.453 -2.221 -5.206 1.00 0.36 C ATOM 0 H ILE A 228 8.126 -1.064 -1.705 1.00 0.24 H new ATOM 0 HA ILE A 228 10.560 -2.259 -2.397 1.00 0.21 H new ATOM 0 HB ILE A 228 8.831 -0.285 -3.943 1.00 0.26 H new ATOM 0 HG12 ILE A 228 8.928 -3.315 -4.120 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.781 -2.455 -3.111 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.909 -1.218 -5.949 1.00 0.27 H new ATOM 0 HG22 ILE A 228 11.087 -0.418 -4.882 1.00 0.27 H new ATOM 0 HG23 ILE A 228 10.981 -2.194 -4.917 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.774 -3.072 -5.253 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.877 -1.302 -5.098 1.00 0.36 H new ATOM 0 HD13 ILE A 228 8.041 -2.175 -6.123 1.00 0.36 H new ATOM 381 N VAL A 229 10.592 0.998 -1.984 1.00 0.17 N ATOM 382 CA VAL A 229 11.433 2.171 -1.826 1.00 0.18 C ATOM 383 C VAL A 229 12.553 1.911 -0.822 1.00 0.14 C ATOM 384 O VAL A 229 13.722 2.178 -1.100 1.00 0.17 O ATOM 385 CB VAL A 229 10.597 3.378 -1.364 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.491 4.560 -1.019 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.583 3.762 -2.431 1.00 0.30 C ATOM 0 H VAL A 229 9.609 1.156 -1.761 1.00 0.17 H new ATOM 0 HA VAL A 229 11.877 2.393 -2.796 1.00 0.18 H new ATOM 0 HB VAL A 229 10.056 3.093 -0.462 1.00 0.24 H new ATOM 0 HG11 VAL A 229 10.876 5.399 -0.696 1.00 0.27 H new ATOM 0 HG12 VAL A 229 12.172 4.279 -0.216 1.00 0.27 H new ATOM 0 HG13 VAL A 229 12.067 4.850 -1.898 1.00 0.27 H new ATOM 0 HG21 VAL A 229 9.000 4.617 -2.088 1.00 0.30 H new ATOM 0 HG22 VAL A 229 10.105 4.024 -3.351 1.00 0.30 H new ATOM 0 HG23 VAL A 229 8.916 2.920 -2.619 1.00 0.30 H new ATOM 397 N TRP A 230 12.186 1.389 0.345 1.00 0.14 N ATOM 398 CA TRP A 230 13.158 1.093 1.391 1.00 0.16 C ATOM 399 C TRP A 230 14.006 -0.114 1.017 1.00 0.12 C ATOM 400 O TRP A 230 15.208 -0.147 1.269 1.00 0.17 O ATOM 401 CB TRP A 230 12.451 0.829 2.722 1.00 0.24 C ATOM 402 CG TRP A 230 12.068 2.077 3.454 1.00 0.32 C ATOM 403 CD1 TRP A 230 12.914 2.991 4.015 1.00 0.35 C ATOM 404 CD2 TRP A 230 10.740 2.546 3.712 1.00 0.40 C ATOM 405 NE1 TRP A 230 12.193 4.000 4.604 1.00 0.43 N ATOM 406 CE2 TRP A 230 10.858 3.751 4.432 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.466 2.067 3.404 1.00 0.44 C ATOM 408 CZ2 TRP A 230 9.747 4.480 4.848 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.363 2.792 3.817 1.00 0.54 C ATOM 410 CH2 TRP A 230 8.510 3.986 4.533 1.00 0.59 C ATOM 0 H TRP A 230 11.222 1.162 0.589 1.00 0.14 H new ATOM 0 HA TRP A 230 13.808 1.961 1.497 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.555 0.237 2.537 1.00 0.24 H new ATOM 0 HB3 TRP A 230 13.103 0.230 3.358 1.00 0.24 H new ATOM 0 HD1 TRP A 230 13.992 2.929 3.998 1.00 0.35 H new ATOM 0 HE1 TRP A 230 12.588 4.805 5.091 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.343 1.146 2.853 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 9.857 5.402 5.399 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.372 2.431 3.583 1.00 0.54 H new ATOM 0 HH2 TRP A 230 7.629 4.529 4.843 1.00 0.59 H new ATOM 421 N ALA A 231 13.365 -1.100 0.410 1.00 0.11 N ATOM 422 CA ALA A 231 14.036 -2.326 0.001 1.00 0.16 C ATOM 423 C ALA A 231 15.094 -2.060 -1.063 1.00 0.20 C ATOM 424 O ALA A 231 15.858 -2.953 -1.428 1.00 0.29 O ATOM 425 CB ALA A 231 13.010 -3.322 -0.511 1.00 0.20 C ATOM 0 H ALA A 231 12.370 -1.075 0.187 1.00 0.11 H new ATOM 0 HA ALA A 231 14.545 -2.742 0.870 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.514 -4.239 -0.817 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.295 -3.547 0.280 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.483 -2.896 -1.365 1.00 0.20 H new ATOM 431 N VAL A 232 15.126 -0.833 -1.561 1.00 0.21 N ATOM 432 CA VAL A 232 16.098 -0.442 -2.574 1.00 0.33 C ATOM 433 C VAL A 232 16.998 0.668 -2.035 1.00 0.39 C ATOM 434 O VAL A 232 17.934 1.123 -2.692 1.00 0.50 O ATOM 435 CB VAL A 232 15.395 0.004 -3.873 1.00 0.37 C ATOM 436 CG1 VAL A 232 16.384 0.610 -4.857 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.677 -1.182 -4.498 1.00 0.37 C ATOM 0 H VAL A 232 14.488 -0.088 -1.280 1.00 0.21 H new ATOM 0 HA VAL A 232 16.716 -1.308 -2.813 1.00 0.33 H new ATOM 0 HB VAL A 232 14.666 0.775 -3.625 1.00 0.37 H new ATOM 0 HG11 VAL A 232 15.857 0.914 -5.762 1.00 0.51 H new ATOM 0 HG12 VAL A 232 16.860 1.480 -4.405 1.00 0.51 H new ATOM 0 HG13 VAL A 232 17.144 -0.129 -5.111 1.00 0.51 H new ATOM 0 HG21 VAL A 232 14.181 -0.865 -5.415 1.00 0.37 H new ATOM 0 HG22 VAL A 232 15.400 -1.965 -4.728 1.00 0.37 H new ATOM 0 HG23 VAL A 232 13.935 -1.568 -3.799 1.00 0.37 H new ATOM 447 N ALA A 233 16.730 1.058 -0.799 1.00 0.33 N ATOM 448 CA ALA A 233 17.512 2.083 -0.130 1.00 0.41 C ATOM 449 C ALA A 233 18.159 1.460 1.095 1.00 0.44 C ATOM 450 O ALA A 233 18.918 2.095 1.826 1.00 0.52 O ATOM 451 CB ALA A 233 16.638 3.266 0.259 1.00 0.37 C ATOM 0 H ALA A 233 15.970 0.676 -0.236 1.00 0.33 H new ATOM 0 HA ALA A 233 18.281 2.462 -0.803 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.247 4.020 0.758 1.00 0.37 H new ATOM 0 HB2 ALA A 233 16.189 3.697 -0.636 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.851 2.930 0.934 1.00 0.37 H new ATOM 457 N LEU A 234 17.821 0.191 1.296 1.00 0.39 N ATOM 458 CA LEU A 234 18.342 -0.619 2.383 1.00 0.46 C ATOM 459 C LEU A 234 19.066 -1.812 1.778 1.00 0.53 C ATOM 460 O LEU A 234 19.464 -2.746 2.474 1.00 0.60 O ATOM 461 CB LEU A 234 17.200 -1.118 3.276 1.00 0.42 C ATOM 462 CG LEU A 234 16.714 -0.156 4.364 1.00 0.43 C ATOM 463 CD1 LEU A 234 16.416 1.221 3.791 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.476 -0.727 5.036 1.00 0.45 C ATOM 0 H LEU A 234 17.165 -0.309 0.696 1.00 0.39 H new ATOM 0 HA LEU A 234 19.021 -0.022 2.993 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.352 -1.368 2.638 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.521 -2.042 3.756 1.00 0.42 H new ATOM 0 HG LEU A 234 17.508 -0.043 5.103 1.00 0.43 H new ATOM 0 HD11 LEU A 234 16.073 1.880 4.588 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.321 1.632 3.344 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.640 1.138 3.030 1.00 0.39 H new ATOM 0 HD21 LEU A 234 15.133 -0.040 5.810 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.689 -0.861 4.294 1.00 0.45 H new ATOM 0 HD23 LEU A 234 15.718 -1.690 5.487 1.00 0.45 H new ATOM 476 N LYS A 235 19.222 -1.757 0.457 1.00 0.53 N ATOM 477 CA LYS A 235 19.860 -2.819 -0.298 1.00 0.61 C ATOM 478 C LYS A 235 21.161 -2.340 -0.937 1.00 0.74 C ATOM 479 O LYS A 235 21.815 -3.086 -1.668 1.00 0.82 O ATOM 480 CB LYS A 235 18.900 -3.311 -1.381 1.00 0.54 C ATOM 481 CG LYS A 235 18.502 -4.772 -1.250 1.00 0.55 C ATOM 482 CD LYS A 235 18.016 -5.101 0.148 1.00 0.53 C ATOM 483 CE LYS A 235 16.676 -5.800 0.115 1.00 0.49 C ATOM 484 NZ LYS A 235 16.332 -6.416 1.425 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.908 -0.973 -0.115 1.00 0.53 H new ATOM 0 HA LYS A 235 20.102 -3.633 0.385 1.00 0.61 H new ATOM 0 HB2 LYS A 235 17.999 -2.698 -1.357 1.00 0.54 H new ATOM 0 HB3 LYS A 235 19.363 -3.159 -2.356 1.00 0.54 H new ATOM 0 HG2 LYS A 235 17.717 -5.001 -1.971 1.00 0.55 H new ATOM 0 HG3 LYS A 235 19.355 -5.404 -1.496 1.00 0.55 H new ATOM 0 HD2 LYS A 235 18.747 -5.736 0.649 1.00 0.53 H new ATOM 0 HD3 LYS A 235 17.936 -4.184 0.732 1.00 0.53 H new ATOM 0 HE2 LYS A 235 15.902 -5.085 -0.163 1.00 0.49 H new ATOM 0 HE3 LYS A 235 16.689 -6.571 -0.655 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 15.406 -6.884 1.356 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 17.056 -7.118 1.680 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 16.293 -5.678 2.156 1.00 0.56 H new ATOM 498 N GLY A 236 21.531 -1.092 -0.660 1.00 1.13 N ATOM 499 CA GLY A 236 22.751 -0.542 -1.218 1.00 1.30 C ATOM 500 C GLY A 236 22.837 0.959 -1.064 1.00 1.58 C ATOM 501 O GLY A 236 23.146 1.677 -2.015 1.00 1.97 O ATOM 0 H GLY A 236 21.008 -0.454 -0.060 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.609 -1.003 -0.730 1.00 1.30 H new ATOM 0 HA3 GLY A 236 22.810 -0.799 -2.276 1.00 1.30 H new ATOM 505 N TYR A 237 22.562 1.426 0.138 1.00 1.55 N ATOM 506 CA TYR A 237 22.604 2.853 0.441 1.00 1.93 C ATOM 507 C TYR A 237 24.042 3.370 0.456 1.00 2.68 C ATOM 508 O TYR A 237 24.282 4.561 0.655 1.00 3.13 O ATOM 509 CB TYR A 237 21.936 3.136 1.791 1.00 1.48 C ATOM 510 CG TYR A 237 22.728 2.646 2.983 1.00 1.63 C ATOM 511 CD1 TYR A 237 22.830 1.290 3.266 1.00 2.15 C ATOM 512 CD2 TYR A 237 23.372 3.544 3.826 1.00 2.12 C ATOM 513 CE1 TYR A 237 23.553 0.842 4.355 1.00 2.91 C ATOM 514 CE2 TYR A 237 24.096 3.103 4.918 1.00 2.76 C ATOM 515 CZ TYR A 237 24.184 1.752 5.178 1.00 3.10 C ATOM 516 OH TYR A 237 24.903 1.309 6.264 1.00 4.00 O ATOM 0 H TYR A 237 22.305 0.837 0.930 1.00 1.55 H new ATOM 0 HA TYR A 237 22.057 3.375 -0.344 1.00 1.93 H new ATOM 0 HB2 TYR A 237 21.778 4.210 1.889 1.00 1.48 H new ATOM 0 HB3 TYR A 237 20.952 2.667 1.804 1.00 1.48 H new ATOM 0 HD1 TYR A 237 22.336 0.575 2.625 1.00 2.15 H new ATOM 0 HD2 TYR A 237 23.306 4.603 3.625 1.00 2.12 H new ATOM 0 HE1 TYR A 237 23.624 -0.216 4.561 1.00 2.91 H new ATOM 0 HE2 TYR A 237 24.590 3.813 5.564 1.00 2.76 H new ATOM 0 HH TYR A 237 25.285 2.077 6.739 1.00 4.00 H new ATOM 526 N SER A 238 24.995 2.466 0.247 1.00 3.04 N ATOM 527 CA SER A 238 26.406 2.834 0.235 1.00 3.95 C ATOM 528 C SER A 238 26.772 3.546 -1.063 1.00 4.58 C ATOM 529 O SER A 238 27.850 4.132 -1.178 1.00 5.29 O ATOM 530 CB SER A 238 27.282 1.591 0.408 1.00 4.49 C ATOM 531 OG SER A 238 28.659 1.929 0.394 1.00 4.96 O ATOM 0 H SER A 238 24.816 1.475 0.084 1.00 3.04 H new ATOM 0 HA SER A 238 26.583 3.515 1.067 1.00 3.95 H new ATOM 0 HB2 SER A 238 27.036 1.097 1.348 1.00 4.49 H new ATOM 0 HB3 SER A 238 27.071 0.880 -0.391 1.00 4.49 H new ATOM 0 HG SER A 238 28.777 2.805 -0.030 1.00 4.96 H new ATOM 537 N MET A 239 25.869 3.494 -2.036 1.00 4.61 N ATOM 538 CA MET A 239 26.097 4.134 -3.327 1.00 5.54 C ATOM 539 C MET A 239 25.074 5.238 -3.580 1.00 5.88 C ATOM 540 O MET A 239 24.623 5.435 -4.709 1.00 6.64 O ATOM 541 CB MET A 239 26.032 3.095 -4.447 1.00 5.96 C ATOM 542 CG MET A 239 26.972 1.920 -4.239 1.00 6.04 C ATOM 543 SD MET A 239 26.873 0.709 -5.570 1.00 6.88 S ATOM 544 CE MET A 239 28.014 -0.539 -4.979 1.00 6.96 C ATOM 0 H MET A 239 24.972 3.015 -1.956 1.00 4.61 H new ATOM 0 HA MET A 239 27.089 4.585 -3.312 1.00 5.54 H new ATOM 0 HB2 MET A 239 25.011 2.723 -4.528 1.00 5.96 H new ATOM 0 HB3 MET A 239 26.271 3.578 -5.394 1.00 5.96 H new ATOM 0 HG2 MET A 239 27.995 2.287 -4.162 1.00 6.04 H new ATOM 0 HG3 MET A 239 26.736 1.434 -3.292 1.00 6.04 H new ATOM 0 HE1 MET A 239 28.062 -1.358 -5.697 1.00 6.96 H new ATOM 0 HE2 MET A 239 29.005 -0.100 -4.862 1.00 6.96 H new ATOM 0 HE3 MET A 239 27.670 -0.920 -4.017 1.00 6.96 H new ATOM 554 N VAL A 240 24.713 5.957 -2.521 1.00 5.58 N ATOM 555 CA VAL A 240 23.746 7.044 -2.626 1.00 6.19 C ATOM 556 C VAL A 240 24.252 8.149 -3.550 1.00 7.44 C ATOM 557 O VAL A 240 24.996 9.030 -3.070 1.00 7.88 O ATOM 558 CB VAL A 240 23.418 7.641 -1.244 1.00 5.82 C ATOM 559 CG1 VAL A 240 22.399 6.776 -0.517 1.00 4.89 C ATOM 560 CG2 VAL A 240 24.682 7.794 -0.412 1.00 5.70 C ATOM 561 OXT VAL A 240 23.900 8.124 -4.748 1.00 8.12 O ATOM 0 H VAL A 240 25.076 5.806 -1.580 1.00 5.58 H new ATOM 0 HA VAL A 240 22.836 6.618 -3.049 1.00 6.19 H new ATOM 0 HB VAL A 240 22.985 8.630 -1.392 1.00 5.82 H new ATOM 0 HG11 VAL A 240 22.180 7.213 0.457 1.00 4.89 H new ATOM 0 HG12 VAL A 240 21.483 6.721 -1.105 1.00 4.89 H new ATOM 0 HG13 VAL A 240 22.804 5.773 -0.382 1.00 4.89 H new ATOM 0 HG21 VAL A 240 24.429 8.217 0.560 1.00 5.70 H new ATOM 0 HG22 VAL A 240 25.146 6.818 -0.273 1.00 5.70 H new ATOM 0 HG23 VAL A 240 25.378 8.457 -0.926 1.00 5.70 H new TER 571 VAL A 240