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 161:sc= -0.124 (180deg=-0.581) USER MOD Single : A 209 ASN : amide:sc= -0.943 K(o=-0.94,f=0) USER MOD Single : A 211 THR OG1 : rot 73:sc= 0.411 USER MOD Single : A 212 THR OG1 : rot 180:sc= 0.00331 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 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= -0.139 USER MOD Single : A 239 MET CE :methyl -165:sc= -0.0675 (180deg=-0.38) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 204 -21.897 5.055 -10.295 1.00 11.27 N ATOM 2 CA GLY A 204 -21.458 3.911 -9.447 1.00 10.74 C ATOM 3 C GLY A 204 -21.604 4.196 -7.966 1.00 10.08 C ATOM 4 O GLY A 204 -22.614 4.752 -7.534 1.00 10.33 O ATOM 0 HA2 GLY A 204 -22.043 3.028 -9.703 1.00 10.74 H new ATOM 0 HA3 GLY A 204 -20.416 3.678 -9.668 1.00 10.74 H new ATOM 10 N SER A 205 -20.593 3.816 -7.191 1.00 9.44 N ATOM 11 CA SER A 205 -20.606 4.030 -5.746 1.00 8.98 C ATOM 12 C SER A 205 -21.842 3.397 -5.111 1.00 8.39 C ATOM 13 O SER A 205 -22.422 3.947 -4.175 1.00 8.34 O ATOM 14 CB SER A 205 -20.563 5.528 -5.433 1.00 9.23 C ATOM 15 OG SER A 205 -19.389 6.126 -5.955 1.00 10.03 O ATOM 0 H SER A 205 -19.752 3.357 -7.540 1.00 9.44 H new ATOM 0 HA SER A 205 -19.722 3.552 -5.324 1.00 8.98 H new ATOM 0 HB2 SER A 205 -21.442 6.016 -5.855 1.00 9.23 H new ATOM 0 HB3 SER A 205 -20.602 5.678 -4.354 1.00 9.23 H new ATOM 0 HG SER A 205 -19.387 7.083 -5.743 1.00 10.03 H new ATOM 21 N PHE A 206 -22.238 2.238 -5.628 1.00 8.19 N ATOM 22 CA PHE A 206 -23.404 1.528 -5.114 1.00 7.85 C ATOM 23 C PHE A 206 -23.100 0.880 -3.766 1.00 7.28 C ATOM 24 O PHE A 206 -21.971 0.460 -3.511 1.00 7.58 O ATOM 25 CB PHE A 206 -23.865 0.463 -6.114 1.00 8.48 C ATOM 26 CG PHE A 206 -22.845 -0.612 -6.368 1.00 8.90 C ATOM 27 CD1 PHE A 206 -21.796 -0.399 -7.248 1.00 9.52 C ATOM 28 CD2 PHE A 206 -22.937 -1.836 -5.725 1.00 8.94 C ATOM 29 CE1 PHE A 206 -20.859 -1.388 -7.482 1.00 10.16 C ATOM 30 CE2 PHE A 206 -22.003 -2.827 -5.955 1.00 9.58 C ATOM 31 CZ PHE A 206 -20.962 -2.602 -6.835 1.00 10.18 C ATOM 0 H PHE A 206 -21.768 1.770 -6.403 1.00 8.19 H new ATOM 0 HA PHE A 206 -24.204 2.254 -4.974 1.00 7.85 H new ATOM 0 HB2 PHE A 206 -24.781 0.002 -5.743 1.00 8.48 H new ATOM 0 HB3 PHE A 206 -24.112 0.947 -7.059 1.00 8.48 H new ATOM 0 HD1 PHE A 206 -21.710 0.550 -7.756 1.00 9.52 H new ATOM 0 HD2 PHE A 206 -23.749 -2.017 -5.036 1.00 8.94 H new ATOM 0 HE1 PHE A 206 -20.047 -1.210 -8.171 1.00 10.16 H new ATOM 0 HE2 PHE A 206 -22.086 -3.777 -5.448 1.00 9.58 H new ATOM 0 HZ PHE A 206 -20.230 -3.375 -7.016 1.00 10.18 H new ATOM 41 N THR A 207 -24.117 0.803 -2.910 1.00 6.75 N ATOM 42 CA THR A 207 -23.969 0.207 -1.586 1.00 6.52 C ATOM 43 C THR A 207 -22.898 0.926 -0.771 1.00 5.52 C ATOM 44 O THR A 207 -21.709 0.629 -0.888 1.00 5.53 O ATOM 45 CB THR A 207 -23.615 -1.288 -1.678 1.00 7.16 C ATOM 46 OG1 THR A 207 -24.549 -1.962 -2.530 1.00 7.94 O ATOM 47 CG2 THR A 207 -23.630 -1.930 -0.300 1.00 7.52 C ATOM 0 H THR A 207 -25.056 1.148 -3.112 1.00 6.75 H new ATOM 0 HA THR A 207 -24.931 0.313 -1.085 1.00 6.52 H new ATOM 0 HB THR A 207 -22.612 -1.376 -2.096 1.00 7.16 H new ATOM 0 HG1 THR A 207 -24.315 -2.912 -2.584 1.00 7.94 H new ATOM 0 HG21 THR A 207 -23.377 -2.987 -0.388 1.00 7.52 H new ATOM 0 HG22 THR A 207 -22.900 -1.434 0.340 1.00 7.52 H new ATOM 0 HG23 THR A 207 -24.623 -1.830 0.137 1.00 7.52 H new ATOM 55 N MET A 208 -23.329 1.873 0.058 1.00 4.97 N ATOM 56 CA MET A 208 -22.410 2.635 0.895 1.00 4.29 C ATOM 57 C MET A 208 -22.091 1.872 2.179 1.00 3.61 C ATOM 58 O MET A 208 -22.577 2.215 3.257 1.00 3.96 O ATOM 59 CB MET A 208 -23.007 4.004 1.229 1.00 4.65 C ATOM 60 CG MET A 208 -22.048 4.925 1.967 1.00 5.27 C ATOM 61 SD MET A 208 -20.555 5.279 1.018 1.00 5.92 S ATOM 62 CE MET A 208 -21.251 6.099 -0.414 1.00 6.74 C ATOM 0 H MET A 208 -24.310 2.130 0.167 1.00 4.97 H new ATOM 0 HA MET A 208 -21.483 2.781 0.341 1.00 4.29 H new ATOM 0 HB2 MET A 208 -23.323 4.488 0.305 1.00 4.65 H new ATOM 0 HB3 MET A 208 -23.901 3.862 1.837 1.00 4.65 H new ATOM 0 HG2 MET A 208 -22.556 5.861 2.200 1.00 5.27 H new ATOM 0 HG3 MET A 208 -21.770 4.468 2.917 1.00 5.27 H new ATOM 0 HE1 MET A 208 -20.473 6.669 -0.921 1.00 6.74 H new ATOM 0 HE2 MET A 208 -21.659 5.354 -1.097 1.00 6.74 H new ATOM 0 HE3 MET A 208 -22.046 6.773 -0.096 1.00 6.74 H new ATOM 72 N ASN A 209 -21.272 0.835 2.050 1.00 3.19 N ATOM 73 CA ASN A 209 -20.883 0.016 3.192 1.00 3.10 C ATOM 74 C ASN A 209 -19.684 -0.857 2.844 1.00 2.76 C ATOM 75 O ASN A 209 -18.589 -0.670 3.376 1.00 3.19 O ATOM 76 CB ASN A 209 -22.054 -0.864 3.636 1.00 3.66 C ATOM 77 CG ASN A 209 -21.714 -1.726 4.838 1.00 4.37 C ATOM 78 OD1 ASN A 209 -22.208 -2.844 4.973 1.00 4.83 O ATOM 79 ND2 ASN A 209 -20.870 -1.205 5.722 1.00 4.91 N ATOM 0 H ASN A 209 -20.863 0.541 1.163 1.00 3.19 H new ATOM 0 HA ASN A 209 -20.605 0.681 4.010 1.00 3.10 H new ATOM 0 HB2 ASN A 209 -22.908 -0.231 3.877 1.00 3.66 H new ATOM 0 HB3 ASN A 209 -22.356 -1.505 2.808 1.00 3.66 H new ATOM 0 HD21 ASN A 209 -20.608 -1.737 6.552 1.00 4.91 H new ATOM 0 HD22 ASN A 209 -20.484 -0.273 5.570 1.00 4.91 H new ATOM 86 N ASP A 210 -19.902 -1.812 1.946 1.00 2.20 N ATOM 87 CA ASP A 210 -18.847 -2.717 1.516 1.00 1.85 C ATOM 88 C ASP A 210 -17.795 -1.975 0.702 1.00 1.67 C ATOM 89 O ASP A 210 -16.730 -2.514 0.405 1.00 1.70 O ATOM 90 CB ASP A 210 -19.437 -3.852 0.684 1.00 1.87 C ATOM 91 CG ASP A 210 -20.114 -4.908 1.537 1.00 2.29 C ATOM 92 OD1 ASP A 210 -19.400 -5.767 2.096 1.00 2.54 O1- ATOM 93 OD2 ASP A 210 -21.358 -4.874 1.647 1.00 2.79 O ATOM 0 H ASP A 210 -20.805 -1.978 1.501 1.00 2.20 H new ATOM 0 HA ASP A 210 -18.370 -3.131 2.404 1.00 1.85 H new ATOM 0 HB2 ASP A 210 -20.159 -3.443 -0.022 1.00 1.87 H new ATOM 0 HB3 ASP A 210 -18.645 -4.317 0.097 1.00 1.87 H new ATOM 98 N THR A 211 -18.108 -0.738 0.338 1.00 1.54 N ATOM 99 CA THR A 211 -17.192 0.089 -0.442 1.00 1.39 C ATOM 100 C THR A 211 -15.840 0.220 0.250 1.00 1.19 C ATOM 101 O THR A 211 -14.799 -0.040 -0.353 1.00 1.05 O ATOM 102 CB THR A 211 -17.770 1.498 -0.679 1.00 1.44 C ATOM 103 OG1 THR A 211 -18.995 1.408 -1.417 1.00 1.62 O ATOM 104 CG2 THR A 211 -16.779 2.373 -1.436 1.00 1.34 C ATOM 0 H THR A 211 -18.991 -0.283 0.570 1.00 1.54 H new ATOM 0 HA THR A 211 -17.059 -0.410 -1.402 1.00 1.39 H new ATOM 0 HB THR A 211 -17.963 1.954 0.292 1.00 1.44 H new ATOM 0 HG1 THR A 211 -19.704 1.066 -0.833 1.00 1.62 H new ATOM 0 HG21 THR A 211 -17.211 3.362 -1.591 1.00 1.34 H new ATOM 0 HG22 THR A 211 -15.859 2.465 -0.858 1.00 1.34 H new ATOM 0 HG23 THR A 211 -16.557 1.919 -2.402 1.00 1.34 H new ATOM 112 N THR A 212 -15.866 0.615 1.521 1.00 1.20 N ATOM 113 CA THR A 212 -14.644 0.797 2.299 1.00 1.06 C ATOM 114 C THR A 212 -13.749 -0.436 2.236 1.00 0.95 C ATOM 115 O THR A 212 -12.529 -0.329 2.354 1.00 0.80 O ATOM 116 CB THR A 212 -14.962 1.107 3.772 1.00 1.16 C ATOM 117 OG1 THR A 212 -15.970 2.121 3.855 1.00 1.30 O ATOM 118 CG2 THR A 212 -13.714 1.569 4.512 1.00 1.05 C ATOM 0 H THR A 212 -16.724 0.816 2.035 1.00 1.20 H new ATOM 0 HA THR A 212 -14.117 1.642 1.856 1.00 1.06 H new ATOM 0 HB THR A 212 -15.326 0.192 4.239 1.00 1.16 H new ATOM 0 HG1 THR A 212 -16.167 2.310 4.796 1.00 1.30 H new ATOM 0 HG21 THR A 212 -13.965 1.782 5.551 1.00 1.05 H new ATOM 0 HG22 THR A 212 -12.958 0.785 4.475 1.00 1.05 H new ATOM 0 HG23 THR A 212 -13.325 2.471 4.041 1.00 1.05 H new ATOM 126 N VAL A 213 -14.359 -1.605 2.052 1.00 1.07 N ATOM 127 CA VAL A 213 -13.604 -2.851 1.970 1.00 1.04 C ATOM 128 C VAL A 213 -12.549 -2.767 0.872 1.00 0.87 C ATOM 129 O VAL A 213 -11.427 -3.244 1.039 1.00 0.79 O ATOM 130 CB VAL A 213 -14.525 -4.058 1.708 1.00 1.21 C ATOM 131 CG1 VAL A 213 -13.719 -5.347 1.638 1.00 1.21 C ATOM 132 CG2 VAL A 213 -15.596 -4.152 2.784 1.00 1.41 C ATOM 0 H VAL A 213 -15.369 -1.714 1.957 1.00 1.07 H new ATOM 0 HA VAL A 213 -13.115 -2.996 2.933 1.00 1.04 H new ATOM 0 HB VAL A 213 -15.015 -3.913 0.745 1.00 1.21 H new ATOM 0 HG11 VAL A 213 -14.390 -6.186 1.452 1.00 1.21 H new ATOM 0 HG12 VAL A 213 -12.992 -5.278 0.829 1.00 1.21 H new ATOM 0 HG13 VAL A 213 -13.197 -5.502 2.583 1.00 1.21 H new ATOM 0 HG21 VAL A 213 -16.238 -5.010 2.584 1.00 1.41 H new ATOM 0 HG22 VAL A 213 -15.123 -4.272 3.759 1.00 1.41 H new ATOM 0 HG23 VAL A 213 -16.195 -3.242 2.781 1.00 1.41 H new ATOM 142 N TRP A 214 -12.917 -2.157 -0.251 1.00 0.85 N ATOM 143 CA TRP A 214 -11.994 -1.997 -1.365 1.00 0.74 C ATOM 144 C TRP A 214 -10.981 -0.904 -1.051 1.00 0.59 C ATOM 145 O TRP A 214 -9.821 -0.985 -1.454 1.00 0.51 O ATOM 146 CB TRP A 214 -12.747 -1.653 -2.650 1.00 0.83 C ATOM 147 CG TRP A 214 -13.878 -2.589 -2.951 1.00 1.03 C ATOM 148 CD1 TRP A 214 -15.172 -2.472 -2.534 1.00 1.21 C ATOM 149 CD2 TRP A 214 -13.815 -3.786 -3.736 1.00 1.11 C ATOM 150 NE1 TRP A 214 -15.919 -3.522 -3.010 1.00 1.37 N ATOM 151 CE2 TRP A 214 -15.108 -4.342 -3.751 1.00 1.31 C ATOM 152 CE3 TRP A 214 -12.792 -4.441 -4.427 1.00 1.09 C ATOM 153 CZ2 TRP A 214 -15.404 -5.521 -4.431 1.00 1.45 C ATOM 154 CZ3 TRP A 214 -13.087 -5.611 -5.101 1.00 1.26 C ATOM 155 CH2 TRP A 214 -14.384 -6.141 -5.099 1.00 1.42 C ATOM 0 H TRP A 214 -13.846 -1.767 -0.411 1.00 0.85 H new ATOM 0 HA TRP A 214 -11.471 -2.941 -1.513 1.00 0.74 H new ATOM 0 HB2 TRP A 214 -13.137 -0.638 -2.572 1.00 0.83 H new ATOM 0 HB3 TRP A 214 -12.047 -1.662 -3.485 1.00 0.83 H new ATOM 0 HD1 TRP A 214 -15.553 -1.670 -1.919 1.00 1.21 H new ATOM 0 HE1 TRP A 214 -16.914 -3.668 -2.840 1.00 1.37 H new ATOM 0 HE3 TRP A 214 -11.789 -4.040 -4.434 1.00 1.09 H new ATOM 0 HZ2 TRP A 214 -16.403 -5.931 -4.431 1.00 1.45 H new ATOM 0 HZ3 TRP A 214 -12.304 -6.126 -5.638 1.00 1.26 H new ATOM 0 HH2 TRP A 214 -14.582 -7.057 -5.635 1.00 1.42 H new ATOM 166 N ILE A 215 -11.433 0.124 -0.331 1.00 0.61 N ATOM 167 CA ILE A 215 -10.562 1.228 0.054 1.00 0.53 C ATOM 168 C ILE A 215 -9.378 0.698 0.852 1.00 0.42 C ATOM 169 O ILE A 215 -8.246 1.154 0.685 1.00 0.33 O ATOM 170 CB ILE A 215 -11.319 2.292 0.886 1.00 0.64 C ATOM 171 CG1 ILE A 215 -12.181 3.176 -0.023 1.00 0.76 C ATOM 172 CG2 ILE A 215 -10.345 3.153 1.682 1.00 0.60 C ATOM 173 CD1 ILE A 215 -13.299 2.436 -0.720 1.00 0.91 C ATOM 0 H ILE A 215 -12.395 0.212 -0.005 1.00 0.61 H new ATOM 0 HA ILE A 215 -10.208 1.707 -0.859 1.00 0.53 H new ATOM 0 HB ILE A 215 -11.970 1.769 1.586 1.00 0.64 H new ATOM 0 HG12 ILE A 215 -12.609 3.983 0.572 1.00 0.76 H new ATOM 0 HG13 ILE A 215 -11.542 3.639 -0.775 1.00 0.76 H new ATOM 0 HG21 ILE A 215 -10.901 3.893 2.258 1.00 0.60 H new ATOM 0 HG22 ILE A 215 -9.771 2.521 2.360 1.00 0.60 H new ATOM 0 HG23 ILE A 215 -9.666 3.661 0.998 1.00 0.60 H new ATOM 0 HD11 ILE A 215 -13.862 3.131 -1.344 1.00 0.91 H new ATOM 0 HD12 ILE A 215 -12.879 1.647 -1.344 1.00 0.91 H new ATOM 0 HD13 ILE A 215 -13.963 1.996 0.024 1.00 0.91 H new ATOM 185 N SER A 216 -9.649 -0.271 1.723 1.00 0.46 N ATOM 186 CA SER A 216 -8.603 -0.884 2.525 1.00 0.40 C ATOM 187 C SER A 216 -7.578 -1.531 1.604 1.00 0.29 C ATOM 188 O SER A 216 -6.382 -1.539 1.889 1.00 0.24 O ATOM 189 CB SER A 216 -9.196 -1.927 3.475 1.00 0.49 C ATOM 190 OG SER A 216 -8.184 -2.550 4.246 1.00 1.35 O ATOM 0 H SER A 216 -10.583 -0.645 1.888 1.00 0.46 H new ATOM 0 HA SER A 216 -8.116 -0.116 3.126 1.00 0.40 H new ATOM 0 HB2 SER A 216 -9.920 -1.451 4.136 1.00 0.49 H new ATOM 0 HB3 SER A 216 -9.736 -2.680 2.901 1.00 0.49 H new ATOM 0 HG SER A 216 -8.590 -3.211 4.846 1.00 1.35 H new ATOM 196 N VAL A 217 -8.074 -2.072 0.494 1.00 0.31 N ATOM 197 CA VAL A 217 -7.228 -2.710 -0.501 1.00 0.26 C ATOM 198 C VAL A 217 -6.491 -1.652 -1.315 1.00 0.19 C ATOM 199 O VAL A 217 -5.379 -1.878 -1.795 1.00 0.19 O ATOM 200 CB VAL A 217 -8.063 -3.599 -1.445 1.00 0.38 C ATOM 201 CG1 VAL A 217 -7.197 -4.170 -2.557 1.00 0.40 C ATOM 202 CG2 VAL A 217 -8.738 -4.713 -0.662 1.00 0.48 C ATOM 0 H VAL A 217 -9.068 -2.079 0.263 1.00 0.31 H new ATOM 0 HA VAL A 217 -6.505 -3.338 0.020 1.00 0.26 H new ATOM 0 HB VAL A 217 -8.836 -2.982 -1.904 1.00 0.38 H new ATOM 0 HG11 VAL A 217 -7.808 -4.794 -3.210 1.00 0.40 H new ATOM 0 HG12 VAL A 217 -6.763 -3.354 -3.136 1.00 0.40 H new ATOM 0 HG13 VAL A 217 -6.398 -4.772 -2.124 1.00 0.40 H new ATOM 0 HG21 VAL A 217 -9.324 -5.332 -1.342 1.00 0.48 H new ATOM 0 HG22 VAL A 217 -7.980 -5.326 -0.175 1.00 0.48 H new ATOM 0 HG23 VAL A 217 -9.395 -4.281 0.093 1.00 0.48 H new ATOM 212 N ALA A 218 -7.126 -0.495 -1.458 1.00 0.21 N ATOM 213 CA ALA A 218 -6.553 0.618 -2.202 1.00 0.21 C ATOM 214 C ALA A 218 -5.225 1.046 -1.593 1.00 0.14 C ATOM 215 O ALA A 218 -4.248 1.291 -2.302 1.00 0.18 O ATOM 216 CB ALA A 218 -7.526 1.788 -2.213 1.00 0.27 C ATOM 0 H ALA A 218 -8.047 -0.303 -1.064 1.00 0.21 H new ATOM 0 HA ALA A 218 -6.371 0.294 -3.227 1.00 0.21 H new ATOM 0 HB1 ALA A 218 -7.091 2.617 -2.771 1.00 0.27 H new ATOM 0 HB2 ALA A 218 -8.459 1.481 -2.686 1.00 0.27 H new ATOM 0 HB3 ALA A 218 -7.726 2.105 -1.189 1.00 0.27 H new ATOM 222 N VAL A 219 -5.202 1.131 -0.268 1.00 0.10 N ATOM 223 CA VAL A 219 -4.005 1.534 0.452 1.00 0.14 C ATOM 224 C VAL A 219 -2.881 0.518 0.272 1.00 0.17 C ATOM 225 O VAL A 219 -1.722 0.893 0.113 1.00 0.25 O ATOM 226 CB VAL A 219 -4.295 1.720 1.953 1.00 0.19 C ATOM 227 CG1 VAL A 219 -3.087 2.307 2.664 1.00 0.27 C ATOM 228 CG2 VAL A 219 -5.515 2.605 2.150 1.00 0.20 C ATOM 0 H VAL A 219 -6.003 0.925 0.329 1.00 0.10 H new ATOM 0 HA VAL A 219 -3.686 2.488 0.033 1.00 0.14 H new ATOM 0 HB VAL A 219 -4.503 0.742 2.388 1.00 0.19 H new ATOM 0 HG11 VAL A 219 -3.313 2.430 3.723 1.00 0.27 H new ATOM 0 HG12 VAL A 219 -2.236 1.635 2.550 1.00 0.27 H new ATOM 0 HG13 VAL A 219 -2.845 3.277 2.229 1.00 0.27 H new ATOM 0 HG21 VAL A 219 -5.708 2.727 3.216 1.00 0.20 H new ATOM 0 HG22 VAL A 219 -5.333 3.581 1.700 1.00 0.20 H new ATOM 0 HG23 VAL A 219 -6.381 2.142 1.676 1.00 0.20 H new ATOM 238 N LEU A 220 -3.232 -0.768 0.294 1.00 0.15 N ATOM 239 CA LEU A 220 -2.241 -1.832 0.129 1.00 0.20 C ATOM 240 C LEU A 220 -1.450 -1.628 -1.151 1.00 0.21 C ATOM 241 O LEU A 220 -0.232 -1.810 -1.177 1.00 0.26 O ATOM 242 CB LEU A 220 -2.917 -3.204 0.101 1.00 0.20 C ATOM 243 CG LEU A 220 -4.068 -3.377 1.089 1.00 0.21 C ATOM 244 CD1 LEU A 220 -4.623 -4.791 1.023 1.00 0.27 C ATOM 245 CD2 LEU A 220 -3.612 -3.047 2.504 1.00 0.27 C ATOM 0 H LEU A 220 -4.189 -1.097 0.424 1.00 0.15 H new ATOM 0 HA LEU A 220 -1.561 -1.792 0.980 1.00 0.20 H new ATOM 0 HB2 LEU A 220 -3.292 -3.387 -0.906 1.00 0.20 H new ATOM 0 HB3 LEU A 220 -2.165 -3.967 0.305 1.00 0.20 H new ATOM 0 HG LEU A 220 -4.863 -2.684 0.813 1.00 0.21 H new ATOM 0 HD11 LEU A 220 -5.442 -4.894 1.735 1.00 0.27 H new ATOM 0 HD12 LEU A 220 -4.989 -4.991 0.016 1.00 0.27 H new ATOM 0 HD13 LEU A 220 -3.836 -5.503 1.271 1.00 0.27 H new ATOM 0 HD21 LEU A 220 -4.446 -3.176 3.194 1.00 0.27 H new ATOM 0 HD22 LEU A 220 -2.798 -3.714 2.789 1.00 0.27 H new ATOM 0 HD23 LEU A 220 -3.265 -2.014 2.543 1.00 0.27 H new ATOM 257 N SER A 221 -2.153 -1.253 -2.213 1.00 0.20 N ATOM 258 CA SER A 221 -1.514 -1.010 -3.500 1.00 0.25 C ATOM 259 C SER A 221 -0.386 0.000 -3.336 1.00 0.28 C ATOM 260 O SER A 221 0.679 -0.138 -3.932 1.00 0.33 O ATOM 261 CB SER A 221 -2.535 -0.500 -4.519 1.00 0.27 C ATOM 262 OG SER A 221 -3.577 -1.441 -4.712 1.00 1.14 O ATOM 0 H SER A 221 -3.163 -1.111 -2.208 1.00 0.20 H new ATOM 0 HA SER A 221 -1.101 -1.949 -3.868 1.00 0.25 H new ATOM 0 HB2 SER A 221 -2.954 0.446 -4.176 1.00 0.27 H new ATOM 0 HB3 SER A 221 -2.038 -0.303 -5.469 1.00 0.27 H new ATOM 0 HG SER A 221 -4.217 -1.091 -5.366 1.00 1.14 H new ATOM 268 N ALA A 222 -0.641 1.031 -2.540 1.00 0.28 N ATOM 269 CA ALA A 222 0.360 2.053 -2.271 1.00 0.32 C ATOM 270 C ALA A 222 1.449 1.513 -1.345 1.00 0.35 C ATOM 271 O ALA A 222 2.624 1.846 -1.491 1.00 0.38 O ATOM 272 CB ALA A 222 -0.292 3.286 -1.662 1.00 0.33 C ATOM 0 H ALA A 222 -1.534 1.181 -2.070 1.00 0.28 H new ATOM 0 HA ALA A 222 0.824 2.335 -3.216 1.00 0.32 H new ATOM 0 HB1 ALA A 222 0.469 4.041 -1.467 1.00 0.33 H new ATOM 0 HB2 ALA A 222 -1.031 3.687 -2.356 1.00 0.33 H new ATOM 0 HB3 ALA A 222 -0.782 3.014 -0.727 1.00 0.33 H new ATOM 278 N VAL A 223 1.041 0.669 -0.399 1.00 0.35 N ATOM 279 CA VAL A 223 1.964 0.086 0.572 1.00 0.39 C ATOM 280 C VAL A 223 3.100 -0.679 -0.105 1.00 0.40 C ATOM 281 O VAL A 223 4.267 -0.494 0.243 1.00 0.42 O ATOM 282 CB VAL A 223 1.226 -0.855 1.550 1.00 0.41 C ATOM 283 CG1 VAL A 223 2.215 -1.604 2.430 1.00 0.49 C ATOM 284 CG2 VAL A 223 0.244 -0.066 2.403 1.00 0.39 C ATOM 0 H VAL A 223 0.072 0.373 -0.284 1.00 0.35 H new ATOM 0 HA VAL A 223 2.393 0.919 1.128 1.00 0.39 H new ATOM 0 HB VAL A 223 0.669 -1.588 0.966 1.00 0.41 H new ATOM 0 HG11 VAL A 223 1.672 -2.260 3.110 1.00 0.49 H new ATOM 0 HG12 VAL A 223 2.880 -2.200 1.805 1.00 0.49 H new ATOM 0 HG13 VAL A 223 2.803 -0.890 3.007 1.00 0.49 H new ATOM 0 HG21 VAL A 223 -0.269 -0.742 3.087 1.00 0.39 H new ATOM 0 HG22 VAL A 223 0.784 0.689 2.975 1.00 0.39 H new ATOM 0 HG23 VAL A 223 -0.488 0.422 1.759 1.00 0.39 H new ATOM 294 N ILE A 224 2.765 -1.539 -1.064 1.00 0.40 N ATOM 295 CA ILE A 224 3.781 -2.318 -1.763 1.00 0.42 C ATOM 296 C ILE A 224 4.823 -1.403 -2.395 1.00 0.39 C ATOM 297 O ILE A 224 6.006 -1.734 -2.449 1.00 0.39 O ATOM 298 CB ILE A 224 3.167 -3.227 -2.847 1.00 0.45 C ATOM 299 CG1 ILE A 224 2.508 -2.395 -3.948 1.00 0.46 C ATOM 300 CG2 ILE A 224 2.158 -4.183 -2.226 1.00 0.51 C ATOM 301 CD1 ILE A 224 3.353 -2.265 -5.197 1.00 0.46 C ATOM 0 H ILE A 224 1.808 -1.712 -1.372 1.00 0.40 H new ATOM 0 HA ILE A 224 4.260 -2.954 -1.018 1.00 0.42 H new ATOM 0 HB ILE A 224 3.970 -3.810 -3.298 1.00 0.45 H new ATOM 0 HG12 ILE A 224 1.552 -2.848 -4.212 1.00 0.46 H new ATOM 0 HG13 ILE A 224 2.293 -1.399 -3.560 1.00 0.46 H new ATOM 0 HG21 ILE A 224 1.733 -4.818 -3.003 1.00 0.51 H new ATOM 0 HG22 ILE A 224 2.656 -4.804 -1.481 1.00 0.51 H new ATOM 0 HG23 ILE A 224 1.362 -3.612 -1.748 1.00 0.51 H new ATOM 0 HD11 ILE A 224 2.822 -1.662 -5.934 1.00 0.46 H new ATOM 0 HD12 ILE A 224 4.299 -1.784 -4.948 1.00 0.46 H new ATOM 0 HD13 ILE A 224 3.547 -3.255 -5.610 1.00 0.46 H new ATOM 313 N CYS A 225 4.372 -0.252 -2.878 1.00 0.38 N ATOM 314 CA CYS A 225 5.264 0.723 -3.493 1.00 0.36 C ATOM 315 C CYS A 225 6.224 1.299 -2.457 1.00 0.34 C ATOM 316 O CYS A 225 7.394 1.548 -2.748 1.00 0.34 O ATOM 317 CB CYS A 225 4.453 1.851 -4.134 1.00 0.36 C ATOM 318 SG CYS A 225 5.457 3.098 -4.977 1.00 1.36 S ATOM 0 H CYS A 225 3.392 0.030 -2.856 1.00 0.38 H new ATOM 0 HA CYS A 225 5.844 0.218 -4.265 1.00 0.36 H new ATOM 0 HB2 CYS A 225 3.753 1.419 -4.850 1.00 0.36 H new ATOM 0 HB3 CYS A 225 3.858 2.340 -3.362 1.00 0.36 H new ATOM 0 HG CYS A 225 4.681 4.007 -5.488 1.00 1.36 H new ATOM 324 N LEU A 226 5.716 1.504 -1.245 1.00 0.35 N ATOM 325 CA LEU A 226 6.515 2.056 -0.155 1.00 0.35 C ATOM 326 C LEU A 226 7.628 1.101 0.267 1.00 0.31 C ATOM 327 O LEU A 226 8.795 1.488 0.328 1.00 0.29 O ATOM 328 CB LEU A 226 5.620 2.378 1.045 1.00 0.40 C ATOM 329 CG LEU A 226 5.053 3.800 1.077 1.00 0.46 C ATOM 330 CD1 LEU A 226 4.161 4.053 -0.130 1.00 0.44 C ATOM 331 CD2 LEU A 226 4.284 4.037 2.367 1.00 0.51 C ATOM 0 H LEU A 226 4.750 1.295 -0.992 1.00 0.35 H new ATOM 0 HA LEU A 226 6.980 2.973 -0.517 1.00 0.35 H new ATOM 0 HB2 LEU A 226 4.789 1.673 1.057 1.00 0.40 H new ATOM 0 HB3 LEU A 226 6.192 2.212 1.958 1.00 0.40 H new ATOM 0 HG LEU A 226 5.887 4.501 1.037 1.00 0.46 H new ATOM 0 HD11 LEU A 226 3.769 5.069 -0.086 1.00 0.44 H new ATOM 0 HD12 LEU A 226 4.741 3.927 -1.044 1.00 0.44 H new ATOM 0 HD13 LEU A 226 3.333 3.344 -0.125 1.00 0.44 H new ATOM 0 HD21 LEU A 226 3.888 5.052 2.373 1.00 0.51 H new ATOM 0 HD22 LEU A 226 3.461 3.326 2.436 1.00 0.51 H new ATOM 0 HD23 LEU A 226 4.951 3.903 3.218 1.00 0.51 H new ATOM 343 N ILE A 227 7.266 -0.145 0.558 1.00 0.33 N ATOM 344 CA ILE A 227 8.243 -1.143 0.982 1.00 0.31 C ATOM 345 C ILE A 227 9.373 -1.290 -0.031 1.00 0.25 C ATOM 346 O ILE A 227 10.518 -1.518 0.344 1.00 0.22 O ATOM 347 CB ILE A 227 7.601 -2.522 1.234 1.00 0.38 C ATOM 348 CG1 ILE A 227 7.011 -3.095 -0.056 1.00 0.38 C ATOM 349 CG2 ILE A 227 6.532 -2.411 2.309 1.00 0.45 C ATOM 350 CD1 ILE A 227 6.834 -4.597 -0.020 1.00 0.46 C ATOM 0 H ILE A 227 6.306 -0.487 0.508 1.00 0.33 H new ATOM 0 HA ILE A 227 8.653 -0.778 1.924 1.00 0.31 H new ATOM 0 HB ILE A 227 8.377 -3.206 1.579 1.00 0.38 H new ATOM 0 HG12 ILE A 227 6.045 -2.627 -0.244 1.00 0.38 H new ATOM 0 HG13 ILE A 227 7.660 -2.833 -0.892 1.00 0.38 H new ATOM 0 HG21 ILE A 227 6.085 -3.390 2.480 1.00 0.45 H new ATOM 0 HG22 ILE A 227 6.982 -2.052 3.234 1.00 0.45 H new ATOM 0 HG23 ILE A 227 5.761 -1.711 1.985 1.00 0.45 H new ATOM 0 HD11 ILE A 227 6.412 -4.936 -0.966 1.00 0.46 H new ATOM 0 HD12 ILE A 227 7.802 -5.074 0.137 1.00 0.46 H new ATOM 0 HD13 ILE A 227 6.161 -4.865 0.795 1.00 0.46 H new ATOM 362 N ILE A 228 9.043 -1.169 -1.316 1.00 0.24 N ATOM 363 CA ILE A 228 10.042 -1.292 -2.372 1.00 0.21 C ATOM 364 C ILE A 228 11.091 -0.199 -2.235 1.00 0.17 C ATOM 365 O ILE A 228 12.281 -0.431 -2.444 1.00 0.17 O ATOM 366 CB ILE A 228 9.396 -1.207 -3.770 1.00 0.26 C ATOM 367 CG1 ILE A 228 8.494 -2.418 -4.009 1.00 0.29 C ATOM 368 CG2 ILE A 228 10.464 -1.114 -4.852 1.00 0.27 C ATOM 369 CD1 ILE A 228 7.543 -2.241 -5.173 1.00 0.36 C ATOM 0 H ILE A 228 8.096 -0.987 -1.648 1.00 0.24 H new ATOM 0 HA ILE A 228 10.513 -2.269 -2.267 1.00 0.21 H new ATOM 0 HB ILE A 228 8.787 -0.304 -3.816 1.00 0.26 H new ATOM 0 HG12 ILE A 228 9.116 -3.295 -4.188 1.00 0.29 H new ATOM 0 HG13 ILE A 228 7.917 -2.616 -3.105 1.00 0.29 H new ATOM 0 HG21 ILE A 228 9.987 -1.055 -5.830 1.00 0.27 H new ATOM 0 HG22 ILE A 228 11.070 -0.223 -4.689 1.00 0.27 H new ATOM 0 HG23 ILE A 228 11.101 -1.998 -4.812 1.00 0.27 H new ATOM 0 HD11 ILE A 228 6.934 -3.138 -5.285 1.00 0.36 H new ATOM 0 HD12 ILE A 228 6.896 -1.384 -4.987 1.00 0.36 H new ATOM 0 HD13 ILE A 228 8.113 -2.074 -6.087 1.00 0.36 H new ATOM 381 N VAL A 229 10.631 0.992 -1.878 1.00 0.17 N ATOM 382 CA VAL A 229 11.511 2.134 -1.695 1.00 0.18 C ATOM 383 C VAL A 229 12.589 1.827 -0.658 1.00 0.14 C ATOM 384 O VAL A 229 13.777 2.045 -0.898 1.00 0.17 O ATOM 385 CB VAL A 229 10.705 3.370 -1.250 1.00 0.24 C ATOM 386 CG1 VAL A 229 11.630 4.521 -0.882 1.00 0.27 C ATOM 387 CG2 VAL A 229 9.732 3.789 -2.343 1.00 0.30 C ATOM 0 H VAL A 229 9.645 1.192 -1.709 1.00 0.17 H new ATOM 0 HA VAL A 229 11.991 2.344 -2.651 1.00 0.18 H new ATOM 0 HB VAL A 229 10.134 3.103 -0.361 1.00 0.24 H new ATOM 0 HG11 VAL A 229 11.036 5.380 -0.572 1.00 0.27 H new ATOM 0 HG12 VAL A 229 12.282 4.216 -0.064 1.00 0.27 H new ATOM 0 HG13 VAL A 229 12.236 4.792 -1.747 1.00 0.27 H new ATOM 0 HG21 VAL A 229 9.170 4.663 -2.014 1.00 0.30 H new ATOM 0 HG22 VAL A 229 10.286 4.034 -3.249 1.00 0.30 H new ATOM 0 HG23 VAL A 229 9.042 2.971 -2.549 1.00 0.30 H new ATOM 397 N TRP A 230 12.163 1.320 0.495 1.00 0.14 N ATOM 398 CA TRP A 230 13.083 0.977 1.574 1.00 0.16 C ATOM 399 C TRP A 230 13.881 -0.274 1.230 1.00 0.12 C ATOM 400 O TRP A 230 15.064 -0.378 1.541 1.00 0.17 O ATOM 401 CB TRP A 230 12.315 0.759 2.878 1.00 0.24 C ATOM 402 CG TRP A 230 11.958 2.032 3.582 1.00 0.32 C ATOM 403 CD1 TRP A 230 12.811 2.869 4.244 1.00 0.35 C ATOM 404 CD2 TRP A 230 10.654 2.612 3.701 1.00 0.40 C ATOM 405 NE1 TRP A 230 12.117 3.935 4.764 1.00 0.43 N ATOM 406 CE2 TRP A 230 10.791 3.800 4.445 1.00 0.46 C ATOM 407 CE3 TRP A 230 9.383 2.243 3.251 1.00 0.44 C ATOM 408 CZ2 TRP A 230 9.706 4.619 4.747 1.00 0.56 C ATOM 409 CZ3 TRP A 230 8.307 3.057 3.551 1.00 0.54 C ATOM 410 CH2 TRP A 230 8.475 4.233 4.293 1.00 0.59 C ATOM 0 H TRP A 230 11.182 1.137 0.706 1.00 0.14 H new ATOM 0 HA TRP A 230 13.777 1.808 1.702 1.00 0.16 H new ATOM 0 HB2 TRP A 230 11.402 0.203 2.664 1.00 0.24 H new ATOM 0 HB3 TRP A 230 12.916 0.141 3.545 1.00 0.24 H new ATOM 0 HD1 TRP A 230 13.875 2.715 4.344 1.00 0.35 H new ATOM 0 HE1 TRP A 230 12.523 4.702 5.300 1.00 0.43 H new ATOM 0 HE3 TRP A 230 9.244 1.338 2.679 1.00 0.44 H new ATOM 0 HZ2 TRP A 230 9.832 5.526 5.319 1.00 0.56 H new ATOM 0 HZ3 TRP A 230 7.321 2.782 3.208 1.00 0.54 H new ATOM 0 HH2 TRP A 230 7.614 4.848 4.511 1.00 0.59 H new ATOM 421 N ALA A 231 13.215 -1.219 0.584 1.00 0.11 N ATOM 422 CA ALA A 231 13.829 -2.484 0.199 1.00 0.16 C ATOM 423 C ALA A 231 14.941 -2.285 -0.823 1.00 0.20 C ATOM 424 O ALA A 231 15.649 -3.229 -1.173 1.00 0.29 O ATOM 425 CB ALA A 231 12.769 -3.420 -0.350 1.00 0.20 C ATOM 0 H ALA A 231 12.236 -1.133 0.312 1.00 0.11 H new ATOM 0 HA ALA A 231 14.280 -2.925 1.088 1.00 0.16 H new ATOM 0 HB1 ALA A 231 13.231 -4.365 -0.637 1.00 0.20 H new ATOM 0 HB2 ALA A 231 12.014 -3.603 0.414 1.00 0.20 H new ATOM 0 HB3 ALA A 231 12.299 -2.966 -1.223 1.00 0.20 H new ATOM 431 N VAL A 232 15.081 -1.059 -1.308 1.00 0.21 N ATOM 432 CA VAL A 232 16.114 -0.734 -2.282 1.00 0.33 C ATOM 433 C VAL A 232 17.077 0.299 -1.701 1.00 0.39 C ATOM 434 O VAL A 232 18.071 0.681 -2.320 1.00 0.50 O ATOM 435 CB VAL A 232 15.498 -0.224 -3.599 1.00 0.37 C ATOM 436 CG1 VAL A 232 16.571 0.296 -4.542 1.00 0.51 C ATOM 437 CG2 VAL A 232 14.700 -1.339 -4.256 1.00 0.37 C ATOM 0 H VAL A 232 14.490 -0.271 -1.042 1.00 0.21 H new ATOM 0 HA VAL A 232 16.669 -1.644 -2.508 1.00 0.33 H new ATOM 0 HB VAL A 232 14.830 0.607 -3.372 1.00 0.37 H new ATOM 0 HG11 VAL A 232 16.106 0.649 -5.463 1.00 0.51 H new ATOM 0 HG12 VAL A 232 17.106 1.119 -4.067 1.00 0.51 H new ATOM 0 HG13 VAL A 232 17.272 -0.506 -4.774 1.00 0.51 H new ATOM 0 HG21 VAL A 232 14.265 -0.975 -5.187 1.00 0.37 H new ATOM 0 HG22 VAL A 232 15.358 -2.182 -4.467 1.00 0.37 H new ATOM 0 HG23 VAL A 232 13.903 -1.660 -3.585 1.00 0.37 H new ATOM 447 N ALA A 233 16.793 0.706 -0.476 1.00 0.33 N ATOM 448 CA ALA A 233 17.625 1.663 0.229 1.00 0.41 C ATOM 449 C ALA A 233 18.175 0.988 1.472 1.00 0.44 C ATOM 450 O ALA A 233 18.982 1.547 2.215 1.00 0.52 O ATOM 451 CB ALA A 233 16.825 2.906 0.593 1.00 0.37 C ATOM 0 H ALA A 233 15.984 0.384 0.055 1.00 0.33 H new ATOM 0 HA ALA A 233 18.447 1.984 -0.410 1.00 0.41 H new ATOM 0 HB1 ALA A 233 17.468 3.611 1.121 1.00 0.37 H new ATOM 0 HB2 ALA A 233 16.444 3.373 -0.316 1.00 0.37 H new ATOM 0 HB3 ALA A 233 15.990 2.626 1.235 1.00 0.37 H new ATOM 457 N LEU A 234 17.707 -0.240 1.668 1.00 0.39 N ATOM 458 CA LEU A 234 18.113 -1.088 2.775 1.00 0.46 C ATOM 459 C LEU A 234 18.738 -2.354 2.204 1.00 0.53 C ATOM 460 O LEU A 234 18.988 -3.323 2.920 1.00 0.60 O ATOM 461 CB LEU A 234 16.898 -1.467 3.631 1.00 0.42 C ATOM 462 CG LEU A 234 16.443 -0.438 4.670 1.00 0.43 C ATOM 463 CD1 LEU A 234 16.340 0.953 4.067 1.00 0.39 C ATOM 464 CD2 LEU A 234 15.103 -0.860 5.252 1.00 0.45 C ATOM 0 H LEU A 234 17.024 -0.678 1.050 1.00 0.39 H new ATOM 0 HA LEU A 234 18.828 -0.554 3.401 1.00 0.46 H new ATOM 0 HB2 LEU A 234 16.061 -1.670 2.963 1.00 0.42 H new ATOM 0 HB3 LEU A 234 17.124 -2.398 4.150 1.00 0.42 H new ATOM 0 HG LEU A 234 17.190 -0.399 5.463 1.00 0.43 H new ATOM 0 HD11 LEU A 234 16.015 1.658 4.832 1.00 0.39 H new ATOM 0 HD12 LEU A 234 17.314 1.257 3.684 1.00 0.39 H new ATOM 0 HD13 LEU A 234 15.617 0.943 3.251 1.00 0.39 H new ATOM 0 HD21 LEU A 234 14.780 -0.127 5.991 1.00 0.45 H new ATOM 0 HD22 LEU A 234 14.363 -0.921 4.454 1.00 0.45 H new ATOM 0 HD23 LEU A 234 15.204 -1.835 5.728 1.00 0.45 H new ATOM 476 N LYS A 235 18.984 -2.321 0.896 1.00 0.53 N ATOM 477 CA LYS A 235 19.550 -3.450 0.183 1.00 0.61 C ATOM 478 C LYS A 235 20.937 -3.123 -0.360 1.00 0.74 C ATOM 479 O LYS A 235 21.689 -4.017 -0.751 1.00 0.82 O ATOM 480 CB LYS A 235 18.623 -3.839 -0.967 1.00 0.54 C ATOM 481 CG LYS A 235 18.069 -5.249 -0.873 1.00 0.55 C ATOM 482 CD LYS A 235 17.443 -5.520 0.481 1.00 0.53 C ATOM 483 CE LYS A 235 16.039 -6.066 0.340 1.00 0.49 C ATOM 484 NZ LYS A 235 15.518 -6.611 1.624 1.00 0.56 N1+ ATOM 0 H LYS A 235 18.795 -1.510 0.307 1.00 0.53 H new ATOM 0 HA LYS A 235 19.649 -4.283 0.879 1.00 0.61 H new ATOM 0 HB2 LYS A 235 17.791 -3.136 -1.001 1.00 0.54 H new ATOM 0 HB3 LYS A 235 19.166 -3.736 -1.907 1.00 0.54 H new ATOM 0 HG2 LYS A 235 17.324 -5.399 -1.654 1.00 0.55 H new ATOM 0 HG3 LYS A 235 18.869 -5.967 -1.053 1.00 0.55 H new ATOM 0 HD2 LYS A 235 18.058 -6.231 1.032 1.00 0.53 H new ATOM 0 HD3 LYS A 235 17.420 -4.599 1.064 1.00 0.53 H new ATOM 0 HE2 LYS A 235 15.377 -5.275 -0.013 1.00 0.49 H new ATOM 0 HE3 LYS A 235 16.030 -6.851 -0.417 1.00 0.49 H new ATOM 0 HZ1 LYS A 235 14.554 -6.974 1.481 1.00 0.56 H new ATOM 0 HZ2 LYS A 235 16.134 -7.383 1.949 1.00 0.56 H new ATOM 0 HZ3 LYS A 235 15.501 -5.857 2.340 1.00 0.56 H new ATOM 498 N GLY A 236 21.270 -1.837 -0.380 1.00 1.13 N ATOM 499 CA GLY A 236 22.566 -1.415 -0.876 1.00 1.30 C ATOM 500 C GLY A 236 22.535 -0.033 -1.480 1.00 1.58 C ATOM 501 O GLY A 236 22.860 0.154 -2.653 1.00 1.97 O ATOM 0 H GLY A 236 20.665 -1.080 -0.062 1.00 1.13 H new ATOM 0 HA2 GLY A 236 23.287 -1.434 -0.059 1.00 1.30 H new ATOM 0 HA3 GLY A 236 22.914 -2.127 -1.625 1.00 1.30 H new ATOM 505 N TYR A 237 22.143 0.933 -0.673 1.00 1.55 N ATOM 506 CA TYR A 237 22.065 2.318 -1.119 1.00 1.93 C ATOM 507 C TYR A 237 23.459 2.867 -1.399 1.00 2.68 C ATOM 508 O TYR A 237 23.649 3.674 -2.309 1.00 3.13 O ATOM 509 CB TYR A 237 21.350 3.183 -0.074 1.00 1.48 C ATOM 510 CG TYR A 237 22.134 3.383 1.207 1.00 1.63 C ATOM 511 CD1 TYR A 237 22.123 2.422 2.209 1.00 2.15 C ATOM 512 CD2 TYR A 237 22.882 4.535 1.412 1.00 2.12 C ATOM 513 CE1 TYR A 237 22.836 2.602 3.379 1.00 2.91 C ATOM 514 CE2 TYR A 237 23.598 4.724 2.578 1.00 2.76 C ATOM 515 CZ TYR A 237 23.572 3.755 3.558 1.00 3.10 C ATOM 516 OH TYR A 237 24.284 3.939 4.721 1.00 4.00 O ATOM 0 H TYR A 237 21.872 0.788 0.299 1.00 1.55 H new ATOM 0 HA TYR A 237 21.488 2.348 -2.043 1.00 1.93 H new ATOM 0 HB2 TYR A 237 21.135 4.158 -0.511 1.00 1.48 H new ATOM 0 HB3 TYR A 237 20.392 2.724 0.168 1.00 1.48 H new ATOM 0 HD1 TYR A 237 21.547 1.518 2.072 1.00 2.15 H new ATOM 0 HD2 TYR A 237 22.904 5.296 0.646 1.00 2.12 H new ATOM 0 HE1 TYR A 237 22.817 1.845 4.149 1.00 2.91 H new ATOM 0 HE2 TYR A 237 24.175 5.626 2.721 1.00 2.76 H new ATOM 0 HH TYR A 237 24.748 4.801 4.687 1.00 4.00 H new ATOM 526 N SER A 238 24.430 2.421 -0.608 1.00 3.04 N ATOM 527 CA SER A 238 25.812 2.852 -0.766 1.00 3.95 C ATOM 528 C SER A 238 26.767 1.807 -0.199 1.00 4.58 C ATOM 529 O SER A 238 27.437 1.093 -0.945 1.00 5.29 O ATOM 530 CB SER A 238 26.027 4.192 -0.067 1.00 4.49 C ATOM 531 OG SER A 238 27.380 4.605 -0.156 1.00 4.96 O ATOM 0 H SER A 238 24.282 1.758 0.153 1.00 3.04 H new ATOM 0 HA SER A 238 26.018 2.969 -1.830 1.00 3.95 H new ATOM 0 HB2 SER A 238 25.383 4.947 -0.517 1.00 4.49 H new ATOM 0 HB3 SER A 238 25.737 4.109 0.981 1.00 4.49 H new ATOM 0 HG SER A 238 27.490 5.466 0.298 1.00 4.96 H new ATOM 537 N MET A 239 26.821 1.723 1.128 1.00 4.61 N ATOM 538 CA MET A 239 27.690 0.767 1.804 1.00 5.54 C ATOM 539 C MET A 239 26.954 0.093 2.958 1.00 5.88 C ATOM 540 O MET A 239 27.385 0.166 4.110 1.00 6.64 O ATOM 541 CB MET A 239 28.945 1.470 2.323 1.00 5.96 C ATOM 542 CG MET A 239 29.640 2.317 1.271 1.00 6.04 C ATOM 543 SD MET A 239 31.192 3.024 1.856 1.00 6.88 S ATOM 544 CE MET A 239 30.605 4.096 3.164 1.00 6.96 C ATOM 0 H MET A 239 26.271 2.308 1.757 1.00 4.61 H new ATOM 0 HA MET A 239 27.983 0.001 1.086 1.00 5.54 H new ATOM 0 HB2 MET A 239 28.675 2.103 3.168 1.00 5.96 H new ATOM 0 HB3 MET A 239 29.644 0.721 2.696 1.00 5.96 H new ATOM 0 HG2 MET A 239 29.834 1.706 0.389 1.00 6.04 H new ATOM 0 HG3 MET A 239 28.974 3.122 0.961 1.00 6.04 H new ATOM 0 HE1 MET A 239 31.394 4.795 3.443 1.00 6.96 H new ATOM 0 HE2 MET A 239 29.734 4.652 2.816 1.00 6.96 H new ATOM 0 HE3 MET A 239 30.329 3.495 4.031 1.00 6.96 H new ATOM 554 N VAL A 240 25.840 -0.559 2.639 1.00 5.58 N ATOM 555 CA VAL A 240 25.037 -1.247 3.645 1.00 6.19 C ATOM 556 C VAL A 240 25.869 -2.266 4.422 1.00 7.44 C ATOM 557 O VAL A 240 26.370 -3.227 3.801 1.00 7.88 O ATOM 558 CB VAL A 240 23.818 -1.952 3.013 1.00 5.82 C ATOM 559 CG1 VAL A 240 22.804 -0.928 2.526 1.00 4.89 C ATOM 560 CG2 VAL A 240 24.249 -2.862 1.871 1.00 5.70 C ATOM 561 OXT VAL A 240 26.011 -2.094 5.651 1.00 8.12 O ATOM 0 H VAL A 240 25.472 -0.625 1.690 1.00 5.58 H new ATOM 0 HA VAL A 240 24.680 -0.483 4.336 1.00 6.19 H new ATOM 0 HB VAL A 240 23.347 -2.569 3.779 1.00 5.82 H new ATOM 0 HG11 VAL A 240 21.951 -1.443 2.083 1.00 4.89 H new ATOM 0 HG12 VAL A 240 22.466 -0.322 3.367 1.00 4.89 H new ATOM 0 HG13 VAL A 240 23.267 -0.284 1.778 1.00 4.89 H new ATOM 0 HG21 VAL A 240 23.372 -3.347 1.442 1.00 5.70 H new ATOM 0 HG22 VAL A 240 24.749 -2.271 1.103 1.00 5.70 H new ATOM 0 HG23 VAL A 240 24.935 -3.620 2.249 1.00 5.70 H new TER 571 VAL A 240