USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 479 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 NoAdj : A 203 GLNHE21 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD NoAdj : A 203 GLNHE22 : A 203 GLN OE1 : A 250 ZNZN :(metal ligand) USER MOD Set 1.1: A 212 CYS SG : rot 150:sc= -1.21 USER MOD Set 1.2: A 214 ASN : amide:sc= -0.0719 K(o=0.54,f=1.7) USER MOD Set 1.3: A 239 CYS SG : rot -74:sc= 0.941 USER MOD Set 1.4: A 242 CYS SG : rot 180:sc= 0.878 USER MOD Set 2.1: A 206 TYR OH : rot 180:sc= 0.125 USER MOD Set 2.2: A 209 MET CE :methyl -164:sc= -0.0514 (180deg=-0.651) USER MOD Set 3.1: A 199 CYS SG : rot -166:sc= 0.433 USER MOD Set 3.2: A 201 CYS SG : rot 119:sc= 0.0847 USER MOD Set 3.3: A 226 CYS SG : rot 131:sc= 0.76 USER MOD Single : A 187 MET CE :methyl -173:sc= 0 (180deg=-0.057) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 202 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 223 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-1.6) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 THR OG1 : rot 180:sc= 0 USER MOD Single : A 232 LYS NZ :NH3+ 162:sc= 0.259 (180deg=0.157) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 SER OG : rot 180:sc= 0 USER MOD Single : A 244 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.64) USER MOD Single : A 247 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 187 9.152 -1.995 -5.273 1.00 0.00 N ATOM 2 CA MET A 187 9.304 -2.087 -6.738 1.00 0.00 C ATOM 3 C MET A 187 10.031 -0.856 -7.281 1.00 0.00 C ATOM 4 O MET A 187 11.111 -0.994 -7.851 1.00 0.00 O ATOM 5 CB MET A 187 7.942 -2.311 -7.417 1.00 0.00 C ATOM 6 CG MET A 187 8.090 -2.528 -8.929 1.00 0.00 C ATOM 7 SD MET A 187 6.537 -2.819 -9.821 1.00 0.00 S ATOM 8 CE MET A 187 6.095 -4.468 -9.213 1.00 0.00 C ATOM 0 HA MET A 187 9.921 -2.954 -6.974 1.00 0.00 H new ATOM 0 HB2 MET A 187 7.451 -3.176 -6.972 1.00 0.00 H new ATOM 0 HB3 MET A 187 7.298 -1.451 -7.234 1.00 0.00 H new ATOM 0 HG2 MET A 187 8.580 -1.655 -9.359 1.00 0.00 H new ATOM 0 HG3 MET A 187 8.751 -3.378 -9.095 1.00 0.00 H new ATOM 0 HE1 MET A 187 5.229 -4.838 -9.762 1.00 0.00 H new ATOM 0 HE2 MET A 187 6.935 -5.147 -9.359 1.00 0.00 H new ATOM 0 HE3 MET A 187 5.854 -4.412 -8.151 1.00 0.00 H new ATOM 20 N ASP A 188 9.433 0.329 -7.102 1.00 0.00 N ATOM 21 CA ASP A 188 9.901 1.605 -7.638 1.00 0.00 C ATOM 22 C ASP A 188 9.539 2.754 -6.680 1.00 0.00 C ATOM 23 O ASP A 188 8.999 2.514 -5.598 1.00 0.00 O ATOM 24 CB ASP A 188 9.300 1.804 -9.043 1.00 0.00 C ATOM 25 CG ASP A 188 7.775 1.946 -9.021 1.00 0.00 C ATOM 26 OD1 ASP A 188 7.100 0.893 -8.992 1.00 0.00 O ATOM 27 OD2 ASP A 188 7.310 3.107 -9.028 1.00 0.00 O ATOM 0 H ASP A 188 8.576 0.424 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 188 10.987 1.602 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 188 9.737 2.693 -9.497 1.00 0.00 H new ATOM 0 HB3 ASP A 188 9.573 0.957 -9.673 1.00 0.00 H new ATOM 32 N MET A 189 9.842 3.997 -7.089 1.00 0.00 N ATOM 33 CA MET A 189 9.669 5.225 -6.311 1.00 0.00 C ATOM 34 C MET A 189 10.285 5.107 -4.896 1.00 0.00 C ATOM 35 O MET A 189 9.547 5.036 -3.912 1.00 0.00 O ATOM 36 CB MET A 189 8.190 5.656 -6.351 1.00 0.00 C ATOM 37 CG MET A 189 7.990 7.077 -5.816 1.00 0.00 C ATOM 38 SD MET A 189 6.300 7.703 -5.989 1.00 0.00 S ATOM 39 CE MET A 189 6.527 9.349 -5.268 1.00 0.00 C ATOM 0 H MET A 189 10.232 4.176 -8.014 1.00 0.00 H new ATOM 0 HA MET A 189 10.236 6.037 -6.767 1.00 0.00 H new ATOM 0 HB2 MET A 189 7.824 5.600 -7.376 1.00 0.00 H new ATOM 0 HB3 MET A 189 7.594 4.960 -5.761 1.00 0.00 H new ATOM 0 HG2 MET A 189 8.268 7.099 -4.762 1.00 0.00 H new ATOM 0 HG3 MET A 189 8.670 7.749 -6.339 1.00 0.00 H new ATOM 0 HE1 MET A 189 5.580 9.889 -5.289 1.00 0.00 H new ATOM 0 HE2 MET A 189 6.866 9.251 -4.237 1.00 0.00 H new ATOM 0 HE3 MET A 189 7.271 9.899 -5.844 1.00 0.00 H new ATOM 49 N PRO A 190 11.630 5.031 -4.784 1.00 0.00 N ATOM 50 CA PRO A 190 12.361 4.753 -3.544 1.00 0.00 C ATOM 51 C PRO A 190 12.515 6.002 -2.644 1.00 0.00 C ATOM 52 O PRO A 190 13.604 6.279 -2.140 1.00 0.00 O ATOM 53 CB PRO A 190 13.702 4.179 -4.024 1.00 0.00 C ATOM 54 CG PRO A 190 13.973 4.995 -5.284 1.00 0.00 C ATOM 55 CD PRO A 190 12.577 5.114 -5.893 1.00 0.00 C ATOM 0 HA PRO A 190 11.830 4.055 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 190 14.488 4.306 -3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 190 13.635 3.112 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 190 14.402 5.970 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 190 14.669 4.491 -5.955 1.00 0.00 H new ATOM 0 HD2 PRO A 190 12.466 6.058 -6.427 1.00 0.00 H new ATOM 0 HD3 PRO A 190 12.400 4.317 -6.615 1.00 0.00 H new ATOM 63 N VAL A 191 11.431 6.768 -2.459 1.00 0.00 N ATOM 64 CA VAL A 191 11.386 8.008 -1.698 1.00 0.00 C ATOM 65 C VAL A 191 10.282 7.904 -0.639 1.00 0.00 C ATOM 66 O VAL A 191 9.092 7.869 -0.953 1.00 0.00 O ATOM 67 CB VAL A 191 11.212 9.221 -2.639 1.00 0.00 C ATOM 68 CG1 VAL A 191 12.556 9.590 -3.286 1.00 0.00 C ATOM 69 CG2 VAL A 191 10.159 9.053 -3.750 1.00 0.00 C ATOM 0 H VAL A 191 10.525 6.522 -2.857 1.00 0.00 H new ATOM 0 HA VAL A 191 12.331 8.167 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 191 10.843 10.016 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL A 191 12.419 10.446 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 191 13.277 9.843 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 191 12.927 8.743 -3.863 1.00 0.00 H new ATOM 0 HG21 VAL A 191 10.117 9.961 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 191 10.431 8.209 -4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 191 9.183 8.870 -3.301 1.00 0.00 H new ATOM 79 N ASP A 192 10.709 7.820 0.627 1.00 0.00 N ATOM 80 CA ASP A 192 9.846 7.652 1.793 1.00 0.00 C ATOM 81 C ASP A 192 9.022 8.917 2.096 1.00 0.00 C ATOM 82 O ASP A 192 9.455 10.023 1.763 1.00 0.00 O ATOM 83 CB ASP A 192 10.726 7.304 3.005 1.00 0.00 C ATOM 84 CG ASP A 192 11.429 5.959 2.826 1.00 0.00 C ATOM 85 OD1 ASP A 192 10.764 4.931 3.085 1.00 0.00 O ATOM 86 OD2 ASP A 192 12.612 5.980 2.422 1.00 0.00 O ATOM 0 H ASP A 192 11.698 7.869 0.871 1.00 0.00 H new ATOM 0 HA ASP A 192 9.137 6.851 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 192 11.470 8.087 3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 192 10.112 7.276 3.905 1.00 0.00 H new ATOM 91 N PRO A 193 7.875 8.786 2.796 1.00 0.00 N ATOM 92 CA PRO A 193 7.104 9.915 3.322 1.00 0.00 C ATOM 93 C PRO A 193 7.772 10.589 4.541 1.00 0.00 C ATOM 94 O PRO A 193 7.188 11.505 5.117 1.00 0.00 O ATOM 95 CB PRO A 193 5.738 9.319 3.681 1.00 0.00 C ATOM 96 CG PRO A 193 6.085 7.893 4.102 1.00 0.00 C ATOM 97 CD PRO A 193 7.224 7.529 3.152 1.00 0.00 C ATOM 0 HA PRO A 193 7.029 10.716 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 193 5.256 9.872 4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 193 5.055 9.334 2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 193 6.397 7.844 5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 193 5.235 7.220 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 193 7.928 6.848 3.631 1.00 0.00 H new ATOM 0 HD3 PRO A 193 6.844 7.022 2.265 1.00 0.00 H new ATOM 105 N ASN A 194 8.969 10.127 4.941 1.00 0.00 N ATOM 106 CA ASN A 194 9.786 10.652 6.031 1.00 0.00 C ATOM 107 C ASN A 194 10.378 12.020 5.646 1.00 0.00 C ATOM 108 O ASN A 194 11.519 12.116 5.194 1.00 0.00 O ATOM 109 CB ASN A 194 10.878 9.625 6.401 1.00 0.00 C ATOM 110 CG ASN A 194 10.372 8.215 6.735 1.00 0.00 C ATOM 111 OD1 ASN A 194 11.112 7.248 6.589 1.00 0.00 O ATOM 112 ND2 ASN A 194 9.126 8.070 7.183 1.00 0.00 N ATOM 0 H ASN A 194 9.411 9.331 4.481 1.00 0.00 H new ATOM 0 HA ASN A 194 9.166 10.811 6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 194 11.581 9.553 5.571 1.00 0.00 H new ATOM 0 HB3 ASN A 194 11.434 10.005 7.258 1.00 0.00 H new ATOM 0 HD21 ASN A 194 8.771 7.141 7.412 1.00 0.00 H new ATOM 0 HD22 ASN A 194 8.527 8.887 7.297 1.00 0.00 H new ATOM 119 N GLU A 195 9.565 13.072 5.795 1.00 0.00 N ATOM 120 CA GLU A 195 9.834 14.425 5.322 1.00 0.00 C ATOM 121 C GLU A 195 9.083 15.415 6.234 1.00 0.00 C ATOM 122 O GLU A 195 7.933 15.143 6.586 1.00 0.00 O ATOM 123 CB GLU A 195 9.340 14.512 3.865 1.00 0.00 C ATOM 124 CG GLU A 195 9.626 15.859 3.190 1.00 0.00 C ATOM 125 CD GLU A 195 9.216 15.852 1.715 1.00 0.00 C ATOM 126 OE1 GLU A 195 8.029 15.562 1.445 1.00 0.00 O ATOM 127 OE2 GLU A 195 10.095 16.153 0.877 1.00 0.00 O ATOM 0 H GLU A 195 8.665 12.995 6.269 1.00 0.00 H new ATOM 0 HA GLU A 195 10.896 14.670 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 195 9.811 13.719 3.284 1.00 0.00 H new ATOM 0 HB3 GLU A 195 8.266 14.327 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 195 9.088 16.650 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 195 10.688 16.088 3.271 1.00 0.00 H new ATOM 134 N PRO A 196 9.690 16.556 6.627 1.00 0.00 N ATOM 135 CA PRO A 196 9.052 17.526 7.513 1.00 0.00 C ATOM 136 C PRO A 196 7.921 18.284 6.804 1.00 0.00 C ATOM 137 O PRO A 196 7.946 18.467 5.587 1.00 0.00 O ATOM 138 CB PRO A 196 10.172 18.471 7.961 1.00 0.00 C ATOM 139 CG PRO A 196 11.159 18.424 6.797 1.00 0.00 C ATOM 140 CD PRO A 196 11.048 16.979 6.314 1.00 0.00 C ATOM 0 HA PRO A 196 8.579 17.036 8.364 1.00 0.00 H new ATOM 0 HB2 PRO A 196 9.801 19.481 8.133 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.631 18.137 8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 196 10.894 19.133 6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.172 18.666 7.117 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.242 16.909 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.780 16.343 6.813 1.00 0.00 H new ATOM 148 N THR A 197 6.936 18.741 7.590 1.00 0.00 N ATOM 149 CA THR A 197 5.733 19.409 7.111 1.00 0.00 C ATOM 150 C THR A 197 5.304 20.507 8.094 1.00 0.00 C ATOM 151 O THR A 197 5.858 20.635 9.187 1.00 0.00 O ATOM 152 CB THR A 197 4.587 18.395 6.896 1.00 0.00 C ATOM 153 OG1 THR A 197 4.240 17.753 8.107 1.00 0.00 O ATOM 154 CG2 THR A 197 4.899 17.324 5.844 1.00 0.00 C ATOM 0 H THR A 197 6.962 18.650 8.606 1.00 0.00 H new ATOM 0 HA THR A 197 5.959 19.871 6.150 1.00 0.00 H new ATOM 0 HB THR A 197 3.751 18.988 6.526 1.00 0.00 H new ATOM 0 HG1 THR A 197 3.512 17.118 7.944 1.00 0.00 H new ATOM 0 HG21 THR A 197 4.048 16.649 5.749 1.00 0.00 H new ATOM 0 HG22 THR A 197 5.092 17.802 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.779 16.758 6.151 1.00 0.00 H new ATOM 162 N TYR A 198 4.297 21.290 7.685 1.00 0.00 N ATOM 163 CA TYR A 198 3.888 22.521 8.363 1.00 0.00 C ATOM 164 C TYR A 198 2.365 22.657 8.496 1.00 0.00 C ATOM 165 O TYR A 198 1.861 22.352 9.571 1.00 0.00 O ATOM 166 CB TYR A 198 4.511 23.707 7.627 1.00 0.00 C ATOM 167 CG TYR A 198 6.030 23.730 7.653 1.00 0.00 C ATOM 168 CD1 TYR A 198 6.706 24.300 8.749 1.00 0.00 C ATOM 169 CD2 TYR A 198 6.766 23.168 6.590 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.112 24.311 8.788 1.00 0.00 C ATOM 171 CE2 TYR A 198 8.171 23.164 6.626 1.00 0.00 C ATOM 172 CZ TYR A 198 8.850 23.739 7.725 1.00 0.00 C ATOM 173 OH TYR A 198 10.213 23.737 7.758 1.00 0.00 O ATOM 0 H TYR A 198 3.736 21.080 6.859 1.00 0.00 H new ATOM 0 HA TYR A 198 4.253 22.493 9.390 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.177 23.692 6.590 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.138 24.631 8.069 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.142 24.731 9.563 1.00 0.00 H new ATOM 0 HD2 TYR A 198 6.248 22.739 5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 198 8.627 24.755 9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 198 8.731 22.722 5.815 1.00 0.00 H new ATOM 0 HH TYR A 198 10.559 23.304 6.950 1.00 0.00 H new ATOM 183 N CYS A 199 1.639 23.107 7.451 1.00 0.00 N ATOM 184 CA CYS A 199 0.187 23.314 7.458 1.00 0.00 C ATOM 185 C CYS A 199 -0.592 22.057 7.861 1.00 0.00 C ATOM 186 O CYS A 199 -0.057 20.949 7.841 1.00 0.00 O ATOM 187 CB CYS A 199 -0.345 23.948 6.146 1.00 0.00 C ATOM 188 SG CYS A 199 -1.873 24.876 6.501 1.00 0.00 S ATOM 0 H CYS A 199 2.066 23.342 6.555 1.00 0.00 H new ATOM 0 HA CYS A 199 0.002 24.050 8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 199 0.406 24.612 5.719 1.00 0.00 H new ATOM 0 HB3 CYS A 199 -0.541 23.171 5.407 1.00 0.00 H new ATOM 0 HG CYS A 199 -2.474 25.166 5.385 1.00 0.00 H new ATOM 193 N LEU A 200 -1.886 22.240 8.160 1.00 0.00 N ATOM 194 CA LEU A 200 -2.854 21.156 8.366 1.00 0.00 C ATOM 195 C LEU A 200 -3.005 20.247 7.134 1.00 0.00 C ATOM 196 O LEU A 200 -3.632 19.192 7.212 1.00 0.00 O ATOM 197 CB LEU A 200 -4.196 21.720 8.873 1.00 0.00 C ATOM 198 CG LEU A 200 -4.913 22.682 7.904 1.00 0.00 C ATOM 199 CD1 LEU A 200 -5.732 21.974 6.811 1.00 0.00 C ATOM 200 CD2 LEU A 200 -5.860 23.614 8.675 1.00 0.00 C ATOM 0 H LEU A 200 -2.297 23.167 8.268 1.00 0.00 H new ATOM 0 HA LEU A 200 -2.461 20.503 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -4.863 20.886 9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -4.020 22.242 9.814 1.00 0.00 H new ATOM 0 HG LEU A 200 -4.115 23.239 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -6.205 22.719 6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -5.073 21.346 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -6.499 21.355 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.358 24.286 7.976 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -6.607 23.020 9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.288 24.199 9.396 1.00 0.00 H new ATOM 212 N CYS A 201 -2.414 20.668 6.008 1.00 0.00 N ATOM 213 CA CYS A 201 -2.324 19.944 4.752 1.00 0.00 C ATOM 214 C CYS A 201 -1.261 18.838 4.771 1.00 0.00 C ATOM 215 O CYS A 201 -1.310 17.934 3.940 1.00 0.00 O ATOM 216 CB CYS A 201 -1.882 20.958 3.705 1.00 0.00 C ATOM 217 SG CYS A 201 -3.067 22.311 3.487 1.00 0.00 S ATOM 0 H CYS A 201 -1.961 21.580 5.956 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.290 19.479 4.553 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.915 21.372 3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.740 20.449 2.751 1.00 0.00 H new ATOM 0 HG CYS A 201 -2.497 23.440 3.788 1.00 0.00 H new ATOM 223 N HIS A 202 -0.298 18.945 5.696 1.00 0.00 N ATOM 224 CA HIS A 202 0.879 18.099 5.834 1.00 0.00 C ATOM 225 C HIS A 202 1.748 18.132 4.567 1.00 0.00 C ATOM 226 O HIS A 202 1.938 17.114 3.903 1.00 0.00 O ATOM 227 CB HIS A 202 0.503 16.691 6.332 1.00 0.00 C ATOM 228 CG HIS A 202 -0.385 16.664 7.558 1.00 0.00 C ATOM 229 ND1 HIS A 202 -1.279 15.670 7.883 1.00 0.00 N ATOM 230 CD2 HIS A 202 -0.475 17.614 8.543 1.00 0.00 C ATOM 231 CE1 HIS A 202 -1.889 16.021 9.029 1.00 0.00 C ATOM 232 NE2 HIS A 202 -1.435 17.204 9.473 1.00 0.00 N ATOM 0 H HIS A 202 -0.329 19.673 6.410 1.00 0.00 H new ATOM 0 HA HIS A 202 1.518 18.508 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.000 16.159 5.525 1.00 0.00 H new ATOM 0 HB3 HIS A 202 1.419 16.143 6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 202 0.100 18.527 8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 202 -2.644 15.430 9.526 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.729 17.700 10.314 1.00 0.00 H new ATOM 240 N GLN A 203 2.269 19.329 4.246 1.00 0.00 N ATOM 241 CA GLN A 203 3.185 19.579 3.140 1.00 0.00 C ATOM 242 C GLN A 203 4.447 20.337 3.584 1.00 0.00 C ATOM 243 O GLN A 203 4.460 20.985 4.631 1.00 0.00 O ATOM 244 CB GLN A 203 2.448 20.261 1.967 1.00 0.00 C ATOM 245 CG GLN A 203 2.354 21.800 1.990 1.00 0.00 C ATOM 246 CD GLN A 203 1.491 22.388 3.104 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.394 22.882 2.854 1.00 0.00 O ATOM 248 NE2 GLN A 203 1.987 22.419 4.338 1.00 0.00 N ATOM 0 H GLN A 203 2.050 20.174 4.774 1.00 0.00 H new ATOM 0 HA GLN A 203 3.545 18.616 2.777 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.943 19.967 1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.435 19.862 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.361 22.207 2.081 1.00 0.00 H new ATOM 0 HG3 GLN A 203 1.959 22.137 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 203 2.899 22.005 4.532 1.00 0.00 H new ATOM 0 HE22 GLN A 203 1.455 22.857 5.090 1.00 0.00 H new ATOM 257 N VAL A 204 5.497 20.252 2.758 1.00 0.00 N ATOM 258 CA VAL A 204 6.833 20.817 2.987 1.00 0.00 C ATOM 259 C VAL A 204 6.819 22.362 2.926 1.00 0.00 C ATOM 260 O VAL A 204 5.775 22.979 2.716 1.00 0.00 O ATOM 261 CB VAL A 204 7.859 20.214 1.977 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.252 20.031 2.613 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.465 18.841 1.398 1.00 0.00 C ATOM 0 H VAL A 204 5.435 19.762 1.866 1.00 0.00 H new ATOM 0 HA VAL A 204 7.146 20.544 3.995 1.00 0.00 H new ATOM 0 HB VAL A 204 7.870 20.948 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 204 9.936 19.609 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.629 20.998 2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.177 19.357 3.466 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.237 18.502 0.707 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.362 18.120 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.517 18.928 0.868 1.00 0.00 H new ATOM 273 N SER A 205 7.999 22.972 3.116 1.00 0.00 N ATOM 274 CA SER A 205 8.286 24.408 3.075 1.00 0.00 C ATOM 275 C SER A 205 7.661 25.145 1.879 1.00 0.00 C ATOM 276 O SER A 205 7.475 24.583 0.800 1.00 0.00 O ATOM 277 CB SER A 205 9.804 24.623 3.123 1.00 0.00 C ATOM 278 OG SER A 205 10.446 24.005 2.025 1.00 0.00 O ATOM 0 H SER A 205 8.839 22.430 3.317 1.00 0.00 H new ATOM 0 HA SER A 205 7.813 24.849 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 205 10.022 25.691 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 205 10.201 24.219 4.054 1.00 0.00 H new ATOM 0 HG SER A 205 11.412 24.160 2.081 1.00 0.00 H new ATOM 284 N TYR A 206 7.355 26.429 2.105 1.00 0.00 N ATOM 285 CA TYR A 206 6.535 27.277 1.241 1.00 0.00 C ATOM 286 C TYR A 206 6.878 28.763 1.446 1.00 0.00 C ATOM 287 O TYR A 206 7.593 29.124 2.382 1.00 0.00 O ATOM 288 CB TYR A 206 5.046 26.995 1.533 1.00 0.00 C ATOM 289 CG TYR A 206 4.623 27.135 2.989 1.00 0.00 C ATOM 290 CD1 TYR A 206 5.010 26.161 3.930 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.831 28.221 3.409 1.00 0.00 C ATOM 292 CE1 TYR A 206 4.671 26.292 5.280 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.420 28.308 4.753 1.00 0.00 C ATOM 294 CZ TYR A 206 3.838 27.346 5.694 1.00 0.00 C ATOM 295 OH TYR A 206 3.432 27.421 6.990 1.00 0.00 O ATOM 0 H TYR A 206 7.689 26.924 2.932 1.00 0.00 H new ATOM 0 HA TYR A 206 6.742 27.045 0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 206 4.441 27.673 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 206 4.815 25.983 1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 206 5.576 25.301 3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.540 28.984 2.703 1.00 0.00 H new ATOM 0 HE1 TYR A 206 5.048 25.585 6.004 1.00 0.00 H new ATOM 0 HE2 TYR A 206 2.779 29.119 5.065 1.00 0.00 H new ATOM 0 HH TYR A 206 2.862 28.209 7.109 1.00 0.00 H new ATOM 305 N GLY A 207 6.365 29.618 0.549 1.00 0.00 N ATOM 306 CA GLY A 207 6.764 31.019 0.440 1.00 0.00 C ATOM 307 C GLY A 207 6.195 31.942 1.520 1.00 0.00 C ATOM 308 O GLY A 207 6.945 32.757 2.055 1.00 0.00 O ATOM 0 H GLY A 207 5.652 29.347 -0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.852 31.074 0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 207 6.455 31.394 -0.536 1.00 0.00 H new ATOM 312 N GLU A 208 4.902 31.813 1.854 1.00 0.00 N ATOM 313 CA GLU A 208 4.184 32.763 2.696 1.00 0.00 C ATOM 314 C GLU A 208 3.487 32.045 3.851 1.00 0.00 C ATOM 315 O GLU A 208 2.670 31.151 3.637 1.00 0.00 O ATOM 316 CB GLU A 208 3.246 33.589 1.810 1.00 0.00 C ATOM 317 CG GLU A 208 1.907 32.962 1.367 1.00 0.00 C ATOM 318 CD GLU A 208 2.013 31.621 0.628 1.00 0.00 C ATOM 319 OE1 GLU A 208 2.867 31.517 -0.280 1.00 0.00 O ATOM 320 OE2 GLU A 208 1.223 30.715 0.979 1.00 0.00 O ATOM 0 H GLU A 208 4.324 31.033 1.539 1.00 0.00 H new ATOM 0 HA GLU A 208 4.873 33.459 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 208 3.019 34.514 2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.797 33.864 0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.283 32.821 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.390 33.672 0.721 1.00 0.00 H new ATOM 327 N MET A 209 3.827 32.439 5.086 1.00 0.00 N ATOM 328 CA MET A 209 3.483 31.652 6.270 1.00 0.00 C ATOM 329 C MET A 209 3.124 32.491 7.496 1.00 0.00 C ATOM 330 O MET A 209 3.731 33.531 7.757 1.00 0.00 O ATOM 331 CB MET A 209 4.682 30.754 6.680 1.00 0.00 C ATOM 332 CG MET A 209 5.728 30.385 5.609 1.00 0.00 C ATOM 333 SD MET A 209 6.817 28.953 5.922 1.00 0.00 S ATOM 334 CE MET A 209 6.797 28.753 7.726 1.00 0.00 C ATOM 0 H MET A 209 4.339 33.298 5.287 1.00 0.00 H new ATOM 0 HA MET A 209 2.606 31.074 5.978 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.205 31.253 7.496 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.278 29.825 7.082 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.197 30.201 4.675 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.362 31.257 5.449 1.00 0.00 H new ATOM 0 HE1 MET A 209 7.627 28.115 8.031 1.00 0.00 H new ATOM 0 HE2 MET A 209 6.896 29.729 8.201 1.00 0.00 H new ATOM 0 HE3 MET A 209 5.856 28.295 8.031 1.00 0.00 H new ATOM 344 N ILE A 210 2.197 31.945 8.293 1.00 0.00 N ATOM 345 CA ILE A 210 1.843 32.407 9.637 1.00 0.00 C ATOM 346 C ILE A 210 1.522 31.198 10.521 1.00 0.00 C ATOM 347 O ILE A 210 1.132 30.149 10.020 1.00 0.00 O ATOM 348 CB ILE A 210 0.684 33.421 9.569 1.00 0.00 C ATOM 349 CG1 ILE A 210 0.491 34.151 10.915 1.00 0.00 C ATOM 350 CG2 ILE A 210 -0.626 32.785 9.065 1.00 0.00 C ATOM 351 CD1 ILE A 210 -0.237 35.491 10.762 1.00 0.00 C ATOM 0 H ILE A 210 1.650 31.134 8.004 1.00 0.00 H new ATOM 0 HA ILE A 210 2.686 32.931 10.088 1.00 0.00 H new ATOM 0 HB ILE A 210 0.964 34.171 8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 210 -0.073 33.511 11.593 1.00 0.00 H new ATOM 0 HG13 ILE A 210 1.465 34.322 11.374 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -1.410 33.542 9.036 1.00 0.00 H new ATOM 0 HG22 ILE A 210 -0.473 32.382 8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.923 31.981 9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 210 -0.345 35.960 11.740 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.339 36.145 10.107 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -1.223 35.322 10.330 1.00 0.00 H new ATOM 363 N GLY A 211 1.681 31.344 11.838 1.00 0.00 N ATOM 364 CA GLY A 211 1.630 30.239 12.787 1.00 0.00 C ATOM 365 C GLY A 211 0.820 30.581 14.028 1.00 0.00 C ATOM 366 O GLY A 211 0.789 31.738 14.451 1.00 0.00 O ATOM 0 H GLY A 211 1.851 32.248 12.278 1.00 0.00 H new ATOM 0 HA2 GLY A 211 1.195 29.366 12.301 1.00 0.00 H new ATOM 0 HA3 GLY A 211 2.644 29.968 13.081 1.00 0.00 H new ATOM 370 N CYS A 212 0.146 29.563 14.589 1.00 0.00 N ATOM 371 CA CYS A 212 -0.773 29.779 15.708 1.00 0.00 C ATOM 372 C CYS A 212 -0.011 30.144 16.982 1.00 0.00 C ATOM 373 O CYS A 212 1.076 29.641 17.262 1.00 0.00 O ATOM 374 CB CYS A 212 -1.756 28.626 15.977 1.00 0.00 C ATOM 375 SG CYS A 212 -3.179 29.246 16.940 1.00 0.00 S ATOM 0 H CYS A 212 0.222 28.592 14.286 1.00 0.00 H new ATOM 0 HA CYS A 212 -1.395 30.618 15.397 1.00 0.00 H new ATOM 0 HB2 CYS A 212 -2.100 28.200 15.034 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -1.255 27.827 16.523 1.00 0.00 H new ATOM 0 HG CYS A 212 -4.238 28.553 16.644 1.00 0.00 H new ATOM 380 N ASP A 213 -0.656 31.023 17.743 1.00 0.00 N ATOM 381 CA ASP A 213 -0.154 31.664 18.954 1.00 0.00 C ATOM 382 C ASP A 213 -0.226 30.766 20.205 1.00 0.00 C ATOM 383 O ASP A 213 0.263 31.163 21.263 1.00 0.00 O ATOM 384 CB ASP A 213 -0.963 32.962 19.139 1.00 0.00 C ATOM 385 CG ASP A 213 -0.408 33.889 20.221 1.00 0.00 C ATOM 386 OD1 ASP A 213 0.671 34.470 19.972 1.00 0.00 O ATOM 387 OD2 ASP A 213 -1.091 34.034 21.258 1.00 0.00 O ATOM 0 H ASP A 213 -1.603 31.326 17.516 1.00 0.00 H new ATOM 0 HA ASP A 213 0.909 31.872 18.836 1.00 0.00 H new ATOM 0 HB2 ASP A 213 -0.989 33.500 18.192 1.00 0.00 H new ATOM 0 HB3 ASP A 213 -1.992 32.705 19.388 1.00 0.00 H new ATOM 392 N ASN A 214 -0.831 29.572 20.110 1.00 0.00 N ATOM 393 CA ASN A 214 -1.136 28.752 21.281 1.00 0.00 C ATOM 394 C ASN A 214 0.087 27.941 21.733 1.00 0.00 C ATOM 395 O ASN A 214 0.816 27.427 20.881 1.00 0.00 O ATOM 396 CB ASN A 214 -2.259 27.751 20.964 1.00 0.00 C ATOM 397 CG ASN A 214 -3.558 28.373 20.464 1.00 0.00 C ATOM 398 OD1 ASN A 214 -3.853 29.537 20.710 1.00 0.00 O ATOM 399 ND2 ASN A 214 -4.348 27.577 19.748 1.00 0.00 N ATOM 0 H ASN A 214 -1.119 29.155 19.225 1.00 0.00 H new ATOM 0 HA ASN A 214 -1.441 29.438 22.072 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -1.897 27.049 20.212 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -2.474 27.173 21.863 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -5.233 27.930 19.383 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -4.069 26.613 19.564 1.00 0.00 H new ATOM 406 N PRO A 215 0.261 27.720 23.053 1.00 0.00 N ATOM 407 CA PRO A 215 1.221 26.759 23.591 1.00 0.00 C ATOM 408 C PRO A 215 0.711 25.305 23.457 1.00 0.00 C ATOM 409 O PRO A 215 1.353 24.387 23.965 1.00 0.00 O ATOM 410 CB PRO A 215 1.400 27.175 25.056 1.00 0.00 C ATOM 411 CG PRO A 215 0.018 27.703 25.435 1.00 0.00 C ATOM 412 CD PRO A 215 -0.482 28.347 24.141 1.00 0.00 C ATOM 0 HA PRO A 215 2.166 26.771 23.048 1.00 0.00 H new ATOM 0 HB2 PRO A 215 1.696 26.333 25.681 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.169 27.940 25.167 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.642 26.901 25.766 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.073 28.426 26.249 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.554 28.191 24.019 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.316 29.424 24.154 1.00 0.00 H new ATOM 420 N ASP A 216 -0.431 25.102 22.776 1.00 0.00 N ATOM 421 CA ASP A 216 -1.162 23.840 22.668 1.00 0.00 C ATOM 422 C ASP A 216 -1.383 23.411 21.208 1.00 0.00 C ATOM 423 O ASP A 216 -1.832 22.290 20.971 1.00 0.00 O ATOM 424 CB ASP A 216 -2.525 23.981 23.368 1.00 0.00 C ATOM 425 CG ASP A 216 -2.428 24.559 24.780 1.00 0.00 C ATOM 426 OD1 ASP A 216 -1.903 23.844 25.661 1.00 0.00 O ATOM 427 OD2 ASP A 216 -2.883 25.712 24.951 1.00 0.00 O ATOM 0 H ASP A 216 -0.887 25.856 22.262 1.00 0.00 H new ATOM 0 HA ASP A 216 -0.558 23.070 23.148 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -3.170 24.621 22.765 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -3.003 23.002 23.416 1.00 0.00 H new ATOM 432 N CYS A 217 -1.077 24.283 20.233 1.00 0.00 N ATOM 433 CA CYS A 217 -1.149 23.981 18.815 1.00 0.00 C ATOM 434 C CYS A 217 -0.125 22.899 18.460 1.00 0.00 C ATOM 435 O CYS A 217 1.042 22.974 18.842 1.00 0.00 O ATOM 436 CB CYS A 217 -0.942 25.262 18.001 1.00 0.00 C ATOM 437 SG CYS A 217 -1.230 24.960 16.239 1.00 0.00 S ATOM 0 H CYS A 217 -0.767 25.236 20.425 1.00 0.00 H new ATOM 0 HA CYS A 217 -2.136 23.590 18.568 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -1.620 26.038 18.357 1.00 0.00 H new ATOM 0 HB3 CYS A 217 0.072 25.633 18.150 1.00 0.00 H new ATOM 443 N SER A 218 -0.599 21.914 17.695 1.00 0.00 N ATOM 444 CA SER A 218 0.139 20.709 17.303 1.00 0.00 C ATOM 445 C SER A 218 0.481 20.710 15.805 1.00 0.00 C ATOM 446 O SER A 218 0.974 19.709 15.288 1.00 0.00 O ATOM 447 CB SER A 218 -0.673 19.462 17.682 1.00 0.00 C ATOM 448 OG SER A 218 -0.976 19.449 19.062 1.00 0.00 O ATOM 0 H SER A 218 -1.546 21.934 17.316 1.00 0.00 H new ATOM 0 HA SER A 218 1.086 20.697 17.842 1.00 0.00 H new ATOM 0 HB2 SER A 218 -1.597 19.437 17.104 1.00 0.00 H new ATOM 0 HB3 SER A 218 -0.110 18.566 17.422 1.00 0.00 H new ATOM 0 HG SER A 218 -1.495 18.645 19.275 1.00 0.00 H new ATOM 454 N ILE A 219 0.231 21.839 15.126 1.00 0.00 N ATOM 455 CA ILE A 219 0.514 22.078 13.712 1.00 0.00 C ATOM 456 C ILE A 219 1.488 23.266 13.577 1.00 0.00 C ATOM 457 O ILE A 219 2.341 23.237 12.694 1.00 0.00 O ATOM 458 CB ILE A 219 -0.812 22.318 12.942 1.00 0.00 C ATOM 459 CG1 ILE A 219 -1.894 21.231 13.158 1.00 0.00 C ATOM 460 CG2 ILE A 219 -0.579 22.505 11.433 1.00 0.00 C ATOM 461 CD1 ILE A 219 -1.536 19.825 12.655 1.00 0.00 C ATOM 0 H ILE A 219 -0.196 22.649 15.576 1.00 0.00 H new ATOM 0 HA ILE A 219 0.992 21.203 13.271 1.00 0.00 H new ATOM 0 HB ILE A 219 -1.198 23.241 13.376 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -2.114 21.170 14.224 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -2.810 21.552 12.661 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -1.534 22.670 10.935 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.069 23.366 11.269 1.00 0.00 H new ATOM 0 HG23 ILE A 219 -0.106 21.612 11.024 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -2.363 19.145 12.857 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -1.348 19.859 11.582 1.00 0.00 H new ATOM 0 HD13 ILE A 219 -0.642 19.472 13.169 1.00 0.00 H new ATOM 473 N GLU A 220 1.380 24.248 14.497 1.00 0.00 N ATOM 474 CA GLU A 220 2.158 25.479 14.713 1.00 0.00 C ATOM 475 C GLU A 220 2.415 26.426 13.528 1.00 0.00 C ATOM 476 O GLU A 220 2.749 27.581 13.776 1.00 0.00 O ATOM 477 CB GLU A 220 3.448 25.188 15.503 1.00 0.00 C ATOM 478 CG GLU A 220 4.490 24.370 14.724 1.00 0.00 C ATOM 479 CD GLU A 220 5.876 24.470 15.360 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.080 23.801 16.397 1.00 0.00 O ATOM 481 OE2 GLU A 220 6.710 25.216 14.799 1.00 0.00 O ATOM 0 H GLU A 220 0.643 24.182 15.199 1.00 0.00 H new ATOM 0 HA GLU A 220 1.463 26.077 15.303 1.00 0.00 H new ATOM 0 HB2 GLU A 220 3.897 26.134 15.806 1.00 0.00 H new ATOM 0 HB3 GLU A 220 3.189 24.651 16.416 1.00 0.00 H new ATOM 0 HG2 GLU A 220 4.180 23.326 14.688 1.00 0.00 H new ATOM 0 HG3 GLU A 220 4.535 24.724 13.694 1.00 0.00 H new ATOM 488 N TRP A 221 2.219 25.997 12.277 1.00 0.00 N ATOM 489 CA TRP A 221 2.399 26.783 11.074 1.00 0.00 C ATOM 490 C TRP A 221 1.300 26.472 10.066 1.00 0.00 C ATOM 491 O TRP A 221 0.750 25.375 10.042 1.00 0.00 O ATOM 492 CB TRP A 221 3.746 26.428 10.455 1.00 0.00 C ATOM 493 CG TRP A 221 4.923 27.130 11.030 1.00 0.00 C ATOM 494 CD1 TRP A 221 5.902 26.560 11.764 1.00 0.00 C ATOM 495 CD2 TRP A 221 5.283 28.536 10.899 1.00 0.00 C ATOM 496 NE1 TRP A 221 6.854 27.502 12.073 1.00 0.00 N ATOM 497 CE2 TRP A 221 6.546 28.732 11.528 1.00 0.00 C ATOM 498 CE3 TRP A 221 4.684 29.658 10.285 1.00 0.00 C ATOM 499 CZ2 TRP A 221 7.204 29.969 11.500 1.00 0.00 C ATOM 500 CZ3 TRP A 221 5.317 30.915 10.295 1.00 0.00 C ATOM 501 CH2 TRP A 221 6.582 31.069 10.888 1.00 0.00 C ATOM 0 H TRP A 221 1.916 25.044 12.077 1.00 0.00 H new ATOM 0 HA TRP A 221 2.358 27.842 11.330 1.00 0.00 H new ATOM 0 HB2 TRP A 221 3.901 25.354 10.557 1.00 0.00 H new ATOM 0 HB3 TRP A 221 3.703 26.644 9.387 1.00 0.00 H new ATOM 0 HD1 TRP A 221 5.933 25.523 12.063 1.00 0.00 H new ATOM 0 HE1 TRP A 221 7.684 27.315 12.635 1.00 0.00 H new ATOM 0 HE3 TRP A 221 3.725 29.550 9.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 8.182 30.075 11.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 4.828 31.766 9.844 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.074 32.030 10.873 1.00 0.00 H new ATOM 512 N PHE A 222 0.998 27.464 9.226 1.00 0.00 N ATOM 513 CA PHE A 222 -0.105 27.457 8.278 1.00 0.00 C ATOM 514 C PHE A 222 0.220 28.362 7.091 1.00 0.00 C ATOM 515 O PHE A 222 0.978 29.325 7.209 1.00 0.00 O ATOM 516 CB PHE A 222 -1.398 27.955 8.953 1.00 0.00 C ATOM 517 CG PHE A 222 -1.830 27.151 10.166 1.00 0.00 C ATOM 518 CD1 PHE A 222 -1.298 27.457 11.433 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.714 26.065 10.023 1.00 0.00 C ATOM 520 CE1 PHE A 222 -1.612 26.660 12.545 1.00 0.00 C ATOM 521 CE2 PHE A 222 -3.057 25.289 11.142 1.00 0.00 C ATOM 522 CZ PHE A 222 -2.508 25.589 12.400 1.00 0.00 C ATOM 0 H PHE A 222 1.541 28.327 9.191 1.00 0.00 H new ATOM 0 HA PHE A 222 -0.252 26.434 7.931 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -1.258 28.993 9.253 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -2.204 27.941 8.219 1.00 0.00 H new ATOM 0 HD1 PHE A 222 -0.645 28.309 11.550 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.128 25.829 9.054 1.00 0.00 H new ATOM 0 HE1 PHE A 222 -1.167 26.869 13.506 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.743 24.462 11.036 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.777 24.993 13.260 1.00 0.00 H new ATOM 532 N HIS A 223 -0.409 28.071 5.949 1.00 0.00 N ATOM 533 CA HIS A 223 -0.362 28.952 4.790 1.00 0.00 C ATOM 534 C HIS A 223 -1.316 30.116 5.012 1.00 0.00 C ATOM 535 O HIS A 223 -2.357 29.969 5.657 1.00 0.00 O ATOM 536 CB HIS A 223 -0.735 28.207 3.492 1.00 0.00 C ATOM 537 CG HIS A 223 0.137 27.037 3.086 1.00 0.00 C ATOM 538 ND1 HIS A 223 0.122 26.437 1.825 1.00 0.00 N ATOM 539 CD2 HIS A 223 1.124 26.453 3.824 1.00 0.00 C ATOM 540 CE1 HIS A 223 1.175 25.608 1.795 1.00 0.00 C ATOM 541 NE2 HIS A 223 1.777 25.574 2.995 1.00 0.00 N ATOM 0 H HIS A 223 -0.960 27.224 5.807 1.00 0.00 H new ATOM 0 HA HIS A 223 0.659 29.317 4.677 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.758 27.846 3.593 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.731 28.929 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 223 1.349 26.645 4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 223 1.494 25.047 0.929 1.00 0.00 H new ATOM 0 HE2 HIS A 223 2.579 24.996 3.247 1.00 0.00 H new ATOM 549 N PHE A 224 -0.963 31.263 4.424 1.00 0.00 N ATOM 550 CA PHE A 224 -1.888 32.390 4.317 1.00 0.00 C ATOM 551 C PHE A 224 -3.184 31.928 3.665 1.00 0.00 C ATOM 552 O PHE A 224 -4.253 32.119 4.227 1.00 0.00 O ATOM 553 CB PHE A 224 -1.294 33.541 3.487 1.00 0.00 C ATOM 554 CG PHE A 224 -0.175 34.373 4.085 1.00 0.00 C ATOM 555 CD1 PHE A 224 0.301 34.173 5.396 1.00 0.00 C ATOM 556 CD2 PHE A 224 0.408 35.372 3.280 1.00 0.00 C ATOM 557 CE1 PHE A 224 1.395 34.918 5.861 1.00 0.00 C ATOM 558 CE2 PHE A 224 1.513 36.103 3.744 1.00 0.00 C ATOM 559 CZ PHE A 224 2.033 35.839 5.020 1.00 0.00 C ATOM 0 H PHE A 224 -0.044 31.433 4.016 1.00 0.00 H new ATOM 0 HA PHE A 224 -2.077 32.758 5.326 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.927 33.118 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.109 34.219 3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -0.175 33.449 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 224 0.002 35.576 2.300 1.00 0.00 H new ATOM 0 HE1 PHE A 224 1.747 34.781 6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 224 1.960 36.864 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.926 36.346 5.354 1.00 0.00 H new ATOM 569 N ALA A 225 -3.084 31.252 2.522 1.00 0.00 N ATOM 570 CA ALA A 225 -4.233 30.800 1.763 1.00 0.00 C ATOM 571 C ALA A 225 -5.006 29.665 2.452 1.00 0.00 C ATOM 572 O ALA A 225 -6.151 29.423 2.070 1.00 0.00 O ATOM 573 CB ALA A 225 -3.773 30.380 0.364 1.00 0.00 C ATOM 0 H ALA A 225 -2.190 31.003 2.098 1.00 0.00 H new ATOM 0 HA ALA A 225 -4.933 31.632 1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -4.632 30.038 -0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -3.313 31.231 -0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.047 29.571 0.447 1.00 0.00 H new ATOM 579 N CYS A 226 -4.438 28.996 3.474 1.00 0.00 N ATOM 580 CA CYS A 226 -5.140 28.016 4.271 1.00 0.00 C ATOM 581 C CYS A 226 -6.058 28.653 5.330 1.00 0.00 C ATOM 582 O CYS A 226 -6.830 27.926 5.950 1.00 0.00 O ATOM 583 CB CYS A 226 -4.080 27.121 4.900 1.00 0.00 C ATOM 584 SG CYS A 226 -3.620 25.806 3.733 1.00 0.00 S ATOM 0 H CYS A 226 -3.468 29.134 3.759 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.813 27.436 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -3.202 27.711 5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -4.460 26.685 5.824 1.00 0.00 H new ATOM 0 HG CYS A 226 -2.325 25.741 3.641 1.00 0.00 H new ATOM 590 N VAL A 227 -6.016 29.987 5.496 1.00 0.00 N ATOM 591 CA VAL A 227 -6.959 30.784 6.285 1.00 0.00 C ATOM 592 C VAL A 227 -7.662 31.856 5.435 1.00 0.00 C ATOM 593 O VAL A 227 -8.652 32.443 5.869 1.00 0.00 O ATOM 594 CB VAL A 227 -6.253 31.364 7.533 1.00 0.00 C ATOM 595 CG1 VAL A 227 -5.361 32.586 7.253 1.00 0.00 C ATOM 596 CG2 VAL A 227 -7.255 31.714 8.645 1.00 0.00 C ATOM 0 H VAL A 227 -5.291 30.559 5.063 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.756 30.129 6.637 1.00 0.00 H new ATOM 0 HB VAL A 227 -5.596 30.560 7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.907 32.926 8.184 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.578 32.311 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.965 33.389 6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -6.719 32.118 9.504 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.963 32.457 8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -7.795 30.816 8.944 1.00 0.00 H new ATOM 606 N GLY A 228 -7.151 32.086 4.222 1.00 0.00 N ATOM 607 CA GLY A 228 -7.656 33.060 3.260 1.00 0.00 C ATOM 608 C GLY A 228 -6.963 34.424 3.357 1.00 0.00 C ATOM 609 O GLY A 228 -7.535 35.415 2.906 1.00 0.00 O ATOM 0 H GLY A 228 -6.340 31.575 3.872 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.527 32.665 2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.727 33.192 3.416 1.00 0.00 H new ATOM 613 N LEU A 229 -5.764 34.490 3.959 1.00 0.00 N ATOM 614 CA LEU A 229 -4.982 35.712 4.088 1.00 0.00 C ATOM 615 C LEU A 229 -4.381 36.127 2.740 1.00 0.00 C ATOM 616 O LEU A 229 -4.174 35.307 1.844 1.00 0.00 O ATOM 617 CB LEU A 229 -3.871 35.542 5.150 1.00 0.00 C ATOM 618 CG LEU A 229 -4.215 36.114 6.539 1.00 0.00 C ATOM 619 CD1 LEU A 229 -3.139 35.682 7.547 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.297 37.649 6.533 1.00 0.00 C ATOM 0 H LEU A 229 -5.311 33.676 4.374 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.653 36.506 4.417 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.647 34.480 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -2.964 36.025 4.788 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.194 35.725 6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -3.379 36.085 8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -3.105 34.594 7.599 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -2.168 36.060 7.227 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.542 38.004 7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.337 38.063 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.071 37.969 5.835 1.00 0.00 H new ATOM 632 N THR A 230 -4.051 37.420 2.653 1.00 0.00 N ATOM 633 CA THR A 230 -3.394 38.071 1.516 1.00 0.00 C ATOM 634 C THR A 230 -2.245 38.985 1.983 1.00 0.00 C ATOM 635 O THR A 230 -1.604 39.638 1.161 1.00 0.00 O ATOM 636 CB THR A 230 -4.423 38.878 0.701 1.00 0.00 C ATOM 637 OG1 THR A 230 -5.067 39.837 1.518 1.00 0.00 O ATOM 638 CG2 THR A 230 -5.486 37.991 0.041 1.00 0.00 C ATOM 0 H THR A 230 -4.245 38.073 3.412 1.00 0.00 H new ATOM 0 HA THR A 230 -2.967 37.295 0.881 1.00 0.00 H new ATOM 0 HB THR A 230 -3.861 39.374 -0.090 1.00 0.00 H new ATOM 0 HG1 THR A 230 -5.715 40.340 0.983 1.00 0.00 H new ATOM 0 HG21 THR A 230 -6.183 38.614 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.003 37.287 -0.637 1.00 0.00 H new ATOM 0 HG23 THR A 230 -6.029 37.440 0.809 1.00 0.00 H new ATOM 646 N THR A 231 -1.993 39.023 3.298 1.00 0.00 N ATOM 647 CA THR A 231 -1.019 39.870 3.984 1.00 0.00 C ATOM 648 C THR A 231 -0.376 39.087 5.140 1.00 0.00 C ATOM 649 O THR A 231 -0.726 37.932 5.395 1.00 0.00 O ATOM 650 CB THR A 231 -1.700 41.155 4.511 1.00 0.00 C ATOM 651 OG1 THR A 231 -2.720 40.835 5.437 1.00 0.00 O ATOM 652 CG2 THR A 231 -2.292 42.033 3.402 1.00 0.00 C ATOM 0 H THR A 231 -2.499 38.423 3.949 1.00 0.00 H new ATOM 0 HA THR A 231 -0.241 40.162 3.279 1.00 0.00 H new ATOM 0 HB THR A 231 -0.910 41.729 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 231 -3.138 41.660 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 231 -2.753 42.916 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 231 -1.500 42.341 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 231 -3.045 41.467 2.853 1.00 0.00 H new ATOM 660 N LYS A 232 0.546 39.743 5.862 1.00 0.00 N ATOM 661 CA LYS A 232 1.238 39.190 7.020 1.00 0.00 C ATOM 662 C LYS A 232 0.973 40.088 8.239 1.00 0.00 C ATOM 663 O LYS A 232 1.733 41.031 8.471 1.00 0.00 O ATOM 664 CB LYS A 232 2.735 39.017 6.710 1.00 0.00 C ATOM 665 CG LYS A 232 3.421 38.203 7.820 1.00 0.00 C ATOM 666 CD LYS A 232 4.870 37.851 7.456 1.00 0.00 C ATOM 667 CE LYS A 232 5.609 37.181 8.621 1.00 0.00 C ATOM 668 NZ LYS A 232 4.980 35.913 9.039 1.00 0.00 N ATOM 0 H LYS A 232 0.833 40.697 5.645 1.00 0.00 H new ATOM 0 HA LYS A 232 0.857 38.196 7.257 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.859 38.513 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.210 39.994 6.620 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.408 38.772 8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 232 2.858 37.287 7.999 1.00 0.00 H new ATOM 0 HD2 LYS A 232 4.875 37.186 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.401 38.757 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 232 6.642 36.991 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 232 5.638 37.865 9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 5.658 35.357 9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 4.140 36.116 9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 4.698 35.371 8.197 1.00 0.00 H new ATOM 682 N PRO A 233 -0.101 39.832 9.015 1.00 0.00 N ATOM 683 CA PRO A 233 -0.371 40.554 10.255 1.00 0.00 C ATOM 684 C PRO A 233 0.665 40.210 11.339 1.00 0.00 C ATOM 685 O PRO A 233 1.448 39.268 11.197 1.00 0.00 O ATOM 686 CB PRO A 233 -1.798 40.158 10.652 1.00 0.00 C ATOM 687 CG PRO A 233 -1.957 38.758 10.067 1.00 0.00 C ATOM 688 CD PRO A 233 -1.121 38.813 8.789 1.00 0.00 C ATOM 0 HA PRO A 233 -0.291 41.634 10.129 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -1.928 40.157 11.734 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -2.535 40.850 10.243 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -1.594 37.992 10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -3.001 38.527 9.855 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.665 37.845 8.580 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.741 39.066 7.929 1.00 0.00 H new ATOM 696 N ARG A 234 0.649 40.981 12.435 1.00 0.00 N ATOM 697 CA ARG A 234 1.573 40.859 13.553 1.00 0.00 C ATOM 698 C ARG A 234 0.795 41.062 14.851 1.00 0.00 C ATOM 699 O ARG A 234 -0.019 41.975 14.987 1.00 0.00 O ATOM 700 CB ARG A 234 2.709 41.879 13.408 1.00 0.00 C ATOM 701 CG ARG A 234 3.804 41.708 14.471 1.00 0.00 C ATOM 702 CD ARG A 234 4.915 42.743 14.269 1.00 0.00 C ATOM 703 NE ARG A 234 5.973 42.593 15.281 1.00 0.00 N ATOM 704 CZ ARG A 234 6.972 43.461 15.500 1.00 0.00 C ATOM 705 NH1 ARG A 234 7.096 44.584 14.789 1.00 0.00 N ATOM 706 NH2 ARG A 234 7.868 43.200 16.453 1.00 0.00 N ATOM 0 H ARG A 234 -0.033 41.729 12.564 1.00 0.00 H new ATOM 0 HA ARG A 234 2.027 39.868 13.567 1.00 0.00 H new ATOM 0 HB2 ARG A 234 3.153 41.782 12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 234 2.297 42.886 13.476 1.00 0.00 H new ATOM 0 HG2 ARG A 234 3.373 41.818 15.466 1.00 0.00 H new ATOM 0 HG3 ARG A 234 4.221 40.703 14.413 1.00 0.00 H new ATOM 0 HD2 ARG A 234 5.343 42.631 13.273 1.00 0.00 H new ATOM 0 HD3 ARG A 234 4.495 43.747 14.325 1.00 0.00 H new ATOM 0 HE ARG A 234 5.944 41.758 15.866 1.00 0.00 H new ATOM 0 HH11 ARG A 234 6.420 44.801 14.056 1.00 0.00 H new ATOM 0 HH12 ARG A 234 7.866 45.225 14.978 1.00 0.00 H new ATOM 0 HH21 ARG A 234 7.790 42.347 17.007 1.00 0.00 H new ATOM 0 HH22 ARG A 234 8.632 43.853 16.628 1.00 0.00 H new ATOM 720 N GLY A 235 1.076 40.152 15.778 1.00 0.00 N ATOM 721 CA GLY A 235 0.362 39.948 17.031 1.00 0.00 C ATOM 722 C GLY A 235 -0.071 38.485 17.163 1.00 0.00 C ATOM 723 O GLY A 235 0.335 37.631 16.371 1.00 0.00 O ATOM 0 H GLY A 235 1.853 39.500 15.667 1.00 0.00 H new ATOM 0 HA2 GLY A 235 1.001 40.223 17.870 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -0.512 40.598 17.070 1.00 0.00 H new ATOM 727 N LYS A 236 -0.920 38.206 18.161 1.00 0.00 N ATOM 728 CA LYS A 236 -1.597 36.928 18.304 1.00 0.00 C ATOM 729 C LYS A 236 -2.533 36.718 17.111 1.00 0.00 C ATOM 730 O LYS A 236 -3.333 37.581 16.747 1.00 0.00 O ATOM 731 CB LYS A 236 -2.301 36.839 19.674 1.00 0.00 C ATOM 732 CG LYS A 236 -3.516 37.763 19.883 1.00 0.00 C ATOM 733 CD LYS A 236 -4.845 37.045 19.603 1.00 0.00 C ATOM 734 CE LYS A 236 -6.007 38.037 19.600 1.00 0.00 C ATOM 735 NZ LYS A 236 -7.282 37.358 19.304 1.00 0.00 N ATOM 0 H LYS A 236 -1.153 38.874 18.895 1.00 0.00 H new ATOM 0 HA LYS A 236 -0.877 36.109 18.292 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -2.625 35.809 19.825 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -1.567 37.059 20.450 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -3.515 38.136 20.907 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.428 38.630 19.228 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -4.793 36.536 18.641 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.016 36.279 20.360 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -6.071 38.531 20.570 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -5.824 38.814 18.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -8.055 38.054 19.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -7.226 36.908 18.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -7.465 36.633 20.027 1.00 0.00 H new ATOM 749 N TRP A 237 -2.402 35.536 16.520 1.00 0.00 N ATOM 750 CA TRP A 237 -3.167 35.031 15.400 1.00 0.00 C ATOM 751 C TRP A 237 -3.533 33.575 15.686 1.00 0.00 C ATOM 752 O TRP A 237 -2.778 32.833 16.318 1.00 0.00 O ATOM 753 CB TRP A 237 -2.322 35.168 14.130 1.00 0.00 C ATOM 754 CG TRP A 237 -2.899 34.558 12.895 1.00 0.00 C ATOM 755 CD1 TRP A 237 -3.599 35.179 11.927 1.00 0.00 C ATOM 756 CD2 TRP A 237 -2.829 33.167 12.489 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.981 34.263 10.961 1.00 0.00 N ATOM 758 CE2 TRP A 237 -3.534 32.991 11.267 1.00 0.00 C ATOM 759 CE3 TRP A 237 -2.240 32.038 13.075 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -3.641 31.731 10.656 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -2.357 30.769 12.490 1.00 0.00 C ATOM 762 CH2 TRP A 237 -3.043 30.617 11.271 1.00 0.00 C ATOM 0 H TRP A 237 -1.706 34.861 16.839 1.00 0.00 H new ATOM 0 HA TRP A 237 -4.089 35.595 15.256 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -2.151 36.228 13.943 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -1.348 34.716 14.314 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.828 36.234 11.907 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.523 34.497 10.129 1.00 0.00 H new ATOM 0 HE3 TRP A 237 -1.685 32.148 13.995 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -4.176 31.619 9.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 -1.921 29.908 12.975 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -3.110 29.644 10.807 1.00 0.00 H new ATOM 773 N PHE A 238 -4.712 33.185 15.200 1.00 0.00 N ATOM 774 CA PHE A 238 -5.328 31.893 15.460 1.00 0.00 C ATOM 775 C PHE A 238 -5.764 31.258 14.142 1.00 0.00 C ATOM 776 O PHE A 238 -6.409 31.899 13.311 1.00 0.00 O ATOM 777 CB PHE A 238 -6.509 32.053 16.432 1.00 0.00 C ATOM 778 CG PHE A 238 -6.158 32.164 17.912 1.00 0.00 C ATOM 779 CD1 PHE A 238 -5.391 33.238 18.411 1.00 0.00 C ATOM 780 CD2 PHE A 238 -6.633 31.190 18.814 1.00 0.00 C ATOM 781 CE1 PHE A 238 -5.053 33.298 19.774 1.00 0.00 C ATOM 782 CE2 PHE A 238 -6.329 31.272 20.183 1.00 0.00 C ATOM 783 CZ PHE A 238 -5.523 32.318 20.662 1.00 0.00 C ATOM 0 H PHE A 238 -5.278 33.781 14.597 1.00 0.00 H new ATOM 0 HA PHE A 238 -4.603 31.230 15.932 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -7.069 32.943 16.146 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -7.176 31.201 16.302 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -5.062 34.019 17.742 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -7.237 30.372 18.449 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -4.430 34.101 20.139 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -6.715 30.531 20.867 1.00 0.00 H new ATOM 0 HZ PHE A 238 -5.266 32.368 21.710 1.00 0.00 H new ATOM 793 N CYS A 239 -5.398 29.980 13.976 1.00 0.00 N ATOM 794 CA CYS A 239 -5.702 29.188 12.795 1.00 0.00 C ATOM 795 C CYS A 239 -7.208 28.878 12.677 1.00 0.00 C ATOM 796 O CYS A 239 -7.946 29.075 13.647 1.00 0.00 O ATOM 797 CB CYS A 239 -4.787 27.957 12.785 1.00 0.00 C ATOM 798 SG CYS A 239 -5.457 26.558 13.717 1.00 0.00 S ATOM 0 H CYS A 239 -4.871 29.464 14.680 1.00 0.00 H new ATOM 0 HA CYS A 239 -5.490 29.758 11.890 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -4.616 27.649 11.754 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -3.817 28.231 13.201 1.00 0.00 H new ATOM 0 HG CYS A 239 -5.352 26.795 14.991 1.00 0.00 H new ATOM 804 N PRO A 240 -7.693 28.393 11.515 1.00 0.00 N ATOM 805 CA PRO A 240 -9.120 28.175 11.289 1.00 0.00 C ATOM 806 C PRO A 240 -9.692 26.922 11.974 1.00 0.00 C ATOM 807 O PRO A 240 -10.847 26.573 11.738 1.00 0.00 O ATOM 808 CB PRO A 240 -9.294 28.149 9.768 1.00 0.00 C ATOM 809 CG PRO A 240 -7.963 27.584 9.287 1.00 0.00 C ATOM 810 CD PRO A 240 -6.952 28.146 10.285 1.00 0.00 C ATOM 0 HA PRO A 240 -9.697 28.976 11.751 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -10.133 27.521 9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -9.481 29.144 9.365 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -7.966 26.494 9.290 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -7.738 27.899 8.268 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -6.139 27.440 10.455 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -6.503 29.065 9.909 1.00 0.00 H new ATOM 818 N ARG A 241 -8.901 26.282 12.845 1.00 0.00 N ATOM 819 CA ARG A 241 -9.291 25.197 13.734 1.00 0.00 C ATOM 820 C ARG A 241 -9.001 25.560 15.202 1.00 0.00 C ATOM 821 O ARG A 241 -8.987 24.681 16.062 1.00 0.00 O ATOM 822 CB ARG A 241 -8.620 23.884 13.294 1.00 0.00 C ATOM 823 CG ARG A 241 -9.082 23.445 11.895 1.00 0.00 C ATOM 824 CD ARG A 241 -8.486 22.086 11.517 1.00 0.00 C ATOM 825 NE ARG A 241 -8.957 21.657 10.191 1.00 0.00 N ATOM 826 CZ ARG A 241 -8.488 20.613 9.492 1.00 0.00 C ATOM 827 NH1 ARG A 241 -7.507 19.838 9.960 1.00 0.00 N ATOM 828 NH2 ARG A 241 -9.013 20.339 8.297 1.00 0.00 N ATOM 0 H ARG A 241 -7.916 26.527 12.948 1.00 0.00 H new ATOM 0 HA ARG A 241 -10.368 25.043 13.665 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -7.537 24.011 13.296 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -8.850 23.099 14.015 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -10.170 23.388 11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -8.785 24.193 11.160 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.398 22.149 11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -8.763 21.342 12.264 1.00 0.00 H new ATOM 0 HE ARG A 241 -9.707 22.202 9.765 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -7.094 20.033 10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -7.171 19.051 9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -9.763 20.921 7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -8.664 19.548 7.756 1.00 0.00 H new ATOM 842 N CYS A 242 -8.772 26.854 15.490 1.00 0.00 N ATOM 843 CA CYS A 242 -8.449 27.390 16.795 1.00 0.00 C ATOM 844 C CYS A 242 -9.271 28.638 17.155 1.00 0.00 C ATOM 845 O CYS A 242 -9.425 28.906 18.346 1.00 0.00 O ATOM 846 CB CYS A 242 -6.955 27.723 16.813 1.00 0.00 C ATOM 847 SG CYS A 242 -5.936 26.238 17.056 1.00 0.00 S ATOM 0 H CYS A 242 -8.813 27.578 14.773 1.00 0.00 H new ATOM 0 HA CYS A 242 -8.698 26.638 17.543 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -6.678 28.204 15.875 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -6.751 28.438 17.610 1.00 0.00 H new ATOM 0 HG CYS A 242 -4.679 26.570 17.062 1.00 0.00 H new ATOM 853 N SER A 243 -9.818 29.382 16.176 1.00 0.00 N ATOM 854 CA SER A 243 -10.725 30.503 16.448 1.00 0.00 C ATOM 855 C SER A 243 -11.698 30.793 15.302 1.00 0.00 C ATOM 856 O SER A 243 -12.839 31.159 15.580 1.00 0.00 O ATOM 857 CB SER A 243 -9.914 31.765 16.769 1.00 0.00 C ATOM 858 OG SER A 243 -10.754 32.815 17.203 1.00 0.00 O ATOM 0 H SER A 243 -9.643 29.222 15.184 1.00 0.00 H new ATOM 0 HA SER A 243 -11.330 30.209 17.306 1.00 0.00 H new ATOM 0 HB2 SER A 243 -9.178 31.541 17.542 1.00 0.00 H new ATOM 0 HB3 SER A 243 -9.361 32.080 15.884 1.00 0.00 H new ATOM 0 HG SER A 243 -10.212 33.607 17.402 1.00 0.00 H new ATOM 864 N GLN A 244 -11.288 30.602 14.038 1.00 0.00 N ATOM 865 CA GLN A 244 -12.189 30.787 12.891 1.00 0.00 C ATOM 866 C GLN A 244 -13.174 29.612 12.735 1.00 0.00 C ATOM 867 O GLN A 244 -14.103 29.697 11.933 1.00 0.00 O ATOM 868 CB GLN A 244 -11.392 31.030 11.595 1.00 0.00 C ATOM 869 CG GLN A 244 -12.065 32.035 10.646 1.00 0.00 C ATOM 870 CD GLN A 244 -12.163 33.458 11.208 1.00 0.00 C ATOM 871 OE1 GLN A 244 -11.389 33.865 12.070 1.00 0.00 O ATOM 872 NE2 GLN A 244 -13.131 34.232 10.719 1.00 0.00 N ATOM 0 H GLN A 244 -10.341 30.320 13.786 1.00 0.00 H new ATOM 0 HA GLN A 244 -12.787 31.677 13.089 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -10.397 31.394 11.852 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -11.260 30.081 11.074 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.508 32.063 9.710 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -13.068 31.679 10.409 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -13.761 33.870 10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -13.242 35.187 11.060 1.00 0.00 H new ATOM 881 N GLU A 245 -12.988 28.536 13.517 1.00 0.00 N ATOM 882 CA GLU A 245 -13.930 27.431 13.660 1.00 0.00 C ATOM 883 C GLU A 245 -15.221 27.874 14.377 1.00 0.00 C ATOM 884 O GLU A 245 -16.281 27.296 14.141 1.00 0.00 O ATOM 885 CB GLU A 245 -13.213 26.314 14.433 1.00 0.00 C ATOM 886 CG GLU A 245 -13.904 24.952 14.314 1.00 0.00 C ATOM 887 CD GLU A 245 -13.026 23.852 14.913 1.00 0.00 C ATOM 888 OE1 GLU A 245 -13.157 23.616 16.134 1.00 0.00 O ATOM 889 OE2 GLU A 245 -12.224 23.277 14.143 1.00 0.00 O ATOM 0 H GLU A 245 -12.148 28.414 14.083 1.00 0.00 H new ATOM 0 HA GLU A 245 -14.240 27.073 12.678 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -12.190 26.227 14.067 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.152 26.592 15.485 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -14.865 24.979 14.828 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -14.109 24.732 13.266 1.00 0.00 H new ATOM 896 N ARG A 246 -15.133 28.920 15.216 1.00 0.00 N ATOM 897 CA ARG A 246 -16.266 29.601 15.841 1.00 0.00 C ATOM 898 C ARG A 246 -16.970 30.506 14.815 1.00 0.00 C ATOM 899 O ARG A 246 -16.390 30.863 13.788 1.00 0.00 O ATOM 900 CB ARG A 246 -15.726 30.419 17.033 1.00 0.00 C ATOM 901 CG ARG A 246 -16.764 30.898 18.062 1.00 0.00 C ATOM 902 CD ARG A 246 -17.451 29.732 18.785 1.00 0.00 C ATOM 903 NE ARG A 246 -18.373 30.204 19.830 1.00 0.00 N ATOM 904 CZ ARG A 246 -18.034 30.598 21.068 1.00 0.00 C ATOM 905 NH1 ARG A 246 -16.763 30.623 21.479 1.00 0.00 N ATOM 906 NH2 ARG A 246 -18.990 30.976 21.916 1.00 0.00 N ATOM 0 H ARG A 246 -14.236 29.325 15.483 1.00 0.00 H new ATOM 0 HA ARG A 246 -17.003 28.881 16.196 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -14.983 29.814 17.553 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -15.207 31.293 16.640 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -16.275 31.540 18.795 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -17.517 31.505 17.559 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -18.000 29.129 18.062 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -16.696 29.086 19.232 1.00 0.00 H new ATOM 0 HE ARG A 246 -19.364 30.235 19.591 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -16.016 30.337 20.845 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -16.539 30.928 22.426 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -19.967 30.964 21.622 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -18.745 31.277 22.859 1.00 0.00 H new ATOM 920 N LYS A 247 -18.206 30.920 15.126 1.00 0.00 N ATOM 921 CA LYS A 247 -19.020 31.792 14.284 1.00 0.00 C ATOM 922 C LYS A 247 -19.143 33.158 14.971 1.00 0.00 C ATOM 923 O LYS A 247 -19.860 33.291 15.963 1.00 0.00 O ATOM 924 CB LYS A 247 -20.379 31.116 14.003 1.00 0.00 C ATOM 925 CG LYS A 247 -20.948 31.460 12.618 1.00 0.00 C ATOM 926 CD LYS A 247 -20.208 30.711 11.497 1.00 0.00 C ATOM 927 CE LYS A 247 -20.865 30.980 10.141 1.00 0.00 C ATOM 928 NZ LYS A 247 -20.199 30.221 9.066 1.00 0.00 N ATOM 0 H LYS A 247 -18.674 30.649 15.991 1.00 0.00 H new ATOM 0 HA LYS A 247 -18.555 31.959 13.312 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -20.264 30.035 14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -21.094 31.419 14.768 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -22.008 31.207 12.587 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -20.872 32.534 12.450 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -19.165 31.026 11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -20.213 29.641 11.703 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -21.919 30.706 10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -20.822 32.046 9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -20.665 30.423 8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -19.199 30.501 9.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -20.263 29.203 9.269 1.00 0.00 H new ATOM 942 N LYS A 248 -18.398 34.145 14.445 1.00 0.00 N ATOM 943 CA LYS A 248 -18.172 35.475 15.022 1.00 0.00 C ATOM 944 C LYS A 248 -17.884 35.415 16.533 1.00 0.00 C ATOM 945 O LYS A 248 -18.733 35.759 17.355 1.00 0.00 O ATOM 946 CB LYS A 248 -19.299 36.445 14.617 1.00 0.00 C ATOM 947 CG LYS A 248 -18.928 37.907 14.937 1.00 0.00 C ATOM 948 CD LYS A 248 -19.996 38.919 14.497 1.00 0.00 C ATOM 949 CE LYS A 248 -20.102 39.015 12.972 1.00 0.00 C ATOM 950 NZ LYS A 248 -21.057 40.062 12.563 1.00 0.00 N ATOM 0 H LYS A 248 -17.912 34.026 13.556 1.00 0.00 H new ATOM 0 HA LYS A 248 -17.258 35.889 14.596 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -19.501 36.345 13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -20.216 36.178 15.142 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -18.765 38.006 16.010 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -17.985 38.150 14.448 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -20.962 38.629 14.910 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -19.756 39.900 14.906 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -19.120 39.231 12.551 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -20.418 38.054 12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -21.106 40.101 11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -21.999 39.842 12.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -20.741 40.982 12.930 1.00 0.00 H new ATOM 964 N LYS A 249 -16.677 34.935 16.873 1.00 0.00 N ATOM 965 CA LYS A 249 -16.151 34.863 18.236 1.00 0.00 C ATOM 966 C LYS A 249 -16.168 36.246 18.900 1.00 0.00 C ATOM 967 O LYS A 249 -16.748 36.332 20.004 1.00 0.00 O ATOM 968 CB LYS A 249 -14.741 34.242 18.197 1.00 0.00 C ATOM 969 CG LYS A 249 -14.164 33.867 19.575 1.00 0.00 C ATOM 970 CD LYS A 249 -13.470 35.030 20.300 1.00 0.00 C ATOM 971 CE LYS A 249 -12.907 34.559 21.642 1.00 0.00 C ATOM 972 NZ LYS A 249 -12.298 35.677 22.387 1.00 0.00 N ATOM 973 OXT LYS A 249 -15.581 37.180 18.310 1.00 0.00 O ATOM 0 H LYS A 249 -16.022 34.575 16.179 1.00 0.00 H new ATOM 0 HA LYS A 249 -16.787 34.223 18.848 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -14.770 33.347 17.575 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -14.063 34.945 17.713 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -14.970 33.489 20.204 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -13.450 33.053 19.449 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -12.666 35.426 19.680 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -14.179 35.842 20.460 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -13.704 34.113 22.237 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -12.162 33.782 21.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -11.925 35.328 23.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -11.523 36.086 21.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -13.017 36.407 22.567 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -0.430 24.550 3.352 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -2.959 26.234 15.344 1.00 0.00 ZN