USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, 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 214 ASNHD21 : A 214 ASN OD1 : A 251 ZNZN :(metal ligand) USER MOD NoAdj : A 214 ASNHD22 : A 214 ASN OD1 : A 251 ZNZN :(metal ligand) USER MOD NoAdj-H: A 223 HIS HD1 : A 223 HIS ND1 : A 250 ZNZN :(H bumps) USER MOD Set 1.1: A 212 CYS SG : rot -60:sc= -6.71! USER MOD Set 1.2: A 217 CYS SG : rot -169:sc= 1.5 USER MOD Set 1.3: A 239 CYS SG : rot 150:sc= 0.521 USER MOD Set 1.4: A 242 CYS SG : rot 107:sc= 1.38 USER MOD Set 2.1: A 199 CYS SG : rot 10:sc= -1.71! USER MOD Set 2.2: A 203 GLN : amide:sc= -0.0572 K(o=-1.8,f=-3.7!) USER MOD Set 3.1: A 197 THR OG1 : rot -150:sc= 0 USER MOD Set 3.2: A 202 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 187 MET CE :methyl 175:sc= 0 (180deg=-0.0305) USER MOD Single : A 189 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 TYR OH : rot 180:sc= 0 USER MOD Single : A 205 SER OG : rot 180:sc= 0 USER MOD Single : A 206 TYR OH : rot -77:sc= 0 USER MOD Single : A 209 MET CE :methyl -145:sc= -0.0361 (180deg=-1.57) USER MOD Single : A 218 SER OG : rot -42:sc= 0.157 USER MOD Single : A 226 CYS SG : rot 97:sc= -0.105 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+ 180:sc= 0 (180deg=0) 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= -0.321 X(o=-0.32,f=-0.44) USER MOD Single : A 247 LYS NZ :NH3+ -139:sc= -0.0699 (180deg=-1.37!) 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 -0.555 3.099 -4.512 1.00 0.00 N ATOM 2 CA MET A 187 -0.750 3.389 -3.079 1.00 0.00 C ATOM 3 C MET A 187 0.431 4.221 -2.585 1.00 0.00 C ATOM 4 O MET A 187 1.473 3.682 -2.215 1.00 0.00 O ATOM 5 CB MET A 187 -0.963 2.095 -2.279 1.00 0.00 C ATOM 6 CG MET A 187 -1.306 2.386 -0.813 1.00 0.00 C ATOM 7 SD MET A 187 -1.727 0.925 0.178 1.00 0.00 S ATOM 8 CE MET A 187 -0.119 0.088 0.245 1.00 0.00 C ATOM 0 HA MET A 187 -1.658 3.974 -2.929 1.00 0.00 H new ATOM 0 HB2 MET A 187 -1.766 1.515 -2.733 1.00 0.00 H new ATOM 0 HB3 MET A 187 -0.062 1.484 -2.328 1.00 0.00 H new ATOM 0 HG2 MET A 187 -0.457 2.889 -0.349 1.00 0.00 H new ATOM 0 HG3 MET A 187 -2.145 3.082 -0.782 1.00 0.00 H new ATOM 0 HE1 MET A 187 -0.190 -0.784 0.895 1.00 0.00 H new ATOM 0 HE2 MET A 187 0.168 -0.229 -0.758 1.00 0.00 H new ATOM 0 HE3 MET A 187 0.632 0.773 0.638 1.00 0.00 H new ATOM 20 N ASP A 188 0.258 5.545 -2.652 1.00 0.00 N ATOM 21 CA ASP A 188 1.316 6.536 -2.471 1.00 0.00 C ATOM 22 C ASP A 188 0.719 7.929 -2.208 1.00 0.00 C ATOM 23 O ASP A 188 -0.497 8.120 -2.274 1.00 0.00 O ATOM 24 CB ASP A 188 2.205 6.541 -3.732 1.00 0.00 C ATOM 25 CG ASP A 188 1.405 6.752 -5.023 1.00 0.00 C ATOM 26 OD1 ASP A 188 0.928 5.733 -5.575 1.00 0.00 O ATOM 27 OD2 ASP A 188 1.274 7.927 -5.430 1.00 0.00 O ATOM 0 H ASP A 188 -0.652 5.966 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 188 1.921 6.276 -1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 188 2.953 7.329 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.744 5.596 -3.795 1.00 0.00 H new ATOM 32 N MET A 189 1.598 8.901 -1.923 1.00 0.00 N ATOM 33 CA MET A 189 1.259 10.295 -1.641 1.00 0.00 C ATOM 34 C MET A 189 2.248 11.230 -2.363 1.00 0.00 C ATOM 35 O MET A 189 3.391 10.835 -2.602 1.00 0.00 O ATOM 36 CB MET A 189 1.305 10.554 -0.120 1.00 0.00 C ATOM 37 CG MET A 189 0.112 9.970 0.648 1.00 0.00 C ATOM 38 SD MET A 189 0.227 8.214 1.090 1.00 0.00 S ATOM 39 CE MET A 189 -1.423 7.991 1.805 1.00 0.00 C ATOM 0 H MET A 189 2.602 8.726 -1.882 1.00 0.00 H new ATOM 0 HA MET A 189 0.250 10.495 -2.003 1.00 0.00 H new ATOM 0 HB2 MET A 189 2.225 10.131 0.283 1.00 0.00 H new ATOM 0 HB3 MET A 189 1.345 11.629 0.054 1.00 0.00 H new ATOM 0 HG2 MET A 189 -0.021 10.546 1.564 1.00 0.00 H new ATOM 0 HG3 MET A 189 -0.786 10.114 0.047 1.00 0.00 H new ATOM 0 HE1 MET A 189 -1.539 6.959 2.137 1.00 0.00 H new ATOM 0 HE2 MET A 189 -1.545 8.662 2.655 1.00 0.00 H new ATOM 0 HE3 MET A 189 -2.179 8.217 1.053 1.00 0.00 H new ATOM 49 N PRO A 190 1.848 12.482 -2.679 1.00 0.00 N ATOM 50 CA PRO A 190 2.703 13.471 -3.343 1.00 0.00 C ATOM 51 C PRO A 190 3.807 14.051 -2.436 1.00 0.00 C ATOM 52 O PRO A 190 4.618 14.846 -2.909 1.00 0.00 O ATOM 53 CB PRO A 190 1.744 14.562 -3.833 1.00 0.00 C ATOM 54 CG PRO A 190 0.620 14.524 -2.801 1.00 0.00 C ATOM 55 CD PRO A 190 0.515 13.036 -2.475 1.00 0.00 C ATOM 0 HA PRO A 190 3.259 13.005 -4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 190 2.228 15.538 -3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 190 1.376 14.354 -4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 190 0.861 15.116 -1.918 1.00 0.00 H new ATOM 0 HG3 PRO A 190 -0.313 14.917 -3.204 1.00 0.00 H new ATOM 0 HD2 PRO A 190 0.183 12.885 -1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 190 -0.214 12.546 -3.121 1.00 0.00 H new ATOM 63 N VAL A 191 3.854 13.646 -1.158 1.00 0.00 N ATOM 64 CA VAL A 191 4.930 13.939 -0.219 1.00 0.00 C ATOM 65 C VAL A 191 5.090 12.746 0.724 1.00 0.00 C ATOM 66 O VAL A 191 4.116 12.131 1.162 1.00 0.00 O ATOM 67 CB VAL A 191 4.685 15.273 0.522 1.00 0.00 C ATOM 68 CG1 VAL A 191 3.365 15.326 1.311 1.00 0.00 C ATOM 69 CG2 VAL A 191 5.851 15.633 1.454 1.00 0.00 C ATOM 0 H VAL A 191 3.112 13.084 -0.741 1.00 0.00 H new ATOM 0 HA VAL A 191 5.869 14.079 -0.755 1.00 0.00 H new ATOM 0 HB VAL A 191 4.610 16.013 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 191 3.272 16.296 1.800 1.00 0.00 H new ATOM 0 HG12 VAL A 191 2.527 15.182 0.629 1.00 0.00 H new ATOM 0 HG13 VAL A 191 3.359 14.538 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 191 5.638 16.577 1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 191 5.977 14.847 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 191 6.767 15.730 0.871 1.00 0.00 H new ATOM 79 N ASP A 192 6.354 12.426 0.996 1.00 0.00 N ATOM 80 CA ASP A 192 6.774 11.271 1.782 1.00 0.00 C ATOM 81 C ASP A 192 6.533 11.477 3.287 1.00 0.00 C ATOM 82 O ASP A 192 6.556 12.614 3.761 1.00 0.00 O ATOM 83 CB ASP A 192 8.274 11.026 1.542 1.00 0.00 C ATOM 84 CG ASP A 192 8.552 10.551 0.118 1.00 0.00 C ATOM 85 OD1 ASP A 192 8.508 9.318 -0.084 1.00 0.00 O ATOM 86 OD2 ASP A 192 8.799 11.425 -0.742 1.00 0.00 O ATOM 0 H ASP A 192 7.140 12.984 0.663 1.00 0.00 H new ATOM 0 HA ASP A 192 6.181 10.413 1.465 1.00 0.00 H new ATOM 0 HB2 ASP A 192 8.827 11.946 1.733 1.00 0.00 H new ATOM 0 HB3 ASP A 192 8.638 10.282 2.251 1.00 0.00 H new ATOM 91 N PRO A 193 6.388 10.385 4.068 1.00 0.00 N ATOM 92 CA PRO A 193 6.402 10.431 5.529 1.00 0.00 C ATOM 93 C PRO A 193 7.826 10.651 6.089 1.00 0.00 C ATOM 94 O PRO A 193 8.006 10.659 7.306 1.00 0.00 O ATOM 95 CB PRO A 193 5.809 9.088 5.967 1.00 0.00 C ATOM 96 CG PRO A 193 6.256 8.134 4.863 1.00 0.00 C ATOM 97 CD PRO A 193 6.225 9.010 3.610 1.00 0.00 C ATOM 0 HA PRO A 193 5.826 11.272 5.915 1.00 0.00 H new ATOM 0 HB2 PRO A 193 6.186 8.780 6.942 1.00 0.00 H new ATOM 0 HB3 PRO A 193 4.723 9.133 6.045 1.00 0.00 H new ATOM 0 HG2 PRO A 193 7.254 7.738 5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 193 5.585 7.279 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 193 7.023 8.732 2.922 1.00 0.00 H new ATOM 0 HD3 PRO A 193 5.284 8.888 3.073 1.00 0.00 H new ATOM 105 N ASN A 194 8.823 10.841 5.207 1.00 0.00 N ATOM 106 CA ASN A 194 10.239 11.035 5.514 1.00 0.00 C ATOM 107 C ASN A 194 10.706 12.436 5.080 1.00 0.00 C ATOM 108 O ASN A 194 11.859 12.627 4.695 1.00 0.00 O ATOM 109 CB ASN A 194 11.055 9.919 4.837 1.00 0.00 C ATOM 110 CG ASN A 194 10.508 8.520 5.118 1.00 0.00 C ATOM 111 OD1 ASN A 194 10.629 8.007 6.226 1.00 0.00 O ATOM 112 ND2 ASN A 194 9.894 7.900 4.111 1.00 0.00 N ATOM 0 H ASN A 194 8.644 10.863 4.203 1.00 0.00 H new ATOM 0 HA ASN A 194 10.395 10.974 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 194 11.067 10.088 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 194 12.088 9.974 5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 194 9.505 6.967 4.248 1.00 0.00 H new ATOM 0 HD22 ASN A 194 9.813 8.358 3.203 1.00 0.00 H new ATOM 119 N GLU A 195 9.783 13.404 5.123 1.00 0.00 N ATOM 120 CA GLU A 195 9.948 14.771 4.641 1.00 0.00 C ATOM 121 C GLU A 195 9.192 15.712 5.598 1.00 0.00 C ATOM 122 O GLU A 195 8.024 15.448 5.893 1.00 0.00 O ATOM 123 CB GLU A 195 9.389 14.848 3.207 1.00 0.00 C ATOM 124 CG GLU A 195 9.520 16.227 2.539 1.00 0.00 C ATOM 125 CD GLU A 195 10.961 16.690 2.299 1.00 0.00 C ATOM 126 OE1 GLU A 195 11.836 15.822 2.088 1.00 0.00 O ATOM 127 OE2 GLU A 195 11.166 17.924 2.325 1.00 0.00 O ATOM 0 H GLU A 195 8.856 13.242 5.516 1.00 0.00 H new ATOM 0 HA GLU A 195 10.996 15.070 4.618 1.00 0.00 H new ATOM 0 HB2 GLU A 195 9.904 14.111 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 195 8.336 14.568 3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 195 8.997 16.203 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 195 9.015 16.966 3.161 1.00 0.00 H new ATOM 134 N PRO A 196 9.821 16.798 6.097 1.00 0.00 N ATOM 135 CA PRO A 196 9.210 17.697 7.073 1.00 0.00 C ATOM 136 C PRO A 196 8.073 18.542 6.481 1.00 0.00 C ATOM 137 O PRO A 196 7.925 18.676 5.266 1.00 0.00 O ATOM 138 CB PRO A 196 10.353 18.575 7.600 1.00 0.00 C ATOM 139 CG PRO A 196 11.344 18.596 6.441 1.00 0.00 C ATOM 140 CD PRO A 196 11.203 17.191 5.864 1.00 0.00 C ATOM 0 HA PRO A 196 8.735 17.127 7.871 1.00 0.00 H new ATOM 0 HB2 PRO A 196 10.007 19.578 7.851 1.00 0.00 H new ATOM 0 HB3 PRO A 196 10.798 18.156 8.502 1.00 0.00 H new ATOM 0 HG2 PRO A 196 11.095 19.363 5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 196 12.361 18.796 6.779 1.00 0.00 H new ATOM 0 HD2 PRO A 196 11.437 17.181 4.799 1.00 0.00 H new ATOM 0 HD3 PRO A 196 11.892 16.499 6.348 1.00 0.00 H new ATOM 148 N THR A 197 7.282 19.129 7.386 1.00 0.00 N ATOM 149 CA THR A 197 6.116 19.957 7.109 1.00 0.00 C ATOM 150 C THR A 197 6.068 21.102 8.130 1.00 0.00 C ATOM 151 O THR A 197 6.905 21.193 9.031 1.00 0.00 O ATOM 152 CB THR A 197 4.822 19.111 7.161 1.00 0.00 C ATOM 153 OG1 THR A 197 4.549 18.702 8.485 1.00 0.00 O ATOM 154 CG2 THR A 197 4.848 17.867 6.264 1.00 0.00 C ATOM 0 H THR A 197 7.453 19.030 8.387 1.00 0.00 H new ATOM 0 HA THR A 197 6.192 20.374 6.105 1.00 0.00 H new ATOM 0 HB THR A 197 4.039 19.768 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 197 4.076 17.844 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 197 3.904 17.330 6.359 1.00 0.00 H new ATOM 0 HG22 THR A 197 4.991 18.169 5.227 1.00 0.00 H new ATOM 0 HG23 THR A 197 5.668 17.216 6.568 1.00 0.00 H new ATOM 162 N TYR A 198 5.055 21.961 7.989 1.00 0.00 N ATOM 163 CA TYR A 198 4.794 23.065 8.913 1.00 0.00 C ATOM 164 C TYR A 198 3.300 23.213 9.216 1.00 0.00 C ATOM 165 O TYR A 198 2.895 23.029 10.359 1.00 0.00 O ATOM 166 CB TYR A 198 5.359 24.366 8.322 1.00 0.00 C ATOM 167 CG TYR A 198 6.847 24.604 8.496 1.00 0.00 C ATOM 168 CD1 TYR A 198 7.413 24.627 9.786 1.00 0.00 C ATOM 169 CD2 TYR A 198 7.653 24.886 7.374 1.00 0.00 C ATOM 170 CE1 TYR A 198 8.776 24.922 9.958 1.00 0.00 C ATOM 171 CE2 TYR A 198 9.017 25.186 7.538 1.00 0.00 C ATOM 172 CZ TYR A 198 9.583 25.207 8.834 1.00 0.00 C ATOM 173 OH TYR A 198 10.903 25.509 9.000 1.00 0.00 O ATOM 0 H TYR A 198 4.386 21.908 7.221 1.00 0.00 H new ATOM 0 HA TYR A 198 5.290 22.847 9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 198 5.135 24.381 7.255 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.826 25.204 8.772 1.00 0.00 H new ATOM 0 HD1 TYR A 198 6.796 24.417 10.647 1.00 0.00 H new ATOM 0 HD2 TYR A 198 7.221 24.872 6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 198 9.206 24.931 10.949 1.00 0.00 H new ATOM 0 HE2 TYR A 198 9.631 25.400 6.676 1.00 0.00 H new ATOM 0 HH TYR A 198 11.313 25.677 8.126 1.00 0.00 H new ATOM 183 N CYS A 199 2.496 23.532 8.196 1.00 0.00 N ATOM 184 CA CYS A 199 1.055 23.726 8.206 1.00 0.00 C ATOM 185 C CYS A 199 0.264 22.500 8.657 1.00 0.00 C ATOM 186 O CYS A 199 0.762 21.373 8.632 1.00 0.00 O ATOM 187 CB CYS A 199 0.636 24.082 6.774 1.00 0.00 C ATOM 188 SG CYS A 199 1.397 22.973 5.565 1.00 0.00 S ATOM 0 H CYS A 199 2.879 23.672 7.261 1.00 0.00 H new ATOM 0 HA CYS A 199 0.832 24.513 8.927 1.00 0.00 H new ATOM 0 HB2 CYS A 199 -0.449 24.027 6.687 1.00 0.00 H new ATOM 0 HB3 CYS A 199 0.922 25.111 6.556 1.00 0.00 H new ATOM 0 HG CYS A 199 1.969 21.983 6.184 1.00 0.00 H new ATOM 193 N LEU A 200 -1.022 22.739 8.964 1.00 0.00 N ATOM 194 CA LEU A 200 -1.994 21.662 9.150 1.00 0.00 C ATOM 195 C LEU A 200 -2.473 21.093 7.802 1.00 0.00 C ATOM 196 O LEU A 200 -3.306 20.188 7.783 1.00 0.00 O ATOM 197 CB LEU A 200 -3.129 22.042 10.114 1.00 0.00 C ATOM 198 CG LEU A 200 -3.979 23.262 9.734 1.00 0.00 C ATOM 199 CD1 LEU A 200 -4.854 23.060 8.487 1.00 0.00 C ATOM 200 CD2 LEU A 200 -4.908 23.607 10.908 1.00 0.00 C ATOM 0 H LEU A 200 -1.408 23.675 9.088 1.00 0.00 H new ATOM 0 HA LEU A 200 -1.480 20.842 9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -3.793 21.183 10.213 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -2.694 22.224 11.097 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.273 24.061 9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -5.421 23.970 8.289 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -4.219 22.835 7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -5.543 22.232 8.656 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.517 24.473 10.648 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -5.557 22.758 11.120 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.310 23.835 11.790 1.00 0.00 H new ATOM 212 N CYS A 201 -1.957 21.621 6.677 1.00 0.00 N ATOM 213 CA CYS A 201 -2.128 21.040 5.356 1.00 0.00 C ATOM 214 C CYS A 201 -1.174 19.847 5.167 1.00 0.00 C ATOM 215 O CYS A 201 -1.494 18.920 4.426 1.00 0.00 O ATOM 216 CB CYS A 201 -1.839 22.124 4.321 1.00 0.00 C ATOM 217 SG CYS A 201 -3.023 23.496 4.402 1.00 0.00 S ATOM 0 H CYS A 201 -1.403 22.477 6.673 1.00 0.00 H new ATOM 0 HA CYS A 201 -3.147 20.672 5.237 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -0.831 22.509 4.475 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -1.864 21.685 3.324 1.00 0.00 H new ATOM 223 N HIS A 202 -0.041 19.867 5.887 1.00 0.00 N ATOM 224 CA HIS A 202 0.920 18.780 6.055 1.00 0.00 C ATOM 225 C HIS A 202 1.717 18.482 4.784 1.00 0.00 C ATOM 226 O HIS A 202 1.800 17.344 4.321 1.00 0.00 O ATOM 227 CB HIS A 202 0.320 17.552 6.770 1.00 0.00 C ATOM 228 CG HIS A 202 0.143 17.770 8.252 1.00 0.00 C ATOM 229 ND1 HIS A 202 1.133 17.689 9.207 1.00 0.00 N ATOM 230 CD2 HIS A 202 -1.018 18.076 8.908 1.00 0.00 C ATOM 231 CE1 HIS A 202 0.579 17.962 10.400 1.00 0.00 C ATOM 232 NE2 HIS A 202 -0.736 18.206 10.272 1.00 0.00 N ATOM 0 H HIS A 202 0.241 20.703 6.399 1.00 0.00 H new ATOM 0 HA HIS A 202 1.679 19.136 6.751 1.00 0.00 H new ATOM 0 HB2 HIS A 202 -0.646 17.313 6.324 1.00 0.00 H new ATOM 0 HB3 HIS A 202 0.968 16.690 6.608 1.00 0.00 H new ATOM 0 HD2 HIS A 202 -1.989 18.197 8.450 1.00 0.00 H new ATOM 0 HE1 HIS A 202 1.118 17.983 11.336 1.00 0.00 H new ATOM 0 HE2 HIS A 202 -1.394 18.438 11.016 1.00 0.00 H new ATOM 240 N GLN A 203 2.330 19.544 4.249 1.00 0.00 N ATOM 241 CA GLN A 203 3.351 19.470 3.218 1.00 0.00 C ATOM 242 C GLN A 203 4.477 20.471 3.534 1.00 0.00 C ATOM 243 O GLN A 203 4.374 21.252 4.484 1.00 0.00 O ATOM 244 CB GLN A 203 2.723 19.595 1.815 1.00 0.00 C ATOM 245 CG GLN A 203 2.551 21.015 1.258 1.00 0.00 C ATOM 246 CD GLN A 203 1.816 21.984 2.174 1.00 0.00 C ATOM 247 OE1 GLN A 203 0.668 21.761 2.545 1.00 0.00 O ATOM 248 NE2 GLN A 203 2.476 23.082 2.531 1.00 0.00 N ATOM 0 H GLN A 203 2.118 20.500 4.534 1.00 0.00 H new ATOM 0 HA GLN A 203 3.826 18.489 3.212 1.00 0.00 H new ATOM 0 HB2 GLN A 203 3.338 19.028 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 203 1.743 19.118 1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 203 3.537 21.424 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 203 2.013 20.955 0.312 1.00 0.00 H new ATOM 0 HE21 GLN A 203 3.430 23.233 2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.028 23.773 3.133 1.00 0.00 H new ATOM 257 N VAL A 204 5.564 20.417 2.752 1.00 0.00 N ATOM 258 CA VAL A 204 6.787 21.206 2.946 1.00 0.00 C ATOM 259 C VAL A 204 6.518 22.724 2.826 1.00 0.00 C ATOM 260 O VAL A 204 5.412 23.148 2.491 1.00 0.00 O ATOM 261 CB VAL A 204 7.916 20.747 1.976 1.00 0.00 C ATOM 262 CG1 VAL A 204 9.295 20.800 2.662 1.00 0.00 C ATOM 263 CG2 VAL A 204 7.747 19.322 1.413 1.00 0.00 C ATOM 0 H VAL A 204 5.617 19.802 1.940 1.00 0.00 H new ATOM 0 HA VAL A 204 7.132 21.023 3.964 1.00 0.00 H new ATOM 0 HB VAL A 204 7.845 21.450 1.146 1.00 0.00 H new ATOM 0 HG11 VAL A 204 10.063 20.474 1.961 1.00 0.00 H new ATOM 0 HG12 VAL A 204 9.504 21.821 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 204 9.295 20.142 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 204 8.580 19.092 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 204 7.730 18.606 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 204 6.812 19.259 0.857 1.00 0.00 H new ATOM 273 N SER A 205 7.546 23.537 3.108 1.00 0.00 N ATOM 274 CA SER A 205 7.510 24.997 3.192 1.00 0.00 C ATOM 275 C SER A 205 6.870 25.697 1.984 1.00 0.00 C ATOM 276 O SER A 205 6.800 25.156 0.880 1.00 0.00 O ATOM 277 CB SER A 205 8.931 25.523 3.441 1.00 0.00 C ATOM 278 OG SER A 205 9.799 25.189 2.376 1.00 0.00 O ATOM 0 H SER A 205 8.478 23.167 3.294 1.00 0.00 H new ATOM 0 HA SER A 205 6.856 25.242 4.029 1.00 0.00 H new ATOM 0 HB2 SER A 205 8.903 26.606 3.564 1.00 0.00 H new ATOM 0 HB3 SER A 205 9.317 25.106 4.371 1.00 0.00 H new ATOM 0 HG SER A 205 10.695 25.539 2.563 1.00 0.00 H new ATOM 284 N TYR A 206 6.431 26.937 2.225 1.00 0.00 N ATOM 285 CA TYR A 206 5.595 27.739 1.338 1.00 0.00 C ATOM 286 C TYR A 206 6.066 29.196 1.330 1.00 0.00 C ATOM 287 O TYR A 206 6.777 29.643 2.231 1.00 0.00 O ATOM 288 CB TYR A 206 4.115 27.615 1.762 1.00 0.00 C ATOM 289 CG TYR A 206 3.863 27.392 3.249 1.00 0.00 C ATOM 290 CD1 TYR A 206 3.853 26.076 3.750 1.00 0.00 C ATOM 291 CD2 TYR A 206 3.679 28.474 4.133 1.00 0.00 C ATOM 292 CE1 TYR A 206 3.665 25.833 5.118 1.00 0.00 C ATOM 293 CE2 TYR A 206 3.520 28.240 5.512 1.00 0.00 C ATOM 294 CZ TYR A 206 3.492 26.918 6.002 1.00 0.00 C ATOM 295 OH TYR A 206 3.307 26.695 7.329 1.00 0.00 O ATOM 0 H TYR A 206 6.663 27.429 3.088 1.00 0.00 H new ATOM 0 HA TYR A 206 5.685 27.365 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 206 3.593 28.522 1.457 1.00 0.00 H new ATOM 0 HB3 TYR A 206 3.667 26.789 1.210 1.00 0.00 H new ATOM 0 HD1 TYR A 206 3.992 25.245 3.074 1.00 0.00 H new ATOM 0 HD2 TYR A 206 3.660 29.484 3.752 1.00 0.00 H new ATOM 0 HE1 TYR A 206 3.653 24.820 5.493 1.00 0.00 H new ATOM 0 HE2 TYR A 206 3.420 29.072 6.194 1.00 0.00 H new ATOM 0 HH TYR A 206 2.387 26.397 7.485 1.00 0.00 H new ATOM 305 N GLY A 207 5.669 29.922 0.276 1.00 0.00 N ATOM 306 CA GLY A 207 6.148 31.266 -0.025 1.00 0.00 C ATOM 307 C GLY A 207 5.776 32.306 1.032 1.00 0.00 C ATOM 308 O GLY A 207 6.577 33.199 1.304 1.00 0.00 O ATOM 0 H GLY A 207 4.990 29.578 -0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 207 7.233 31.240 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 207 5.743 31.579 -0.987 1.00 0.00 H new ATOM 312 N GLU A 208 4.588 32.178 1.641 1.00 0.00 N ATOM 313 CA GLU A 208 4.004 33.168 2.515 1.00 0.00 C ATOM 314 C GLU A 208 3.441 32.476 3.761 1.00 0.00 C ATOM 315 O GLU A 208 2.548 31.632 3.684 1.00 0.00 O ATOM 316 CB GLU A 208 3.004 33.970 1.675 1.00 0.00 C ATOM 317 CG GLU A 208 1.713 33.272 1.185 1.00 0.00 C ATOM 318 CD GLU A 208 1.973 32.088 0.247 1.00 0.00 C ATOM 319 OE1 GLU A 208 2.314 32.350 -0.927 1.00 0.00 O ATOM 320 OE2 GLU A 208 1.855 30.936 0.724 1.00 0.00 O ATOM 0 H GLU A 208 4.001 31.352 1.526 1.00 0.00 H new ATOM 0 HA GLU A 208 4.723 33.885 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 208 2.707 34.841 2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 208 3.533 34.340 0.797 1.00 0.00 H new ATOM 0 HG2 GLU A 208 1.149 32.923 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 208 1.088 34.002 0.670 1.00 0.00 H new ATOM 327 N MET A 209 4.004 32.845 4.918 1.00 0.00 N ATOM 328 CA MET A 209 3.834 32.112 6.176 1.00 0.00 C ATOM 329 C MET A 209 3.560 33.024 7.378 1.00 0.00 C ATOM 330 O MET A 209 4.076 34.140 7.453 1.00 0.00 O ATOM 331 CB MET A 209 5.113 31.293 6.502 1.00 0.00 C ATOM 332 CG MET A 209 5.940 30.719 5.336 1.00 0.00 C ATOM 333 SD MET A 209 6.753 29.104 5.586 1.00 0.00 S ATOM 334 CE MET A 209 7.392 29.215 7.278 1.00 0.00 C ATOM 0 H MET A 209 4.597 33.670 5.007 1.00 0.00 H new ATOM 0 HA MET A 209 2.969 31.467 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 209 5.772 31.930 7.093 1.00 0.00 H new ATOM 0 HB3 MET A 209 4.818 30.460 7.140 1.00 0.00 H new ATOM 0 HG2 MET A 209 5.284 30.634 4.470 1.00 0.00 H new ATOM 0 HG3 MET A 209 6.711 31.447 5.082 1.00 0.00 H new ATOM 0 HE1 MET A 209 8.341 28.682 7.344 1.00 0.00 H new ATOM 0 HE2 MET A 209 7.544 30.262 7.542 1.00 0.00 H new ATOM 0 HE3 MET A 209 6.676 28.768 7.967 1.00 0.00 H new ATOM 344 N ILE A 210 2.831 32.478 8.364 1.00 0.00 N ATOM 345 CA ILE A 210 2.630 33.057 9.694 1.00 0.00 C ATOM 346 C ILE A 210 2.610 31.963 10.766 1.00 0.00 C ATOM 347 O ILE A 210 2.141 30.851 10.528 1.00 0.00 O ATOM 348 CB ILE A 210 1.355 33.921 9.718 1.00 0.00 C ATOM 349 CG1 ILE A 210 1.253 34.710 11.042 1.00 0.00 C ATOM 350 CG2 ILE A 210 0.071 33.120 9.413 1.00 0.00 C ATOM 351 CD1 ILE A 210 0.251 35.866 11.001 1.00 0.00 C ATOM 0 H ILE A 210 2.348 31.587 8.248 1.00 0.00 H new ATOM 0 HA ILE A 210 3.470 33.712 9.924 1.00 0.00 H new ATOM 0 HB ILE A 210 1.444 34.640 8.904 1.00 0.00 H new ATOM 0 HG12 ILE A 210 0.969 34.025 11.841 1.00 0.00 H new ATOM 0 HG13 ILE A 210 2.237 35.104 11.295 1.00 0.00 H new ATOM 0 HG21 ILE A 210 -0.790 33.787 9.446 1.00 0.00 H new ATOM 0 HG22 ILE A 210 0.147 32.674 8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 210 -0.052 32.332 10.156 1.00 0.00 H new ATOM 0 HD11 ILE A 210 0.237 36.370 11.967 1.00 0.00 H new ATOM 0 HD12 ILE A 210 0.544 36.574 10.226 1.00 0.00 H new ATOM 0 HD13 ILE A 210 -0.743 35.478 10.780 1.00 0.00 H new ATOM 363 N GLY A 211 3.122 32.309 11.953 1.00 0.00 N ATOM 364 CA GLY A 211 3.380 31.394 13.053 1.00 0.00 C ATOM 365 C GLY A 211 2.649 31.790 14.335 1.00 0.00 C ATOM 366 O GLY A 211 2.504 32.970 14.653 1.00 0.00 O ATOM 0 H GLY A 211 3.375 33.272 12.174 1.00 0.00 H new ATOM 0 HA2 GLY A 211 3.076 30.388 12.762 1.00 0.00 H new ATOM 0 HA3 GLY A 211 4.452 31.359 13.247 1.00 0.00 H new ATOM 370 N CYS A 212 2.181 30.758 15.046 1.00 0.00 N ATOM 371 CA CYS A 212 1.232 30.837 16.158 1.00 0.00 C ATOM 372 C CYS A 212 1.910 31.261 17.463 1.00 0.00 C ATOM 373 O CYS A 212 2.884 30.643 17.888 1.00 0.00 O ATOM 374 CB CYS A 212 0.466 29.501 16.287 1.00 0.00 C ATOM 375 SG CYS A 212 0.192 28.643 14.759 1.00 0.00 S ATOM 0 H CYS A 212 2.469 29.799 14.851 1.00 0.00 H new ATOM 0 HA CYS A 212 0.505 31.620 15.942 1.00 0.00 H new ATOM 0 HB2 CYS A 212 1.019 28.846 16.960 1.00 0.00 H new ATOM 0 HB3 CYS A 212 -0.499 29.697 16.755 1.00 0.00 H new ATOM 0 HG CYS A 212 -0.499 29.397 13.956 1.00 0.00 H new ATOM 380 N ASP A 213 1.354 32.306 18.096 1.00 0.00 N ATOM 381 CA ASP A 213 1.851 32.944 19.316 1.00 0.00 C ATOM 382 C ASP A 213 1.710 32.066 20.579 1.00 0.00 C ATOM 383 O ASP A 213 2.103 32.491 21.665 1.00 0.00 O ATOM 384 CB ASP A 213 1.107 34.284 19.475 1.00 0.00 C ATOM 385 CG ASP A 213 1.648 35.166 20.605 1.00 0.00 C ATOM 386 OD1 ASP A 213 2.806 35.617 20.469 1.00 0.00 O ATOM 387 OD2 ASP A 213 0.884 35.408 21.567 1.00 0.00 O ATOM 0 H ASP A 213 0.503 32.748 17.750 1.00 0.00 H new ATOM 0 HA ASP A 213 2.925 33.102 19.213 1.00 0.00 H new ATOM 0 HB2 ASP A 213 1.168 34.835 18.537 1.00 0.00 H new ATOM 0 HB3 ASP A 213 0.052 34.082 19.659 1.00 0.00 H new ATOM 392 N ASN A 214 1.149 30.852 20.463 1.00 0.00 N ATOM 393 CA ASN A 214 0.890 29.982 21.601 1.00 0.00 C ATOM 394 C ASN A 214 2.201 29.467 22.220 1.00 0.00 C ATOM 395 O ASN A 214 3.131 29.147 21.476 1.00 0.00 O ATOM 396 CB ASN A 214 0.147 28.713 21.165 1.00 0.00 C ATOM 397 CG ASN A 214 -1.173 28.866 20.423 1.00 0.00 C ATOM 398 OD1 ASN A 214 -1.282 29.558 19.413 1.00 0.00 O ATOM 399 ND2 ASN A 214 -2.156 28.069 20.828 1.00 0.00 N ATOM 0 H ASN A 214 0.864 30.452 19.569 1.00 0.00 H new ATOM 0 HA ASN A 214 0.311 30.580 22.305 1.00 0.00 H new ATOM 0 HB2 ASN A 214 0.820 28.136 20.530 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -0.041 28.115 22.057 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -3.026 28.022 20.297 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -2.041 27.505 21.670 1.00 0.00 H new ATOM 406 N PRO A 215 2.250 29.267 23.550 1.00 0.00 N ATOM 407 CA PRO A 215 3.313 28.513 24.203 1.00 0.00 C ATOM 408 C PRO A 215 3.049 26.987 24.123 1.00 0.00 C ATOM 409 O PRO A 215 3.789 26.221 24.738 1.00 0.00 O ATOM 410 CB PRO A 215 3.312 29.031 25.645 1.00 0.00 C ATOM 411 CG PRO A 215 1.839 29.338 25.907 1.00 0.00 C ATOM 412 CD PRO A 215 1.308 29.773 24.540 1.00 0.00 C ATOM 0 HA PRO A 215 4.284 28.652 23.727 1.00 0.00 H new ATOM 0 HB2 PRO A 215 3.697 28.285 26.341 1.00 0.00 H new ATOM 0 HB3 PRO A 215 3.934 29.920 25.754 1.00 0.00 H new ATOM 0 HG2 PRO A 215 1.309 28.463 26.282 1.00 0.00 H new ATOM 0 HG3 PRO A 215 1.721 30.126 26.651 1.00 0.00 H new ATOM 0 HD2 PRO A 215 0.310 29.372 24.366 1.00 0.00 H new ATOM 0 HD3 PRO A 215 1.230 30.859 24.482 1.00 0.00 H new ATOM 420 N ASP A 216 2.010 26.548 23.380 1.00 0.00 N ATOM 421 CA ASP A 216 1.491 25.175 23.377 1.00 0.00 C ATOM 422 C ASP A 216 1.201 24.600 21.979 1.00 0.00 C ATOM 423 O ASP A 216 0.968 23.395 21.868 1.00 0.00 O ATOM 424 CB ASP A 216 0.178 25.118 24.183 1.00 0.00 C ATOM 425 CG ASP A 216 0.247 25.770 25.564 1.00 0.00 C ATOM 426 OD1 ASP A 216 1.051 25.290 26.392 1.00 0.00 O ATOM 427 OD2 ASP A 216 -0.522 26.736 25.766 1.00 0.00 O ATOM 0 H ASP A 216 1.498 27.163 22.748 1.00 0.00 H new ATOM 0 HA ASP A 216 2.282 24.570 23.819 1.00 0.00 H new ATOM 0 HB2 ASP A 216 -0.608 25.604 23.606 1.00 0.00 H new ATOM 0 HB3 ASP A 216 -0.114 24.075 24.303 1.00 0.00 H new ATOM 432 N CYS A 217 1.174 25.430 20.923 1.00 0.00 N ATOM 433 CA CYS A 217 0.830 25.007 19.571 1.00 0.00 C ATOM 434 C CYS A 217 1.870 24.024 19.035 1.00 0.00 C ATOM 435 O CYS A 217 3.076 24.240 19.144 1.00 0.00 O ATOM 436 CB CYS A 217 0.634 26.215 18.648 1.00 0.00 C ATOM 437 SG CYS A 217 -0.028 25.714 17.037 1.00 0.00 S ATOM 0 H CYS A 217 1.394 26.423 20.994 1.00 0.00 H new ATOM 0 HA CYS A 217 -0.124 24.481 19.602 1.00 0.00 H new ATOM 0 HB2 CYS A 217 -0.045 26.927 19.117 1.00 0.00 H new ATOM 0 HB3 CYS A 217 1.586 26.727 18.509 1.00 0.00 H new ATOM 0 HG CYS A 217 0.031 26.717 16.212 1.00 0.00 H new ATOM 443 N SER A 218 1.345 22.952 18.439 1.00 0.00 N ATOM 444 CA SER A 218 2.093 21.790 17.961 1.00 0.00 C ATOM 445 C SER A 218 2.145 21.745 16.423 1.00 0.00 C ATOM 446 O SER A 218 2.621 20.768 15.845 1.00 0.00 O ATOM 447 CB SER A 218 1.464 20.531 18.573 1.00 0.00 C ATOM 448 OG SER A 218 2.328 19.420 18.450 1.00 0.00 O ATOM 0 H SER A 218 0.343 22.867 18.269 1.00 0.00 H new ATOM 0 HA SER A 218 3.133 21.854 18.281 1.00 0.00 H new ATOM 0 HB2 SER A 218 1.240 20.707 19.625 1.00 0.00 H new ATOM 0 HB3 SER A 218 0.517 20.316 18.078 1.00 0.00 H new ATOM 0 HG SER A 218 2.737 19.421 17.560 1.00 0.00 H new ATOM 454 N ILE A 219 1.681 22.822 15.768 1.00 0.00 N ATOM 455 CA ILE A 219 1.758 23.042 14.326 1.00 0.00 C ATOM 456 C ILE A 219 2.630 24.283 14.063 1.00 0.00 C ATOM 457 O ILE A 219 3.502 24.219 13.201 1.00 0.00 O ATOM 458 CB ILE A 219 0.336 23.156 13.719 1.00 0.00 C ATOM 459 CG1 ILE A 219 -0.595 21.963 14.048 1.00 0.00 C ATOM 460 CG2 ILE A 219 0.381 23.369 12.194 1.00 0.00 C ATOM 461 CD1 ILE A 219 -0.163 20.597 13.495 1.00 0.00 C ATOM 0 H ILE A 219 1.224 23.592 16.256 1.00 0.00 H new ATOM 0 HA ILE A 219 2.228 22.192 13.831 1.00 0.00 H new ATOM 0 HB ILE A 219 -0.094 24.035 14.200 1.00 0.00 H new ATOM 0 HG12 ILE A 219 -0.680 21.883 15.132 1.00 0.00 H new ATOM 0 HG13 ILE A 219 -1.590 22.189 13.666 1.00 0.00 H new ATOM 0 HG21 ILE A 219 -0.635 23.444 11.807 1.00 0.00 H new ATOM 0 HG22 ILE A 219 0.923 24.288 11.971 1.00 0.00 H new ATOM 0 HG23 ILE A 219 0.887 22.526 11.724 1.00 0.00 H new ATOM 0 HD11 ILE A 219 -0.890 19.839 13.788 1.00 0.00 H new ATOM 0 HD12 ILE A 219 -0.108 20.646 12.407 1.00 0.00 H new ATOM 0 HD13 ILE A 219 0.816 20.335 13.896 1.00 0.00 H new ATOM 473 N GLU A 220 2.435 25.344 14.874 1.00 0.00 N ATOM 474 CA GLU A 220 3.169 26.612 15.026 1.00 0.00 C ATOM 475 C GLU A 220 3.552 27.423 13.769 1.00 0.00 C ATOM 476 O GLU A 220 3.989 28.557 13.933 1.00 0.00 O ATOM 477 CB GLU A 220 4.373 26.418 15.969 1.00 0.00 C ATOM 478 CG GLU A 220 5.509 25.578 15.364 1.00 0.00 C ATOM 479 CD GLU A 220 6.782 25.678 16.203 1.00 0.00 C ATOM 480 OE1 GLU A 220 6.838 24.987 17.244 1.00 0.00 O ATOM 481 OE2 GLU A 220 7.678 26.447 15.790 1.00 0.00 O ATOM 0 H GLU A 220 1.650 25.324 15.525 1.00 0.00 H new ATOM 0 HA GLU A 220 2.415 27.268 15.460 1.00 0.00 H new ATOM 0 HB2 GLU A 220 4.766 27.396 16.247 1.00 0.00 H new ATOM 0 HB3 GLU A 220 4.030 25.940 16.887 1.00 0.00 H new ATOM 0 HG2 GLU A 220 5.197 24.536 15.296 1.00 0.00 H new ATOM 0 HG3 GLU A 220 5.713 25.917 14.348 1.00 0.00 H new ATOM 488 N TRP A 221 3.359 26.910 12.547 1.00 0.00 N ATOM 489 CA TRP A 221 3.471 27.611 11.281 1.00 0.00 C ATOM 490 C TRP A 221 2.373 27.149 10.337 1.00 0.00 C ATOM 491 O TRP A 221 2.036 25.970 10.283 1.00 0.00 O ATOM 492 CB TRP A 221 4.786 27.262 10.621 1.00 0.00 C ATOM 493 CG TRP A 221 5.953 28.061 11.043 1.00 0.00 C ATOM 494 CD1 TRP A 221 6.993 27.608 11.766 1.00 0.00 C ATOM 495 CD2 TRP A 221 6.243 29.447 10.717 1.00 0.00 C ATOM 496 NE1 TRP A 221 7.945 28.595 11.848 1.00 0.00 N ATOM 497 CE2 TRP A 221 7.563 29.732 11.158 1.00 0.00 C ATOM 498 CE3 TRP A 221 5.544 30.472 10.044 1.00 0.00 C ATOM 499 CZ2 TRP A 221 8.187 30.948 10.853 1.00 0.00 C ATOM 500 CZ3 TRP A 221 6.137 31.726 9.815 1.00 0.00 C ATOM 501 CH2 TRP A 221 7.468 31.957 10.193 1.00 0.00 C ATOM 0 H TRP A 221 3.104 25.931 12.419 1.00 0.00 H new ATOM 0 HA TRP A 221 3.397 28.681 11.476 1.00 0.00 H new ATOM 0 HB2 TRP A 221 5.000 26.211 10.816 1.00 0.00 H new ATOM 0 HB3 TRP A 221 4.668 27.369 9.543 1.00 0.00 H new ATOM 0 HD1 TRP A 221 7.068 26.626 12.210 1.00 0.00 H new ATOM 0 HE1 TRP A 221 8.825 28.501 12.355 1.00 0.00 H new ATOM 0 HE3 TRP A 221 4.537 30.290 9.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 221 9.220 31.109 11.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 221 5.566 32.514 9.347 1.00 0.00 H new ATOM 0 HH2 TRP A 221 7.937 32.906 9.977 1.00 0.00 H new ATOM 512 N PHE A 222 1.817 28.117 9.610 1.00 0.00 N ATOM 513 CA PHE A 222 0.615 27.979 8.792 1.00 0.00 C ATOM 514 C PHE A 222 0.747 28.895 7.581 1.00 0.00 C ATOM 515 O PHE A 222 1.398 29.939 7.657 1.00 0.00 O ATOM 516 CB PHE A 222 -0.641 28.421 9.581 1.00 0.00 C ATOM 517 CG PHE A 222 -1.082 27.542 10.741 1.00 0.00 C ATOM 518 CD1 PHE A 222 -0.222 27.348 11.831 1.00 0.00 C ATOM 519 CD2 PHE A 222 -2.372 26.972 10.789 1.00 0.00 C ATOM 520 CE1 PHE A 222 -0.565 26.487 12.871 1.00 0.00 C ATOM 521 CE2 PHE A 222 -2.780 26.252 11.931 1.00 0.00 C ATOM 522 CZ PHE A 222 -1.869 26.024 12.978 1.00 0.00 C ATOM 0 H PHE A 222 2.209 29.058 9.574 1.00 0.00 H new ATOM 0 HA PHE A 222 0.511 26.934 8.499 1.00 0.00 H new ATOM 0 HB2 PHE A 222 -0.461 29.424 9.968 1.00 0.00 H new ATOM 0 HB3 PHE A 222 -1.472 28.495 8.879 1.00 0.00 H new ATOM 0 HD1 PHE A 222 0.721 27.874 11.865 1.00 0.00 H new ATOM 0 HD2 PHE A 222 -3.046 27.087 9.953 1.00 0.00 H new ATOM 0 HE1 PHE A 222 0.180 26.181 13.591 1.00 0.00 H new ATOM 0 HE2 PHE A 222 -3.790 25.876 12.001 1.00 0.00 H new ATOM 0 HZ PHE A 222 -2.183 25.490 13.863 1.00 0.00 H new ATOM 532 N HIS A 223 0.079 28.536 6.475 1.00 0.00 N ATOM 533 CA HIS A 223 -0.081 29.488 5.380 1.00 0.00 C ATOM 534 C HIS A 223 -0.985 30.626 5.861 1.00 0.00 C ATOM 535 O HIS A 223 -1.876 30.423 6.688 1.00 0.00 O ATOM 536 CB HIS A 223 -0.706 28.861 4.122 1.00 0.00 C ATOM 537 CG HIS A 223 -0.093 27.582 3.611 1.00 0.00 C ATOM 538 ND1 HIS A 223 -0.391 26.291 4.072 1.00 0.00 N ATOM 539 CD2 HIS A 223 0.679 27.491 2.490 1.00 0.00 C ATOM 540 CE1 HIS A 223 0.226 25.465 3.208 1.00 0.00 C ATOM 541 NE2 HIS A 223 0.878 26.154 2.258 1.00 0.00 N ATOM 0 H HIS A 223 -0.345 27.621 6.322 1.00 0.00 H new ATOM 0 HA HIS A 223 0.912 29.842 5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 223 -1.760 28.672 4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 223 -0.665 29.599 3.321 1.00 0.00 H new ATOM 0 HD2 HIS A 223 1.059 28.312 1.900 1.00 0.00 H new ATOM 0 HE1 HIS A 223 0.200 24.387 3.270 1.00 0.00 H new ATOM 0 HE2 HIS A 223 1.426 25.753 1.497 1.00 0.00 H new ATOM 549 N PHE A 224 -0.780 31.815 5.294 1.00 0.00 N ATOM 550 CA PHE A 224 -1.719 32.927 5.429 1.00 0.00 C ATOM 551 C PHE A 224 -3.114 32.484 5.000 1.00 0.00 C ATOM 552 O PHE A 224 -4.059 32.651 5.758 1.00 0.00 O ATOM 553 CB PHE A 224 -1.231 34.116 4.595 1.00 0.00 C ATOM 554 CG PHE A 224 -0.078 34.869 5.223 1.00 0.00 C ATOM 555 CD1 PHE A 224 -0.225 35.553 6.443 1.00 0.00 C ATOM 556 CD2 PHE A 224 1.160 34.884 4.572 1.00 0.00 C ATOM 557 CE1 PHE A 224 0.868 36.237 6.999 1.00 0.00 C ATOM 558 CE2 PHE A 224 2.256 35.562 5.122 1.00 0.00 C ATOM 559 CZ PHE A 224 2.112 36.220 6.349 1.00 0.00 C ATOM 0 H PHE A 224 0.041 32.034 4.729 1.00 0.00 H new ATOM 0 HA PHE A 224 -1.772 33.240 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 224 -0.926 33.758 3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 224 -2.062 34.805 4.440 1.00 0.00 H new ATOM 0 HD1 PHE A 224 -1.178 35.552 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 224 1.273 34.365 3.631 1.00 0.00 H new ATOM 0 HE1 PHE A 224 0.751 36.776 7.927 1.00 0.00 H new ATOM 0 HE2 PHE A 224 3.203 35.577 4.604 1.00 0.00 H new ATOM 0 HZ PHE A 224 2.960 36.716 6.797 1.00 0.00 H new ATOM 569 N ALA A 225 -3.231 31.825 3.848 1.00 0.00 N ATOM 570 CA ALA A 225 -4.495 31.317 3.338 1.00 0.00 C ATOM 571 C ALA A 225 -5.063 30.139 4.151 1.00 0.00 C ATOM 572 O ALA A 225 -6.247 29.836 4.011 1.00 0.00 O ATOM 573 CB ALA A 225 -4.318 30.929 1.867 1.00 0.00 C ATOM 0 H ALA A 225 -2.438 31.629 3.238 1.00 0.00 H new ATOM 0 HA ALA A 225 -5.230 32.116 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 225 -5.261 30.547 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 225 -4.016 31.805 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 225 -3.552 30.158 1.784 1.00 0.00 H new ATOM 579 N CYS A 226 -4.258 29.499 5.019 1.00 0.00 N ATOM 580 CA CYS A 226 -4.719 28.464 5.949 1.00 0.00 C ATOM 581 C CYS A 226 -5.629 29.031 7.055 1.00 0.00 C ATOM 582 O CYS A 226 -6.391 28.272 7.651 1.00 0.00 O ATOM 583 CB CYS A 226 -3.505 27.748 6.541 1.00 0.00 C ATOM 584 SG CYS A 226 -3.927 26.111 7.179 1.00 0.00 S ATOM 0 H CYS A 226 -3.259 29.692 5.091 1.00 0.00 H new ATOM 0 HA CYS A 226 -5.329 27.751 5.395 1.00 0.00 H new ATOM 0 HB2 CYS A 226 -2.733 27.651 5.777 1.00 0.00 H new ATOM 0 HB3 CYS A 226 -3.084 28.352 7.344 1.00 0.00 H new ATOM 0 HG CYS A 226 -3.644 25.211 6.285 1.00 0.00 H new ATOM 590 N VAL A 227 -5.586 30.355 7.282 1.00 0.00 N ATOM 591 CA VAL A 227 -6.462 31.108 8.182 1.00 0.00 C ATOM 592 C VAL A 227 -7.308 32.147 7.431 1.00 0.00 C ATOM 593 O VAL A 227 -8.268 32.687 7.979 1.00 0.00 O ATOM 594 CB VAL A 227 -5.615 31.726 9.315 1.00 0.00 C ATOM 595 CG1 VAL A 227 -4.723 32.896 8.873 1.00 0.00 C ATOM 596 CG2 VAL A 227 -6.463 32.160 10.522 1.00 0.00 C ATOM 0 H VAL A 227 -4.904 30.954 6.817 1.00 0.00 H new ATOM 0 HA VAL A 227 -7.185 30.426 8.630 1.00 0.00 H new ATOM 0 HB VAL A 227 -4.957 30.911 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 227 -4.163 33.270 9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 227 -4.028 32.554 8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 227 -5.345 33.695 8.469 1.00 0.00 H new ATOM 0 HG21 VAL A 227 -5.815 32.587 11.287 1.00 0.00 H new ATOM 0 HG22 VAL A 227 -7.191 32.907 10.205 1.00 0.00 H new ATOM 0 HG23 VAL A 227 -6.985 31.294 10.930 1.00 0.00 H new ATOM 606 N GLY A 228 -6.951 32.397 6.168 1.00 0.00 N ATOM 607 CA GLY A 228 -7.615 33.324 5.262 1.00 0.00 C ATOM 608 C GLY A 228 -6.997 34.726 5.261 1.00 0.00 C ATOM 609 O GLY A 228 -7.672 35.667 4.844 1.00 0.00 O ATOM 0 H GLY A 228 -6.153 31.934 5.734 1.00 0.00 H new ATOM 0 HA2 GLY A 228 -7.580 32.919 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 228 -8.667 33.399 5.538 1.00 0.00 H new ATOM 613 N LEU A 229 -5.751 34.890 5.741 1.00 0.00 N ATOM 614 CA LEU A 229 -5.069 36.176 5.762 1.00 0.00 C ATOM 615 C LEU A 229 -4.649 36.610 4.353 1.00 0.00 C ATOM 616 O LEU A 229 -4.465 35.792 3.452 1.00 0.00 O ATOM 617 CB LEU A 229 -3.853 36.137 6.710 1.00 0.00 C ATOM 618 CG LEU A 229 -4.164 36.565 8.159 1.00 0.00 C ATOM 619 CD1 LEU A 229 -2.954 36.285 9.059 1.00 0.00 C ATOM 620 CD2 LEU A 229 -4.503 38.062 8.268 1.00 0.00 C ATOM 0 H LEU A 229 -5.196 34.125 6.124 1.00 0.00 H new ATOM 0 HA LEU A 229 -5.773 36.917 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -3.448 35.125 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -3.075 36.787 6.311 1.00 0.00 H new ATOM 0 HG LEU A 229 -5.032 35.987 8.476 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -3.182 36.590 10.080 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -2.726 35.219 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -2.093 36.846 8.696 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -4.714 38.313 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -3.657 38.653 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -5.378 38.282 7.657 1.00 0.00 H new ATOM 632 N THR A 230 -4.462 37.928 4.213 1.00 0.00 N ATOM 633 CA THR A 230 -4.056 38.624 2.987 1.00 0.00 C ATOM 634 C THR A 230 -2.901 39.607 3.289 1.00 0.00 C ATOM 635 O THR A 230 -2.400 40.276 2.387 1.00 0.00 O ATOM 636 CB THR A 230 -5.303 39.310 2.376 1.00 0.00 C ATOM 637 OG1 THR A 230 -6.338 38.363 2.193 1.00 0.00 O ATOM 638 CG2 THR A 230 -5.071 39.971 1.011 1.00 0.00 C ATOM 0 H THR A 230 -4.597 38.571 4.993 1.00 0.00 H new ATOM 0 HA THR A 230 -3.667 37.923 2.248 1.00 0.00 H new ATOM 0 HB THR A 230 -5.561 40.091 3.092 1.00 0.00 H new ATOM 0 HG1 THR A 230 -7.123 38.806 1.808 1.00 0.00 H new ATOM 0 HG21 THR A 230 -5.999 40.424 0.664 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.304 40.740 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 230 -4.744 39.219 0.293 1.00 0.00 H new ATOM 646 N THR A 231 -2.451 39.672 4.553 1.00 0.00 N ATOM 647 CA THR A 231 -1.373 40.530 5.040 1.00 0.00 C ATOM 648 C THR A 231 -0.636 39.837 6.199 1.00 0.00 C ATOM 649 O THR A 231 -1.080 38.798 6.693 1.00 0.00 O ATOM 650 CB THR A 231 -1.960 41.902 5.438 1.00 0.00 C ATOM 651 OG1 THR A 231 -0.922 42.841 5.631 1.00 0.00 O ATOM 652 CG2 THR A 231 -2.834 41.863 6.700 1.00 0.00 C ATOM 0 H THR A 231 -2.853 39.097 5.294 1.00 0.00 H new ATOM 0 HA THR A 231 -0.635 40.703 4.257 1.00 0.00 H new ATOM 0 HB THR A 231 -2.605 42.196 4.610 1.00 0.00 H new ATOM 0 HG1 THR A 231 -1.307 43.707 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 231 -3.209 42.864 6.914 1.00 0.00 H new ATOM 0 HG22 THR A 231 -3.674 41.187 6.540 1.00 0.00 H new ATOM 0 HG23 THR A 231 -2.240 41.510 7.543 1.00 0.00 H new ATOM 660 N LYS A 232 0.475 40.439 6.647 1.00 0.00 N ATOM 661 CA LYS A 232 1.312 39.953 7.738 1.00 0.00 C ATOM 662 C LYS A 232 1.158 40.895 8.945 1.00 0.00 C ATOM 663 O LYS A 232 1.865 41.903 9.014 1.00 0.00 O ATOM 664 CB LYS A 232 2.769 39.819 7.254 1.00 0.00 C ATOM 665 CG LYS A 232 3.679 39.207 8.337 1.00 0.00 C ATOM 666 CD LYS A 232 5.148 39.102 7.900 1.00 0.00 C ATOM 667 CE LYS A 232 5.352 38.099 6.759 1.00 0.00 C ATOM 668 NZ LYS A 232 6.768 38.016 6.359 1.00 0.00 N ATOM 0 H LYS A 232 0.822 41.308 6.241 1.00 0.00 H new ATOM 0 HA LYS A 232 0.998 38.960 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 232 2.799 39.196 6.360 1.00 0.00 H new ATOM 0 HB3 LYS A 232 3.150 40.801 6.972 1.00 0.00 H new ATOM 0 HG2 LYS A 232 3.617 39.814 9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 232 3.311 38.214 8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 232 5.500 40.084 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 232 5.757 38.805 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 232 5.003 37.115 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 232 4.747 38.394 5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 6.870 37.329 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 7.093 38.950 6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 7.341 37.711 7.171 1.00 0.00 H new ATOM 682 N PRO A 233 0.254 40.596 9.903 1.00 0.00 N ATOM 683 CA PRO A 233 0.187 41.311 11.176 1.00 0.00 C ATOM 684 C PRO A 233 1.427 41.020 12.035 1.00 0.00 C ATOM 685 O PRO A 233 2.137 40.037 11.811 1.00 0.00 O ATOM 686 CB PRO A 233 -1.106 40.830 11.844 1.00 0.00 C ATOM 687 CG PRO A 233 -1.280 39.414 11.301 1.00 0.00 C ATOM 688 CD PRO A 233 -0.733 39.522 9.879 1.00 0.00 C ATOM 0 HA PRO A 233 0.177 42.393 11.041 1.00 0.00 H new ATOM 0 HB2 PRO A 233 -1.023 40.836 12.931 1.00 0.00 H new ATOM 0 HB3 PRO A 233 -1.952 41.466 11.585 1.00 0.00 H new ATOM 0 HG2 PRO A 233 -0.727 38.684 11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 233 -2.325 39.104 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 233 -0.278 38.583 9.564 1.00 0.00 H new ATOM 0 HD3 PRO A 233 -1.531 39.743 9.171 1.00 0.00 H new ATOM 696 N ARG A 234 1.670 41.877 13.037 1.00 0.00 N ATOM 697 CA ARG A 234 2.809 41.784 13.939 1.00 0.00 C ATOM 698 C ARG A 234 2.390 42.253 15.327 1.00 0.00 C ATOM 699 O ARG A 234 1.740 43.283 15.504 1.00 0.00 O ATOM 700 CB ARG A 234 3.986 42.599 13.376 1.00 0.00 C ATOM 701 CG ARG A 234 5.297 42.480 14.175 1.00 0.00 C ATOM 702 CD ARG A 234 5.425 43.522 15.296 1.00 0.00 C ATOM 703 NE ARG A 234 6.670 43.334 16.055 1.00 0.00 N ATOM 704 CZ ARG A 234 6.979 43.948 17.207 1.00 0.00 C ATOM 705 NH1 ARG A 234 6.151 44.826 17.779 1.00 0.00 N ATOM 706 NH2 ARG A 234 8.142 43.678 17.802 1.00 0.00 N ATOM 0 H ARG A 234 1.061 42.670 13.241 1.00 0.00 H new ATOM 0 HA ARG A 234 3.144 40.750 14.025 1.00 0.00 H new ATOM 0 HB2 ARG A 234 4.172 42.280 12.350 1.00 0.00 H new ATOM 0 HB3 ARG A 234 3.696 43.649 13.336 1.00 0.00 H new ATOM 0 HG2 ARG A 234 5.361 41.482 14.608 1.00 0.00 H new ATOM 0 HG3 ARG A 234 6.140 42.586 13.493 1.00 0.00 H new ATOM 0 HD2 ARG A 234 5.404 44.525 14.869 1.00 0.00 H new ATOM 0 HD3 ARG A 234 4.571 43.444 15.968 1.00 0.00 H new ATOM 0 HE ARG A 234 7.356 42.682 15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 234 5.257 45.045 17.339 1.00 0.00 H new ATOM 0 HH12 ARG A 234 6.413 45.278 18.655 1.00 0.00 H new ATOM 0 HH21 ARG A 234 8.787 43.010 17.381 1.00 0.00 H new ATOM 0 HH22 ARG A 234 8.386 44.140 18.678 1.00 0.00 H new ATOM 720 N GLY A 235 2.811 41.447 16.298 1.00 0.00 N ATOM 721 CA GLY A 235 2.590 41.604 17.727 1.00 0.00 C ATOM 722 C GLY A 235 2.254 40.239 18.318 1.00 0.00 C ATOM 723 O GLY A 235 3.037 39.695 19.094 1.00 0.00 O ATOM 0 H GLY A 235 3.353 40.609 16.089 1.00 0.00 H new ATOM 0 HA2 GLY A 235 3.479 42.015 18.205 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.777 42.306 17.910 1.00 0.00 H new ATOM 727 N LYS A 236 1.114 39.679 17.881 1.00 0.00 N ATOM 728 CA LYS A 236 0.683 38.304 18.126 1.00 0.00 C ATOM 729 C LYS A 236 -0.508 37.948 17.231 1.00 0.00 C ATOM 730 O LYS A 236 -1.330 38.798 16.891 1.00 0.00 O ATOM 731 CB LYS A 236 0.339 38.070 19.608 1.00 0.00 C ATOM 732 CG LYS A 236 -0.589 39.108 20.265 1.00 0.00 C ATOM 733 CD LYS A 236 -0.932 38.731 21.715 1.00 0.00 C ATOM 734 CE LYS A 236 0.313 38.617 22.604 1.00 0.00 C ATOM 735 NZ LYS A 236 -0.031 38.174 23.966 1.00 0.00 N ATOM 0 H LYS A 236 0.440 40.202 17.322 1.00 0.00 H new ATOM 0 HA LYS A 236 1.517 37.647 17.877 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -0.126 37.088 19.700 1.00 0.00 H new ATOM 0 HB3 LYS A 236 1.270 38.036 20.174 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -0.109 40.087 20.248 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -1.508 39.193 19.685 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -1.605 39.480 22.132 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.468 37.782 21.723 1.00 0.00 H new ATOM 0 HE2 LYS A 236 1.015 37.913 22.158 1.00 0.00 H new ATOM 0 HE3 LYS A 236 0.816 39.583 22.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.835 38.108 24.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -0.682 38.859 24.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -0.489 37.241 23.922 1.00 0.00 H new ATOM 749 N TRP A 237 -0.593 36.659 16.886 1.00 0.00 N ATOM 750 CA TRP A 237 -1.623 36.047 16.074 1.00 0.00 C ATOM 751 C TRP A 237 -1.866 34.620 16.565 1.00 0.00 C ATOM 752 O TRP A 237 -0.945 33.934 17.012 1.00 0.00 O ATOM 753 CB TRP A 237 -1.124 36.045 14.628 1.00 0.00 C ATOM 754 CG TRP A 237 -1.887 35.204 13.659 1.00 0.00 C ATOM 755 CD1 TRP A 237 -2.944 35.572 12.913 1.00 0.00 C ATOM 756 CD2 TRP A 237 -1.646 33.812 13.326 1.00 0.00 C ATOM 757 NE1 TRP A 237 -3.384 34.498 12.159 1.00 0.00 N ATOM 758 CE2 TRP A 237 -2.609 33.373 12.374 1.00 0.00 C ATOM 759 CE3 TRP A 237 -0.687 32.885 13.759 1.00 0.00 C ATOM 760 CZ2 TRP A 237 -2.622 32.049 11.892 1.00 0.00 C ATOM 761 CZ3 TRP A 237 -0.696 31.569 13.279 1.00 0.00 C ATOM 762 CH2 TRP A 237 -1.664 31.139 12.376 1.00 0.00 C ATOM 0 H TRP A 237 0.105 35.981 17.191 1.00 0.00 H new ATOM 0 HA TRP A 237 -2.563 36.595 16.141 1.00 0.00 H new ATOM 0 HB2 TRP A 237 -1.129 37.073 14.265 1.00 0.00 H new ATOM 0 HB3 TRP A 237 -0.087 35.711 14.626 1.00 0.00 H new ATOM 0 HD1 TRP A 237 -3.384 36.558 12.904 1.00 0.00 H new ATOM 0 HE1 TRP A 237 -4.181 34.532 11.523 1.00 0.00 H new ATOM 0 HE3 TRP A 237 0.067 33.189 14.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 237 -3.355 31.738 11.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 237 0.061 30.876 13.615 1.00 0.00 H new ATOM 0 HH2 TRP A 237 -1.680 30.110 12.048 1.00 0.00 H new ATOM 773 N PHE A 238 -3.113 34.166 16.421 1.00 0.00 N ATOM 774 CA PHE A 238 -3.553 32.838 16.816 1.00 0.00 C ATOM 775 C PHE A 238 -4.294 32.176 15.658 1.00 0.00 C ATOM 776 O PHE A 238 -5.177 32.759 15.029 1.00 0.00 O ATOM 777 CB PHE A 238 -4.408 32.921 18.086 1.00 0.00 C ATOM 778 CG PHE A 238 -3.595 33.163 19.346 1.00 0.00 C ATOM 779 CD1 PHE A 238 -3.214 34.469 19.710 1.00 0.00 C ATOM 780 CD2 PHE A 238 -3.188 32.074 20.141 1.00 0.00 C ATOM 781 CE1 PHE A 238 -2.419 34.679 20.850 1.00 0.00 C ATOM 782 CE2 PHE A 238 -2.390 32.285 21.280 1.00 0.00 C ATOM 783 CZ PHE A 238 -2.002 33.589 21.632 1.00 0.00 C ATOM 0 H PHE A 238 -3.859 34.731 16.015 1.00 0.00 H new ATOM 0 HA PHE A 238 -2.690 32.216 17.052 1.00 0.00 H new ATOM 0 HB2 PHE A 238 -5.136 33.724 17.973 1.00 0.00 H new ATOM 0 HB3 PHE A 238 -4.970 31.994 18.198 1.00 0.00 H new ATOM 0 HD1 PHE A 238 -3.533 35.310 19.113 1.00 0.00 H new ATOM 0 HD2 PHE A 238 -3.490 31.072 19.875 1.00 0.00 H new ATOM 0 HE1 PHE A 238 -2.128 35.682 21.126 1.00 0.00 H new ATOM 0 HE2 PHE A 238 -2.076 31.446 21.883 1.00 0.00 H new ATOM 0 HZ PHE A 238 -1.384 33.753 22.502 1.00 0.00 H new ATOM 793 N CYS A 239 -3.874 30.936 15.393 1.00 0.00 N ATOM 794 CA CYS A 239 -4.280 30.101 14.272 1.00 0.00 C ATOM 795 C CYS A 239 -5.768 29.696 14.307 1.00 0.00 C ATOM 796 O CYS A 239 -6.441 29.948 15.310 1.00 0.00 O ATOM 797 CB CYS A 239 -3.290 28.931 14.254 1.00 0.00 C ATOM 798 SG CYS A 239 -3.740 27.622 15.419 1.00 0.00 S ATOM 0 H CYS A 239 -3.200 30.464 15.996 1.00 0.00 H new ATOM 0 HA CYS A 239 -4.232 30.647 13.330 1.00 0.00 H new ATOM 0 HB2 CYS A 239 -3.242 28.516 13.247 1.00 0.00 H new ATOM 0 HB3 CYS A 239 -2.293 29.300 14.495 1.00 0.00 H new ATOM 0 HG CYS A 239 -3.337 26.475 14.959 1.00 0.00 H new ATOM 804 N PRO A 240 -6.317 29.085 13.234 1.00 0.00 N ATOM 805 CA PRO A 240 -7.753 28.855 13.125 1.00 0.00 C ATOM 806 C PRO A 240 -8.285 27.795 14.098 1.00 0.00 C ATOM 807 O PRO A 240 -9.478 27.797 14.387 1.00 0.00 O ATOM 808 CB PRO A 240 -8.017 28.468 11.667 1.00 0.00 C ATOM 809 CG PRO A 240 -6.692 27.854 11.230 1.00 0.00 C ATOM 810 CD PRO A 240 -5.658 28.664 12.007 1.00 0.00 C ATOM 0 HA PRO A 240 -8.290 29.761 13.405 1.00 0.00 H new ATOM 0 HB2 PRO A 240 -8.839 27.757 11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 240 -8.280 29.335 11.061 1.00 0.00 H new ATOM 0 HG2 PRO A 240 -6.640 26.793 11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 240 -6.544 27.940 10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 240 -4.775 28.063 12.225 1.00 0.00 H new ATOM 0 HD3 PRO A 240 -5.323 29.525 11.429 1.00 0.00 H new ATOM 818 N ARG A 241 -7.408 26.931 14.627 1.00 0.00 N ATOM 819 CA ARG A 241 -7.713 25.927 15.638 1.00 0.00 C ATOM 820 C ARG A 241 -7.597 26.477 17.073 1.00 0.00 C ATOM 821 O ARG A 241 -7.760 25.714 18.024 1.00 0.00 O ATOM 822 CB ARG A 241 -6.784 24.713 15.435 1.00 0.00 C ATOM 823 CG ARG A 241 -6.831 24.057 14.040 1.00 0.00 C ATOM 824 CD ARG A 241 -8.148 23.337 13.704 1.00 0.00 C ATOM 825 NE ARG A 241 -9.260 24.252 13.398 1.00 0.00 N ATOM 826 CZ ARG A 241 -9.535 24.817 12.214 1.00 0.00 C ATOM 827 NH1 ARG A 241 -8.753 24.639 11.146 1.00 0.00 N ATOM 828 NH2 ARG A 241 -10.624 25.576 12.103 1.00 0.00 N ATOM 0 H ARG A 241 -6.428 26.918 14.346 1.00 0.00 H new ATOM 0 HA ARG A 241 -8.753 25.624 15.514 1.00 0.00 H new ATOM 0 HB2 ARG A 241 -5.759 25.027 15.634 1.00 0.00 H new ATOM 0 HB3 ARG A 241 -7.036 23.958 16.179 1.00 0.00 H new ATOM 0 HG2 ARG A 241 -6.652 24.825 13.288 1.00 0.00 H new ATOM 0 HG3 ARG A 241 -6.013 23.340 13.964 1.00 0.00 H new ATOM 0 HD2 ARG A 241 -7.985 22.679 12.850 1.00 0.00 H new ATOM 0 HD3 ARG A 241 -8.431 22.704 14.545 1.00 0.00 H new ATOM 0 HE ARG A 241 -9.888 24.480 14.169 1.00 0.00 H new ATOM 0 HH11 ARG A 241 -7.917 24.058 11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 241 -8.991 25.084 10.260 1.00 0.00 H new ATOM 0 HH21 ARG A 241 -11.231 25.718 12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 241 -10.851 26.015 11.211 1.00 0.00 H new ATOM 842 N CYS A 242 -7.313 27.780 17.235 1.00 0.00 N ATOM 843 CA CYS A 242 -6.963 28.419 18.490 1.00 0.00 C ATOM 844 C CYS A 242 -7.722 29.726 18.756 1.00 0.00 C ATOM 845 O CYS A 242 -7.743 30.170 19.903 1.00 0.00 O ATOM 846 CB CYS A 242 -5.466 28.724 18.436 1.00 0.00 C ATOM 847 SG CYS A 242 -4.498 27.225 18.756 1.00 0.00 S ATOM 0 H CYS A 242 -7.325 28.435 16.453 1.00 0.00 H new ATOM 0 HA CYS A 242 -7.234 27.740 19.298 1.00 0.00 H new ATOM 0 HB2 CYS A 242 -5.207 29.129 17.458 1.00 0.00 H new ATOM 0 HB3 CYS A 242 -5.218 29.488 19.173 1.00 0.00 H new ATOM 0 HG CYS A 242 -3.965 26.807 17.646 1.00 0.00 H new ATOM 853 N SER A 243 -8.327 30.344 17.730 1.00 0.00 N ATOM 854 CA SER A 243 -9.035 31.617 17.864 1.00 0.00 C ATOM 855 C SER A 243 -10.193 31.764 16.873 1.00 0.00 C ATOM 856 O SER A 243 -11.206 32.367 17.230 1.00 0.00 O ATOM 857 CB SER A 243 -8.031 32.762 17.682 1.00 0.00 C ATOM 858 OG SER A 243 -8.638 34.016 17.917 1.00 0.00 O ATOM 0 H SER A 243 -8.336 29.969 16.781 1.00 0.00 H new ATOM 0 HA SER A 243 -9.479 31.649 18.859 1.00 0.00 H new ATOM 0 HB2 SER A 243 -7.193 32.627 18.366 1.00 0.00 H new ATOM 0 HB3 SER A 243 -7.625 32.736 16.671 1.00 0.00 H new ATOM 0 HG SER A 243 -7.976 34.728 17.796 1.00 0.00 H new ATOM 864 N GLN A 244 -10.069 31.211 15.657 1.00 0.00 N ATOM 865 CA GLN A 244 -11.154 31.251 14.668 1.00 0.00 C ATOM 866 C GLN A 244 -12.316 30.333 15.076 1.00 0.00 C ATOM 867 O GLN A 244 -13.444 30.620 14.691 1.00 0.00 O ATOM 868 CB GLN A 244 -10.613 30.929 13.265 1.00 0.00 C ATOM 869 CG GLN A 244 -11.528 31.292 12.078 1.00 0.00 C ATOM 870 CD GLN A 244 -12.700 30.332 11.836 1.00 0.00 C ATOM 871 OE1 GLN A 244 -13.827 30.768 11.612 1.00 0.00 O ATOM 872 NE2 GLN A 244 -12.444 29.024 11.857 1.00 0.00 N ATOM 0 H GLN A 244 -9.228 30.731 15.336 1.00 0.00 H new ATOM 0 HA GLN A 244 -11.559 32.262 14.636 1.00 0.00 H new ATOM 0 HB2 GLN A 244 -9.664 31.450 13.137 1.00 0.00 H new ATOM 0 HB3 GLN A 244 -10.399 29.861 13.218 1.00 0.00 H new ATOM 0 HG2 GLN A 244 -11.928 32.293 12.241 1.00 0.00 H new ATOM 0 HG3 GLN A 244 -10.922 31.335 11.173 1.00 0.00 H new ATOM 0 HE21 GLN A 244 -11.498 28.692 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 244 -13.194 28.355 11.684 1.00 0.00 H new ATOM 881 N GLU A 245 -12.064 29.301 15.906 1.00 0.00 N ATOM 882 CA GLU A 245 -13.069 28.393 16.473 1.00 0.00 C ATOM 883 C GLU A 245 -14.253 29.120 17.129 1.00 0.00 C ATOM 884 O GLU A 245 -15.357 28.575 17.162 1.00 0.00 O ATOM 885 CB GLU A 245 -12.418 27.497 17.547 1.00 0.00 C ATOM 886 CG GLU A 245 -11.363 26.507 17.036 1.00 0.00 C ATOM 887 CD GLU A 245 -11.945 25.469 16.076 1.00 0.00 C ATOM 888 OE1 GLU A 245 -12.785 24.664 16.537 1.00 0.00 O ATOM 889 OE2 GLU A 245 -11.527 25.478 14.897 1.00 0.00 O ATOM 0 H GLU A 245 -11.117 29.072 16.208 1.00 0.00 H new ATOM 0 HA GLU A 245 -13.451 27.812 15.634 1.00 0.00 H new ATOM 0 HB2 GLU A 245 -11.955 28.138 18.297 1.00 0.00 H new ATOM 0 HB3 GLU A 245 -13.204 26.934 18.050 1.00 0.00 H new ATOM 0 HG2 GLU A 245 -10.568 27.057 16.532 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -10.908 25.996 17.885 1.00 0.00 H new ATOM 896 N ARG A 246 -14.025 30.336 17.652 1.00 0.00 N ATOM 897 CA ARG A 246 -15.046 31.168 18.272 1.00 0.00 C ATOM 898 C ARG A 246 -16.091 31.578 17.227 1.00 0.00 C ATOM 899 O ARG A 246 -15.735 32.031 16.140 1.00 0.00 O ATOM 900 CB ARG A 246 -14.362 32.390 18.912 1.00 0.00 C ATOM 901 CG ARG A 246 -15.238 33.132 19.934 1.00 0.00 C ATOM 902 CD ARG A 246 -15.517 32.275 21.179 1.00 0.00 C ATOM 903 NE ARG A 246 -16.172 33.048 22.247 1.00 0.00 N ATOM 904 CZ ARG A 246 -15.551 33.787 23.181 1.00 0.00 C ATOM 905 NH1 ARG A 246 -14.223 33.931 23.201 1.00 0.00 N ATOM 906 NH2 ARG A 246 -16.277 34.397 24.117 1.00 0.00 N ATOM 0 H ARG A 246 -13.102 30.769 17.651 1.00 0.00 H new ATOM 0 HA ARG A 246 -15.570 30.616 19.052 1.00 0.00 H new ATOM 0 HB2 ARG A 246 -13.445 32.065 19.403 1.00 0.00 H new ATOM 0 HB3 ARG A 246 -14.072 33.085 18.124 1.00 0.00 H new ATOM 0 HG2 ARG A 246 -14.743 34.056 20.233 1.00 0.00 H new ATOM 0 HG3 ARG A 246 -16.182 33.412 19.467 1.00 0.00 H new ATOM 0 HD2 ARG A 246 -16.149 31.431 20.903 1.00 0.00 H new ATOM 0 HD3 ARG A 246 -14.580 31.863 21.553 1.00 0.00 H new ATOM 0 HE ARG A 246 -17.191 33.020 22.281 1.00 0.00 H new ATOM 0 HH11 ARG A 246 -13.650 33.473 22.493 1.00 0.00 H new ATOM 0 HH12 ARG A 246 -13.782 34.499 23.924 1.00 0.00 H new ATOM 0 HH21 ARG A 246 -17.292 34.300 24.119 1.00 0.00 H new ATOM 0 HH22 ARG A 246 -15.817 34.961 24.832 1.00 0.00 H new ATOM 920 N LYS A 247 -17.375 31.409 17.583 1.00 0.00 N ATOM 921 CA LYS A 247 -18.576 31.617 16.762 1.00 0.00 C ATOM 922 C LYS A 247 -18.813 30.500 15.730 1.00 0.00 C ATOM 923 O LYS A 247 -19.968 30.129 15.520 1.00 0.00 O ATOM 924 CB LYS A 247 -18.573 33.015 16.107 1.00 0.00 C ATOM 925 CG LYS A 247 -19.950 33.423 15.558 1.00 0.00 C ATOM 926 CD LYS A 247 -19.998 34.854 14.994 1.00 0.00 C ATOM 927 CE LYS A 247 -19.211 35.050 13.689 1.00 0.00 C ATOM 928 NZ LYS A 247 -17.768 35.268 13.912 1.00 0.00 N ATOM 0 H LYS A 247 -17.617 31.100 18.524 1.00 0.00 H new ATOM 0 HA LYS A 247 -19.424 31.568 17.445 1.00 0.00 H new ATOM 0 HB2 LYS A 247 -18.247 33.753 16.840 1.00 0.00 H new ATOM 0 HB3 LYS A 247 -17.846 33.029 15.295 1.00 0.00 H new ATOM 0 HG2 LYS A 247 -20.239 32.724 14.773 1.00 0.00 H new ATOM 0 HG3 LYS A 247 -20.689 33.332 16.354 1.00 0.00 H new ATOM 0 HD2 LYS A 247 -21.039 35.128 14.821 1.00 0.00 H new ATOM 0 HD3 LYS A 247 -19.608 35.541 15.745 1.00 0.00 H new ATOM 0 HE2 LYS A 247 -19.347 34.174 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 247 -19.622 35.902 13.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 247 -17.425 36.010 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 247 -17.610 35.564 14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 247 -17.251 34.384 13.728 1.00 0.00 H new ATOM 942 N LYS A 248 -17.755 29.951 15.109 1.00 0.00 N ATOM 943 CA LYS A 248 -17.848 28.879 14.117 1.00 0.00 C ATOM 944 C LYS A 248 -16.503 28.148 13.998 1.00 0.00 C ATOM 945 O LYS A 248 -15.459 28.789 13.907 1.00 0.00 O ATOM 946 CB LYS A 248 -18.241 29.487 12.756 1.00 0.00 C ATOM 947 CG LYS A 248 -18.619 28.408 11.727 1.00 0.00 C ATOM 948 CD LYS A 248 -18.952 28.989 10.346 1.00 0.00 C ATOM 949 CE LYS A 248 -17.712 29.593 9.679 1.00 0.00 C ATOM 950 NZ LYS A 248 -18.010 30.072 8.317 1.00 0.00 N ATOM 0 H LYS A 248 -16.796 30.249 15.289 1.00 0.00 H new ATOM 0 HA LYS A 248 -18.605 28.159 14.429 1.00 0.00 H new ATOM 0 HB2 LYS A 248 -19.082 30.167 12.893 1.00 0.00 H new ATOM 0 HB3 LYS A 248 -17.411 30.079 12.371 1.00 0.00 H new ATOM 0 HG2 LYS A 248 -17.794 27.702 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 248 -19.477 27.846 12.096 1.00 0.00 H new ATOM 0 HD2 LYS A 248 -19.364 28.206 9.710 1.00 0.00 H new ATOM 0 HD3 LYS A 248 -19.721 29.754 10.448 1.00 0.00 H new ATOM 0 HE2 LYS A 248 -17.339 30.420 10.283 1.00 0.00 H new ATOM 0 HE3 LYS A 248 -16.919 28.846 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 248 -17.149 30.475 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 248 -18.342 29.277 7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 248 -18.749 30.803 8.360 1.00 0.00 H new ATOM 964 N LYS A 249 -16.543 26.810 13.942 1.00 0.00 N ATOM 965 CA LYS A 249 -15.388 25.960 13.655 1.00 0.00 C ATOM 966 C LYS A 249 -14.894 26.157 12.214 1.00 0.00 C ATOM 967 O LYS A 249 -13.672 26.366 12.060 1.00 0.00 O ATOM 968 CB LYS A 249 -15.767 24.500 13.947 1.00 0.00 C ATOM 969 CG LYS A 249 -14.602 23.530 13.681 1.00 0.00 C ATOM 970 CD LYS A 249 -14.859 22.123 14.236 1.00 0.00 C ATOM 971 CE LYS A 249 -14.844 22.117 15.769 1.00 0.00 C ATOM 972 NZ LYS A 249 -15.055 20.762 16.308 1.00 0.00 N ATOM 973 OXT LYS A 249 -15.736 26.085 11.290 1.00 0.00 O ATOM 0 H LYS A 249 -17.400 26.280 14.099 1.00 0.00 H new ATOM 0 HA LYS A 249 -14.554 26.241 14.299 1.00 0.00 H new ATOM 0 HB2 LYS A 249 -16.082 24.410 14.987 1.00 0.00 H new ATOM 0 HB3 LYS A 249 -16.620 24.218 13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 249 -14.428 23.465 12.607 1.00 0.00 H new ATOM 0 HG3 LYS A 249 -13.692 23.931 14.128 1.00 0.00 H new ATOM 0 HD2 LYS A 249 -15.822 21.759 13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 249 -14.100 21.437 13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 249 -13.891 22.507 16.126 1.00 0.00 H new ATOM 0 HE3 LYS A 249 -15.621 22.783 16.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 249 -15.039 20.795 17.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 249 -15.976 20.400 15.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 249 -14.299 20.132 15.970 1.00 0.00 H new TER 987 LYS A 249 HETATM 988 ZN ZN A 250 -1.375 25.122 5.443 1.00 0.00 ZN HETATM 989 ZN ZN A 251 -1.468 28.489 17.811 1.00 0.00 ZN