USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 289 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 Set 1.1: A 220 THR OG1 : rot -87:sc= -0.107 USER MOD Set 1.2: A 222 HIS : no HE2:sc= -5.32! C(o=-5.4!,f=-8.4!) USER MOD Set 2.1: A 204 CYS SG : rot 157:sc= -3.62! USER MOD Set 2.2: A 207 CYS SG : rot -56:sc= -3.15! USER MOD Set 2.3: A 225 CYS SG : rot -139:sc= 0.252 USER MOD Set 2.4: A 228 CYS SG : rot 162:sc= -0.372 USER MOD Single : A 206 ASN : amide:sc= -10.1! C(o=-10!,f=-17!) USER MOD Single : A 210 THR OG1 : rot 180:sc= 0 USER MOD Single : A 212 THR OG1 : rot -152:sc= -1.69! USER MOD Single : A 223 TYR OH : rot 180:sc= -0.641 USER MOD Single : A 226 ASN : amide:sc= -2.31! C(o=-2.3!,f=-8.1!) USER MOD Single : A 231 TYR OH : rot 180:sc= 0 USER MOD Single : A 232 HIS :FLIP no HE2:sc= 0.0298 F(o=-0.97,f=0.03) USER MOD Single : A 233 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 234 MET CE :methyl 146:sc= -0.216 (180deg=-2.41!) USER MOD Single : A 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 237 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 238 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 36 N ALA A 201 -1.421 -14.300 -2.534 1.00 1.00 N ATOM 37 CA ALA A 201 -1.970 -13.027 -1.983 1.00 1.00 C ATOM 38 C ALA A 201 -1.580 -11.845 -2.875 1.00 1.00 C ATOM 39 O ALA A 201 -0.771 -11.970 -3.774 1.00 1.00 O ATOM 40 CB ALA A 201 -1.334 -12.886 -0.602 1.00 1.00 C ATOM 0 HA ALA A 201 -3.059 -13.038 -1.933 1.00 1.00 H new ATOM 0 HB1 ALA A 201 -1.689 -11.970 -0.130 1.00 1.00 H new ATOM 0 HB2 ALA A 201 -1.609 -13.742 0.014 1.00 1.00 H new ATOM 0 HB3 ALA A 201 -0.249 -12.845 -0.703 1.00 1.00 H new ATOM 46 N ARG A 202 -2.149 -10.696 -2.629 1.00 1.00 N ATOM 47 CA ARG A 202 -1.810 -9.502 -3.454 1.00 1.00 C ATOM 48 C ARG A 202 -0.397 -9.020 -3.125 1.00 1.00 C ATOM 49 O ARG A 202 0.226 -9.492 -2.194 1.00 1.00 O ATOM 50 CB ARG A 202 -2.840 -8.442 -3.055 1.00 1.00 C ATOM 51 CG ARG A 202 -4.125 -8.646 -3.860 1.00 1.00 C ATOM 52 CD ARG A 202 -5.164 -9.358 -2.993 1.00 1.00 C ATOM 53 NE ARG A 202 -6.207 -9.824 -3.949 1.00 1.00 N ATOM 54 CZ ARG A 202 -6.150 -11.032 -4.438 1.00 1.00 C ATOM 55 NH1 ARG A 202 -6.425 -12.058 -3.678 1.00 1.00 N ATOM 56 NH2 ARG A 202 -5.815 -11.215 -5.686 1.00 1.00 N ATOM 0 H ARG A 202 -2.835 -10.533 -1.892 1.00 1.00 H new ATOM 0 HA ARG A 202 -1.835 -9.716 -4.522 1.00 1.00 H new ATOM 0 HB2 ARG A 202 -3.053 -8.510 -1.988 1.00 1.00 H new ATOM 0 HB3 ARG A 202 -2.439 -7.445 -3.237 1.00 1.00 H new ATOM 0 HG2 ARG A 202 -4.513 -7.684 -4.195 1.00 1.00 H new ATOM 0 HG3 ARG A 202 -3.917 -9.234 -4.754 1.00 1.00 H new ATOM 0 HD2 ARG A 202 -4.721 -10.195 -2.453 1.00 1.00 H new ATOM 0 HD3 ARG A 202 -5.585 -8.684 -2.247 1.00 1.00 H new ATOM 0 HE ARG A 202 -6.966 -9.199 -4.221 1.00 1.00 H new ATOM 0 HH11 ARG A 202 -6.684 -11.915 -2.702 1.00 1.00 H new ATOM 0 HH12 ARG A 202 -6.380 -13.003 -4.061 1.00 1.00 H new ATOM 0 HH21 ARG A 202 -5.598 -10.414 -6.279 1.00 1.00 H new ATOM 0 HH22 ARG A 202 -5.770 -12.159 -6.069 1.00 1.00 H new ATOM 70 N GLU A 203 0.111 -8.081 -3.873 1.00 1.00 N ATOM 71 CA GLU A 203 1.482 -7.567 -3.594 1.00 1.00 C ATOM 72 C GLU A 203 1.439 -6.050 -3.389 1.00 1.00 C ATOM 73 O GLU A 203 1.132 -5.300 -4.293 1.00 1.00 O ATOM 74 CB GLU A 203 2.306 -7.921 -4.832 1.00 1.00 C ATOM 75 CG GLU A 203 3.423 -8.891 -4.443 1.00 1.00 C ATOM 76 CD GLU A 203 4.302 -9.177 -5.663 1.00 1.00 C ATOM 77 OE1 GLU A 203 4.758 -8.226 -6.275 1.00 1.00 O ATOM 78 OE2 GLU A 203 4.502 -10.343 -5.963 1.00 1.00 O ATOM 0 H GLU A 203 -0.363 -7.647 -4.665 1.00 1.00 H new ATOM 0 HA GLU A 203 1.910 -8.001 -2.690 1.00 1.00 H new ATOM 0 HB2 GLU A 203 1.666 -8.372 -5.591 1.00 1.00 H new ATOM 0 HB3 GLU A 203 2.731 -7.018 -5.269 1.00 1.00 H new ATOM 0 HG2 GLU A 203 4.025 -8.465 -3.640 1.00 1.00 H new ATOM 0 HG3 GLU A 203 2.996 -9.820 -4.064 1.00 1.00 H new ATOM 85 N CYS A 204 1.742 -5.595 -2.205 1.00 1.00 N ATOM 86 CA CYS A 204 1.717 -4.132 -1.936 1.00 1.00 C ATOM 87 C CYS A 204 2.512 -3.380 -3.004 1.00 1.00 C ATOM 88 O CYS A 204 3.717 -3.495 -3.088 1.00 1.00 O ATOM 89 CB CYS A 204 2.385 -3.979 -0.576 1.00 1.00 C ATOM 90 SG CYS A 204 2.261 -2.262 -0.034 1.00 1.00 S ATOM 0 H CYS A 204 2.007 -6.177 -1.410 1.00 1.00 H new ATOM 0 HA CYS A 204 0.705 -3.726 -1.950 1.00 1.00 H new ATOM 0 HB2 CYS A 204 1.908 -4.636 0.151 1.00 1.00 H new ATOM 0 HB3 CYS A 204 3.432 -4.277 -0.637 1.00 1.00 H new ATOM 0 HG CYS A 204 2.374 -2.206 1.260 1.00 1.00 H new ATOM 95 N VAL A 205 1.850 -2.603 -3.815 1.00 1.00 N ATOM 96 CA VAL A 205 2.577 -1.841 -4.866 1.00 1.00 C ATOM 97 C VAL A 205 3.737 -1.058 -4.238 1.00 1.00 C ATOM 98 O VAL A 205 4.654 -0.638 -4.915 1.00 1.00 O ATOM 99 CB VAL A 205 1.540 -0.889 -5.461 1.00 1.00 C ATOM 100 CG1 VAL A 205 0.509 -1.691 -6.256 1.00 1.00 C ATOM 101 CG2 VAL A 205 0.837 -0.131 -4.334 1.00 1.00 C ATOM 0 H VAL A 205 0.840 -2.463 -3.795 1.00 1.00 H new ATOM 0 HA VAL A 205 3.008 -2.492 -5.627 1.00 1.00 H new ATOM 0 HB VAL A 205 2.036 -0.179 -6.122 1.00 1.00 H new ATOM 0 HG11 VAL A 205 -0.231 -1.013 -6.681 1.00 1.00 H new ATOM 0 HG12 VAL A 205 1.009 -2.231 -7.060 1.00 1.00 H new ATOM 0 HG13 VAL A 205 0.013 -2.402 -5.595 1.00 1.00 H new ATOM 0 HG21 VAL A 205 0.097 0.548 -4.758 1.00 1.00 H new ATOM 0 HG22 VAL A 205 0.341 -0.841 -3.672 1.00 1.00 H new ATOM 0 HG23 VAL A 205 1.571 0.441 -3.767 1.00 1.00 H new ATOM 111 N ASN A 206 3.692 -0.843 -2.949 1.00 1.00 N ATOM 112 CA ASN A 206 4.779 -0.072 -2.281 1.00 1.00 C ATOM 113 C ASN A 206 5.900 -0.991 -1.783 1.00 1.00 C ATOM 114 O ASN A 206 7.042 -0.847 -2.176 1.00 1.00 O ATOM 115 CB ASN A 206 4.095 0.623 -1.107 1.00 1.00 C ATOM 116 CG ASN A 206 3.305 1.827 -1.621 1.00 1.00 C ATOM 117 OD1 ASN A 206 2.544 1.711 -2.561 1.00 1.00 O ATOM 118 ND2 ASN A 206 3.455 2.986 -1.044 1.00 1.00 N ATOM 0 H ASN A 206 2.949 -1.169 -2.331 1.00 1.00 H new ATOM 0 HA ASN A 206 5.253 0.630 -2.967 1.00 1.00 H new ATOM 0 HB2 ASN A 206 3.429 -0.072 -0.596 1.00 1.00 H new ATOM 0 HB3 ASN A 206 4.838 0.946 -0.378 1.00 1.00 H new ATOM 0 HD21 ASN A 206 2.934 3.795 -1.382 1.00 1.00 H new ATOM 0 HD22 ASN A 206 4.094 3.084 -0.255 1.00 1.00 H new ATOM 125 N CYS A 207 5.609 -1.915 -0.902 1.00 1.00 N ATOM 126 CA CYS A 207 6.689 -2.792 -0.384 1.00 1.00 C ATOM 127 C CYS A 207 6.478 -4.261 -0.799 1.00 1.00 C ATOM 128 O CYS A 207 7.284 -5.117 -0.496 1.00 1.00 O ATOM 129 CB CYS A 207 6.634 -2.597 1.134 1.00 1.00 C ATOM 130 SG CYS A 207 5.249 -3.511 1.853 1.00 1.00 S ATOM 0 H CYS A 207 4.678 -2.095 -0.525 1.00 1.00 H new ATOM 0 HA CYS A 207 7.668 -2.536 -0.790 1.00 1.00 H new ATOM 0 HB2 CYS A 207 7.569 -2.934 1.582 1.00 1.00 H new ATOM 0 HB3 CYS A 207 6.534 -1.536 1.365 1.00 1.00 H new ATOM 0 HG CYS A 207 4.141 -3.138 1.284 1.00 1.00 H new ATOM 135 N GLY A 208 5.421 -4.553 -1.515 1.00 1.00 N ATOM 136 CA GLY A 208 5.189 -5.959 -1.978 1.00 1.00 C ATOM 137 C GLY A 208 4.739 -6.843 -0.814 1.00 1.00 C ATOM 138 O GLY A 208 4.674 -8.051 -0.926 1.00 1.00 O ATOM 0 H GLY A 208 4.709 -3.881 -1.799 1.00 1.00 H new ATOM 0 HA2 GLY A 208 4.432 -5.969 -2.763 1.00 1.00 H new ATOM 0 HA3 GLY A 208 6.104 -6.360 -2.413 1.00 1.00 H new ATOM 142 N ALA A 209 4.425 -6.253 0.298 1.00 1.00 N ATOM 143 CA ALA A 209 3.975 -7.047 1.475 1.00 1.00 C ATOM 144 C ALA A 209 2.885 -8.041 1.059 1.00 1.00 C ATOM 145 O ALA A 209 1.818 -7.658 0.627 1.00 1.00 O ATOM 146 CB ALA A 209 3.409 -6.009 2.441 1.00 1.00 C ATOM 0 H ALA A 209 4.460 -5.245 0.447 1.00 1.00 H new ATOM 0 HA ALA A 209 4.781 -7.631 1.919 1.00 1.00 H new ATOM 0 HB1 ALA A 209 3.052 -6.507 3.342 1.00 1.00 H new ATOM 0 HB2 ALA A 209 4.189 -5.295 2.706 1.00 1.00 H new ATOM 0 HB3 ALA A 209 2.582 -5.482 1.965 1.00 1.00 H new ATOM 152 N THR A 210 3.147 -9.314 1.188 1.00 1.00 N ATOM 153 CA THR A 210 2.123 -10.327 0.798 1.00 1.00 C ATOM 154 C THR A 210 1.467 -10.926 2.046 1.00 1.00 C ATOM 155 O THR A 210 0.504 -11.661 1.961 1.00 1.00 O ATOM 156 CB THR A 210 2.901 -11.398 0.034 1.00 1.00 C ATOM 157 OG1 THR A 210 3.878 -10.776 -0.788 1.00 1.00 O ATOM 158 CG2 THR A 210 1.939 -12.205 -0.838 1.00 1.00 C ATOM 0 H THR A 210 4.023 -9.696 1.545 1.00 1.00 H new ATOM 0 HA THR A 210 1.323 -9.896 0.197 1.00 1.00 H new ATOM 0 HB THR A 210 3.393 -12.065 0.743 1.00 1.00 H new ATOM 0 HG1 THR A 210 4.379 -11.462 -1.277 1.00 1.00 H new ATOM 0 HG21 THR A 210 2.495 -12.968 -1.382 1.00 1.00 H new ATOM 0 HG22 THR A 210 1.189 -12.683 -0.207 1.00 1.00 H new ATOM 0 HG23 THR A 210 1.446 -11.540 -1.547 1.00 1.00 H new ATOM 166 N ALA A 211 1.981 -10.615 3.203 1.00 1.00 N ATOM 167 CA ALA A 211 1.388 -11.161 4.457 1.00 1.00 C ATOM 168 C ALA A 211 0.693 -10.044 5.239 1.00 1.00 C ATOM 169 O ALA A 211 0.934 -9.852 6.414 1.00 1.00 O ATOM 170 CB ALA A 211 2.577 -11.712 5.246 1.00 1.00 C ATOM 0 H ALA A 211 2.788 -10.005 3.335 1.00 1.00 H new ATOM 0 HA ALA A 211 0.637 -11.927 4.264 1.00 1.00 H new ATOM 0 HB1 ALA A 211 2.225 -12.134 6.187 1.00 1.00 H new ATOM 0 HB2 ALA A 211 3.072 -12.488 4.663 1.00 1.00 H new ATOM 0 HB3 ALA A 211 3.282 -10.907 5.451 1.00 1.00 H new ATOM 176 N THR A 212 -0.167 -9.302 4.592 1.00 1.00 N ATOM 177 CA THR A 212 -0.876 -8.195 5.294 1.00 1.00 C ATOM 178 C THR A 212 -2.276 -8.645 5.724 1.00 1.00 C ATOM 179 O THR A 212 -2.868 -9.510 5.111 1.00 1.00 O ATOM 180 CB THR A 212 -0.970 -7.071 4.261 1.00 1.00 C ATOM 181 OG1 THR A 212 -1.359 -5.866 4.905 1.00 1.00 O ATOM 182 CG2 THR A 212 -2.003 -7.437 3.194 1.00 1.00 C ATOM 0 H THR A 212 -0.408 -9.416 3.607 1.00 1.00 H new ATOM 0 HA THR A 212 -0.355 -7.880 6.198 1.00 1.00 H new ATOM 0 HB THR A 212 0.003 -6.933 3.789 1.00 1.00 H new ATOM 0 HG1 THR A 212 -1.844 -5.298 4.271 1.00 1.00 H new ATOM 0 HG21 THR A 212 -2.068 -6.634 2.460 1.00 1.00 H new ATOM 0 HG22 THR A 212 -1.702 -8.360 2.698 1.00 1.00 H new ATOM 0 HG23 THR A 212 -2.977 -7.578 3.663 1.00 1.00 H new ATOM 190 N PRO A 213 -2.757 -8.037 6.775 1.00 1.00 N ATOM 191 CA PRO A 213 -4.103 -8.373 7.304 1.00 1.00 C ATOM 192 C PRO A 213 -5.198 -7.852 6.366 1.00 1.00 C ATOM 193 O PRO A 213 -6.130 -8.559 6.035 1.00 1.00 O ATOM 194 CB PRO A 213 -4.149 -7.653 8.649 1.00 1.00 C ATOM 195 CG PRO A 213 -3.169 -6.530 8.521 1.00 1.00 C ATOM 196 CD PRO A 213 -2.101 -6.987 7.563 1.00 1.00 C ATOM 0 HA PRO A 213 -4.271 -9.446 7.394 1.00 1.00 H new ATOM 0 HB2 PRO A 213 -5.151 -7.280 8.863 1.00 1.00 H new ATOM 0 HB3 PRO A 213 -3.877 -8.323 9.465 1.00 1.00 H new ATOM 0 HG2 PRO A 213 -3.660 -5.630 8.151 1.00 1.00 H new ATOM 0 HG3 PRO A 213 -2.737 -6.282 9.491 1.00 1.00 H new ATOM 0 HD2 PRO A 213 -1.756 -6.169 6.930 1.00 1.00 H new ATOM 0 HD3 PRO A 213 -1.228 -7.371 8.091 1.00 1.00 H new ATOM 204 N LEU A 214 -5.096 -6.624 5.937 1.00 1.00 N ATOM 205 CA LEU A 214 -6.134 -6.064 5.023 1.00 1.00 C ATOM 206 C LEU A 214 -5.472 -5.317 3.861 1.00 1.00 C ATOM 207 O LEU A 214 -4.441 -4.696 4.019 1.00 1.00 O ATOM 208 CB LEU A 214 -6.941 -5.096 5.890 1.00 1.00 C ATOM 209 CG LEU A 214 -8.352 -4.951 5.316 1.00 1.00 C ATOM 210 CD1 LEU A 214 -9.087 -6.288 5.420 1.00 1.00 C ATOM 211 CD2 LEU A 214 -9.113 -3.888 6.110 1.00 1.00 C ATOM 0 H LEU A 214 -4.340 -5.984 6.179 1.00 1.00 H new ATOM 0 HA LEU A 214 -6.760 -6.841 4.584 1.00 1.00 H new ATOM 0 HB2 LEU A 214 -6.990 -5.464 6.915 1.00 1.00 H new ATOM 0 HB3 LEU A 214 -6.449 -4.124 5.923 1.00 1.00 H new ATOM 0 HG LEU A 214 -8.291 -4.653 4.269 1.00 1.00 H new ATOM 0 HD11 LEU A 214 -10.092 -6.184 5.011 1.00 1.00 H new ATOM 0 HD12 LEU A 214 -8.543 -7.047 4.857 1.00 1.00 H new ATOM 0 HD13 LEU A 214 -9.150 -6.588 6.466 1.00 1.00 H new ATOM 0 HD21 LEU A 214 -10.119 -3.782 5.704 1.00 1.00 H new ATOM 0 HD22 LEU A 214 -9.174 -4.189 7.156 1.00 1.00 H new ATOM 0 HD23 LEU A 214 -8.589 -2.935 6.037 1.00 1.00 H new ATOM 223 N TRP A 215 -6.057 -5.377 2.697 1.00 1.00 N ATOM 224 CA TRP A 215 -5.462 -4.676 1.525 1.00 1.00 C ATOM 225 C TRP A 215 -6.194 -3.359 1.255 1.00 1.00 C ATOM 226 O TRP A 215 -5.685 -2.288 1.518 1.00 1.00 O ATOM 227 CB TRP A 215 -5.654 -5.639 0.358 1.00 1.00 C ATOM 228 CG TRP A 215 -4.695 -6.775 0.492 1.00 1.00 C ATOM 229 CD1 TRP A 215 -4.973 -7.957 1.086 1.00 1.00 C ATOM 230 CD2 TRP A 215 -3.314 -6.856 0.038 1.00 1.00 C ATOM 231 NE1 TRP A 215 -3.851 -8.761 1.027 1.00 1.00 N ATOM 232 CE2 TRP A 215 -2.802 -8.127 0.388 1.00 1.00 C ATOM 233 CE3 TRP A 215 -2.465 -5.961 -0.638 1.00 1.00 C ATOM 234 CZ2 TRP A 215 -1.493 -8.498 0.080 1.00 1.00 C ATOM 235 CZ3 TRP A 215 -1.146 -6.331 -0.949 1.00 1.00 C ATOM 236 CH2 TRP A 215 -0.661 -7.596 -0.591 1.00 1.00 C ATOM 0 H TRP A 215 -6.923 -5.882 2.507 1.00 1.00 H new ATOM 0 HA TRP A 215 -4.414 -4.424 1.687 1.00 1.00 H new ATOM 0 HB2 TRP A 215 -6.678 -6.012 0.344 1.00 1.00 H new ATOM 0 HB3 TRP A 215 -5.491 -5.120 -0.587 1.00 1.00 H new ATOM 0 HD1 TRP A 215 -5.918 -8.228 1.534 1.00 1.00 H new ATOM 0 HE1 TRP A 215 -3.803 -9.706 1.408 1.00 1.00 H new ATOM 0 HE3 TRP A 215 -2.829 -4.984 -0.919 1.00 1.00 H new ATOM 0 HZ2 TRP A 215 -1.125 -9.475 0.358 1.00 1.00 H new ATOM 0 HZ3 TRP A 215 -0.502 -5.636 -1.467 1.00 1.00 H new ATOM 0 HH2 TRP A 215 0.354 -7.874 -0.833 1.00 1.00 H new ATOM 247 N ARG A 216 -7.381 -3.431 0.719 1.00 1.00 N ATOM 248 CA ARG A 216 -8.144 -2.184 0.417 1.00 1.00 C ATOM 249 C ARG A 216 -7.408 -1.371 -0.651 1.00 1.00 C ATOM 250 O ARG A 216 -6.233 -1.084 -0.527 1.00 1.00 O ATOM 251 CB ARG A 216 -8.205 -1.416 1.741 1.00 1.00 C ATOM 252 CG ARG A 216 -9.630 -1.471 2.298 1.00 1.00 C ATOM 253 CD ARG A 216 -10.619 -1.021 1.219 1.00 1.00 C ATOM 254 NE ARG A 216 -11.237 0.222 1.756 1.00 1.00 N ATOM 255 CZ ARG A 216 -11.866 1.037 0.953 1.00 1.00 C ATOM 256 NH1 ARG A 216 -11.251 1.534 -0.084 1.00 1.00 N ATOM 257 NH2 ARG A 216 -13.112 1.350 1.186 1.00 1.00 N ATOM 0 H ARG A 216 -7.857 -4.300 0.476 1.00 1.00 H new ATOM 0 HA ARG A 216 -9.142 -2.391 0.030 1.00 1.00 H new ATOM 0 HB2 ARG A 216 -7.506 -1.849 2.457 1.00 1.00 H new ATOM 0 HB3 ARG A 216 -7.903 -0.380 1.587 1.00 1.00 H new ATOM 0 HG2 ARG A 216 -9.866 -2.485 2.622 1.00 1.00 H new ATOM 0 HG3 ARG A 216 -9.714 -0.828 3.174 1.00 1.00 H new ATOM 0 HD2 ARG A 216 -10.112 -0.832 0.273 1.00 1.00 H new ATOM 0 HD3 ARG A 216 -11.372 -1.786 1.030 1.00 1.00 H new ATOM 0 HE ARG A 216 -11.169 0.437 2.751 1.00 1.00 H new ATOM 0 HH11 ARG A 216 -10.279 1.286 -0.268 1.00 1.00 H new ATOM 0 HH12 ARG A 216 -11.742 2.171 -0.711 1.00 1.00 H new ATOM 0 HH21 ARG A 216 -13.594 0.958 1.995 1.00 1.00 H new ATOM 0 HH22 ARG A 216 -13.604 1.987 0.559 1.00 1.00 H new ATOM 271 N ARG A 217 -8.086 -1.008 -1.706 1.00 1.00 N ATOM 272 CA ARG A 217 -7.424 -0.227 -2.789 1.00 1.00 C ATOM 273 C ARG A 217 -7.547 1.276 -2.522 1.00 1.00 C ATOM 274 O ARG A 217 -8.331 1.711 -1.702 1.00 1.00 O ATOM 275 CB ARG A 217 -8.182 -0.607 -4.060 1.00 1.00 C ATOM 276 CG ARG A 217 -8.365 -2.125 -4.113 1.00 1.00 C ATOM 277 CD ARG A 217 -9.296 -2.487 -5.273 1.00 1.00 C ATOM 278 NE ARG A 217 -8.469 -2.317 -6.501 1.00 1.00 N ATOM 279 CZ ARG A 217 -9.043 -2.275 -7.672 1.00 1.00 C ATOM 280 NH1 ARG A 217 -9.257 -3.378 -8.335 1.00 1.00 N ATOM 281 NH2 ARG A 217 -9.403 -1.128 -8.182 1.00 1.00 N ATOM 0 H ARG A 217 -9.071 -1.219 -1.864 1.00 1.00 H new ATOM 0 HA ARG A 217 -6.358 -0.445 -2.861 1.00 1.00 H new ATOM 0 HB2 ARG A 217 -9.153 -0.113 -4.078 1.00 1.00 H new ATOM 0 HB3 ARG A 217 -7.634 -0.266 -4.938 1.00 1.00 H new ATOM 0 HG2 ARG A 217 -7.399 -2.614 -4.242 1.00 1.00 H new ATOM 0 HG3 ARG A 217 -8.782 -2.485 -3.172 1.00 1.00 H new ATOM 0 HD2 ARG A 217 -9.661 -3.510 -5.182 1.00 1.00 H new ATOM 0 HD3 ARG A 217 -10.171 -1.837 -5.294 1.00 1.00 H new ATOM 0 HE ARG A 217 -7.455 -2.234 -6.426 1.00 1.00 H new ATOM 0 HH11 ARG A 217 -8.976 -4.274 -7.938 1.00 1.00 H new ATOM 0 HH12 ARG A 217 -9.706 -3.344 -9.250 1.00 1.00 H new ATOM 0 HH21 ARG A 217 -9.235 -0.265 -7.665 1.00 1.00 H new ATOM 0 HH22 ARG A 217 -9.852 -1.095 -9.097 1.00 1.00 H new ATOM 295 N ASP A 218 -6.771 2.070 -3.208 1.00 1.00 N ATOM 296 CA ASP A 218 -6.827 3.539 -2.999 1.00 1.00 C ATOM 297 C ASP A 218 -7.193 4.249 -4.308 1.00 1.00 C ATOM 298 O ASP A 218 -7.817 3.677 -5.180 1.00 1.00 O ATOM 299 CB ASP A 218 -5.410 3.907 -2.567 1.00 1.00 C ATOM 300 CG ASP A 218 -4.406 3.367 -3.587 1.00 1.00 C ATOM 301 OD1 ASP A 218 -4.430 2.173 -3.836 1.00 1.00 O ATOM 302 OD2 ASP A 218 -3.633 4.157 -4.102 1.00 1.00 O ATOM 0 H ASP A 218 -6.097 1.759 -3.908 1.00 1.00 H new ATOM 0 HA ASP A 218 -7.577 3.833 -2.265 1.00 1.00 H new ATOM 0 HB2 ASP A 218 -5.314 4.990 -2.485 1.00 1.00 H new ATOM 0 HB3 ASP A 218 -5.200 3.493 -1.581 1.00 1.00 H new ATOM 307 N ARG A 219 -6.808 5.489 -4.452 1.00 1.00 N ATOM 308 CA ARG A 219 -7.132 6.234 -5.702 1.00 1.00 C ATOM 309 C ARG A 219 -6.551 5.513 -6.918 1.00 1.00 C ATOM 310 O ARG A 219 -7.131 5.510 -7.986 1.00 1.00 O ATOM 311 CB ARG A 219 -6.466 7.598 -5.536 1.00 1.00 C ATOM 312 CG ARG A 219 -7.538 8.686 -5.458 1.00 1.00 C ATOM 313 CD ARG A 219 -7.988 8.860 -4.006 1.00 1.00 C ATOM 314 NE ARG A 219 -9.474 8.777 -4.053 1.00 1.00 N ATOM 315 CZ ARG A 219 -10.198 9.711 -3.500 1.00 1.00 C ATOM 316 NH1 ARG A 219 -10.474 9.655 -2.224 1.00 1.00 N ATOM 317 NH2 ARG A 219 -10.647 10.701 -4.221 1.00 1.00 N ATOM 0 H ARG A 219 -6.282 6.018 -3.756 1.00 1.00 H new ATOM 0 HA ARG A 219 -8.207 6.315 -5.860 1.00 1.00 H new ATOM 0 HB2 ARG A 219 -5.856 7.609 -4.633 1.00 1.00 H new ATOM 0 HB3 ARG A 219 -5.797 7.792 -6.374 1.00 1.00 H new ATOM 0 HG2 ARG A 219 -7.144 9.627 -5.843 1.00 1.00 H new ATOM 0 HG3 ARG A 219 -8.389 8.417 -6.083 1.00 1.00 H new ATOM 0 HD2 ARG A 219 -7.569 8.083 -3.367 1.00 1.00 H new ATOM 0 HD3 ARG A 219 -7.658 9.817 -3.602 1.00 1.00 H new ATOM 0 HE ARG A 219 -9.926 7.990 -4.518 1.00 1.00 H new ATOM 0 HH11 ARG A 219 -10.123 8.881 -1.660 1.00 1.00 H new ATOM 0 HH12 ARG A 219 -11.040 10.385 -1.792 1.00 1.00 H new ATOM 0 HH21 ARG A 219 -10.432 10.745 -5.217 1.00 1.00 H new ATOM 0 HH22 ARG A 219 -11.213 11.431 -3.789 1.00 1.00 H new ATOM 331 N THR A 220 -5.403 4.911 -6.770 1.00 1.00 N ATOM 332 CA THR A 220 -4.785 4.202 -7.925 1.00 1.00 C ATOM 333 C THR A 220 -5.260 2.747 -7.972 1.00 1.00 C ATOM 334 O THR A 220 -4.741 1.938 -8.715 1.00 1.00 O ATOM 335 CB THR A 220 -3.279 4.271 -7.672 1.00 1.00 C ATOM 336 OG1 THR A 220 -2.969 3.572 -6.475 1.00 1.00 O ATOM 337 CG2 THR A 220 -2.851 5.733 -7.538 1.00 1.00 C ATOM 0 H THR A 220 -4.868 4.879 -5.902 1.00 1.00 H new ATOM 0 HA THR A 220 -5.058 4.652 -8.880 1.00 1.00 H new ATOM 0 HB THR A 220 -2.747 3.814 -8.507 1.00 1.00 H new ATOM 0 HG1 THR A 220 -3.056 4.178 -5.710 1.00 1.00 H new ATOM 0 HG21 THR A 220 -1.777 5.783 -7.358 1.00 1.00 H new ATOM 0 HG22 THR A 220 -3.090 6.268 -8.457 1.00 1.00 H new ATOM 0 HG23 THR A 220 -3.381 6.192 -6.703 1.00 1.00 H new ATOM 345 N GLY A 221 -6.247 2.412 -7.189 1.00 1.00 N ATOM 346 CA GLY A 221 -6.763 1.014 -7.192 1.00 1.00 C ATOM 347 C GLY A 221 -5.637 0.041 -6.835 1.00 1.00 C ATOM 348 O GLY A 221 -5.755 -1.153 -7.032 1.00 1.00 O ATOM 0 H GLY A 221 -6.720 3.047 -6.546 1.00 1.00 H new ATOM 0 HA2 GLY A 221 -7.579 0.917 -6.476 1.00 1.00 H new ATOM 0 HA3 GLY A 221 -7.169 0.769 -8.174 1.00 1.00 H new ATOM 352 N HIS A 222 -4.550 0.534 -6.308 1.00 1.00 N ATOM 353 CA HIS A 222 -3.427 -0.374 -5.940 1.00 1.00 C ATOM 354 C HIS A 222 -3.813 -1.217 -4.719 1.00 1.00 C ATOM 355 O HIS A 222 -4.942 -1.197 -4.274 1.00 1.00 O ATOM 356 CB HIS A 222 -2.256 0.551 -5.610 1.00 1.00 C ATOM 357 CG HIS A 222 -1.718 1.149 -6.881 1.00 1.00 C ATOM 358 ND1 HIS A 222 -2.429 1.121 -8.070 1.00 1.00 N ATOM 359 CD2 HIS A 222 -0.538 1.791 -7.165 1.00 1.00 C ATOM 360 CE1 HIS A 222 -1.678 1.732 -9.006 1.00 1.00 C ATOM 361 NE2 HIS A 222 -0.516 2.159 -8.507 1.00 1.00 N ATOM 0 H HIS A 222 -4.391 1.523 -6.117 1.00 1.00 H new ATOM 0 HA HIS A 222 -3.177 -1.070 -6.741 1.00 1.00 H new ATOM 0 HB2 HIS A 222 -2.582 1.341 -4.933 1.00 1.00 H new ATOM 0 HB3 HIS A 222 -1.472 -0.006 -5.097 1.00 1.00 H new ATOM 0 HD1 HIS A 222 -3.353 0.712 -8.211 1.00 1.00 H new ATOM 0 HD2 HIS A 222 0.253 1.981 -6.455 1.00 1.00 H new ATOM 0 HE1 HIS A 222 -1.979 1.861 -10.035 1.00 1.00 H new ATOM 369 N TYR A 223 -2.887 -1.961 -4.179 1.00 1.00 N ATOM 370 CA TYR A 223 -3.210 -2.805 -2.996 1.00 1.00 C ATOM 371 C TYR A 223 -2.123 -2.671 -1.927 1.00 1.00 C ATOM 372 O TYR A 223 -1.398 -3.606 -1.651 1.00 1.00 O ATOM 373 CB TYR A 223 -3.241 -4.232 -3.542 1.00 1.00 C ATOM 374 CG TYR A 223 -4.639 -4.570 -4.002 1.00 1.00 C ATOM 375 CD1 TYR A 223 -5.116 -4.059 -5.215 1.00 1.00 C ATOM 376 CD2 TYR A 223 -5.456 -5.392 -3.218 1.00 1.00 C ATOM 377 CE1 TYR A 223 -6.411 -4.372 -5.645 1.00 1.00 C ATOM 378 CE2 TYR A 223 -6.752 -5.704 -3.647 1.00 1.00 C ATOM 379 CZ TYR A 223 -7.228 -5.194 -4.861 1.00 1.00 C ATOM 380 OH TYR A 223 -8.506 -5.502 -5.283 1.00 1.00 O ATOM 0 H TYR A 223 -1.923 -2.020 -4.506 1.00 1.00 H new ATOM 0 HA TYR A 223 -4.150 -2.516 -2.526 1.00 1.00 H new ATOM 0 HB2 TYR A 223 -2.541 -4.330 -4.372 1.00 1.00 H new ATOM 0 HB3 TYR A 223 -2.922 -4.934 -2.771 1.00 1.00 H new ATOM 0 HD1 TYR A 223 -4.485 -3.424 -5.819 1.00 1.00 H new ATOM 0 HD2 TYR A 223 -5.087 -5.786 -2.282 1.00 1.00 H new ATOM 0 HE1 TYR A 223 -6.779 -3.979 -6.581 1.00 1.00 H new ATOM 0 HE2 TYR A 223 -7.384 -6.337 -3.042 1.00 1.00 H new ATOM 0 HH TYR A 223 -8.937 -6.083 -4.623 1.00 1.00 H new ATOM 390 N LEU A 224 -1.999 -1.523 -1.317 1.00 1.00 N ATOM 391 CA LEU A 224 -0.949 -1.365 -0.269 1.00 1.00 C ATOM 392 C LEU A 224 -1.148 -2.423 0.820 1.00 1.00 C ATOM 393 O LEU A 224 -2.114 -3.159 0.809 1.00 1.00 O ATOM 394 CB LEU A 224 -1.136 0.043 0.298 1.00 1.00 C ATOM 395 CG LEU A 224 0.127 0.864 0.035 1.00 1.00 C ATOM 396 CD1 LEU A 224 0.314 1.042 -1.471 1.00 1.00 C ATOM 397 CD2 LEU A 224 -0.010 2.235 0.697 1.00 1.00 C ATOM 0 H LEU A 224 -2.571 -0.697 -1.495 1.00 1.00 H new ATOM 0 HA LEU A 224 0.057 -1.495 -0.668 1.00 1.00 H new ATOM 0 HB2 LEU A 224 -1.999 0.523 -0.165 1.00 1.00 H new ATOM 0 HB3 LEU A 224 -1.335 -0.007 1.368 1.00 1.00 H new ATOM 0 HG LEU A 224 0.991 0.345 0.450 1.00 1.00 H new ATOM 0 HD11 LEU A 224 1.214 1.627 -1.659 1.00 1.00 H new ATOM 0 HD12 LEU A 224 0.411 0.065 -1.944 1.00 1.00 H new ATOM 0 HD13 LEU A 224 -0.550 1.561 -1.886 1.00 1.00 H new ATOM 0 HD21 LEU A 224 0.890 2.821 0.510 1.00 1.00 H new ATOM 0 HD22 LEU A 224 -0.874 2.755 0.282 1.00 1.00 H new ATOM 0 HD23 LEU A 224 -0.144 2.109 1.771 1.00 1.00 H new ATOM 409 N CYS A 225 -0.241 -2.521 1.756 1.00 1.00 N ATOM 410 CA CYS A 225 -0.396 -3.550 2.823 1.00 1.00 C ATOM 411 C CYS A 225 -1.044 -2.949 4.081 1.00 1.00 C ATOM 412 O CYS A 225 -1.920 -3.551 4.667 1.00 1.00 O ATOM 413 CB CYS A 225 1.024 -4.054 3.116 1.00 1.00 C ATOM 414 SG CYS A 225 2.070 -2.691 3.684 1.00 1.00 S ATOM 0 H CYS A 225 0.593 -1.938 1.827 1.00 1.00 H new ATOM 0 HA CYS A 225 -1.051 -4.362 2.507 1.00 1.00 H new ATOM 0 HB2 CYS A 225 0.990 -4.836 3.875 1.00 1.00 H new ATOM 0 HB3 CYS A 225 1.452 -4.500 2.218 1.00 1.00 H new ATOM 0 HG CYS A 225 3.250 -2.797 3.149 1.00 1.00 H new ATOM 419 N ASN A 226 -0.634 -1.775 4.493 1.00 1.00 N ATOM 420 CA ASN A 226 -1.240 -1.149 5.712 1.00 1.00 C ATOM 421 C ASN A 226 -0.441 0.093 6.119 1.00 1.00 C ATOM 422 O ASN A 226 -0.966 1.185 6.193 1.00 1.00 O ATOM 423 CB ASN A 226 -1.149 -2.220 6.809 1.00 1.00 C ATOM 424 CG ASN A 226 -1.467 -1.600 8.173 1.00 1.00 C ATOM 425 OD1 ASN A 226 -0.929 -0.572 8.532 1.00 1.00 O ATOM 426 ND2 ASN A 226 -2.326 -2.196 8.957 1.00 1.00 N ATOM 0 H ASN A 226 0.093 -1.222 4.039 1.00 1.00 H new ATOM 0 HA ASN A 226 -2.268 -0.831 5.538 1.00 1.00 H new ATOM 0 HB2 ASN A 226 -1.847 -3.030 6.597 1.00 1.00 H new ATOM 0 HB3 ASN A 226 -0.150 -2.655 6.822 1.00 1.00 H new ATOM 0 HD21 ASN A 226 -2.545 -1.798 9.870 1.00 1.00 H new ATOM 0 HD22 ASN A 226 -2.778 -3.059 8.656 1.00 1.00 H new ATOM 433 N ALA A 227 0.824 -0.072 6.396 1.00 1.00 N ATOM 434 CA ALA A 227 1.658 1.095 6.813 1.00 1.00 C ATOM 435 C ALA A 227 2.057 1.940 5.602 1.00 1.00 C ATOM 436 O ALA A 227 2.219 3.140 5.698 1.00 1.00 O ATOM 437 CB ALA A 227 2.897 0.478 7.465 1.00 1.00 C ATOM 0 H ALA A 227 1.317 -0.964 6.352 1.00 1.00 H new ATOM 0 HA ALA A 227 1.120 1.759 7.490 1.00 1.00 H new ATOM 0 HB1 ALA A 227 3.565 1.271 7.801 1.00 1.00 H new ATOM 0 HB2 ALA A 227 2.595 -0.128 8.319 1.00 1.00 H new ATOM 0 HB3 ALA A 227 3.415 -0.150 6.740 1.00 1.00 H new ATOM 443 N CYS A 228 2.221 1.328 4.463 1.00 1.00 N ATOM 444 CA CYS A 228 2.615 2.105 3.253 1.00 1.00 C ATOM 445 C CYS A 228 1.601 3.220 2.982 1.00 1.00 C ATOM 446 O CYS A 228 1.906 4.210 2.348 1.00 1.00 O ATOM 447 CB CYS A 228 2.614 1.095 2.114 1.00 1.00 C ATOM 448 SG CYS A 228 4.112 0.078 2.205 1.00 1.00 S ATOM 0 H CYS A 228 2.100 0.326 4.317 1.00 1.00 H new ATOM 0 HA CYS A 228 3.587 2.584 3.372 1.00 1.00 H new ATOM 0 HB2 CYS A 228 1.728 0.463 2.175 1.00 1.00 H new ATOM 0 HB3 CYS A 228 2.571 1.612 1.155 1.00 1.00 H new ATOM 0 HG CYS A 228 3.949 -0.999 1.496 1.00 1.00 H new ATOM 453 N GLY A 229 0.395 3.064 3.458 1.00 1.00 N ATOM 454 CA GLY A 229 -0.639 4.111 3.225 1.00 1.00 C ATOM 455 C GLY A 229 -0.593 5.138 4.359 1.00 1.00 C ATOM 456 O GLY A 229 -1.074 6.246 4.227 1.00 1.00 O ATOM 0 H GLY A 229 0.082 2.257 3.998 1.00 1.00 H new ATOM 0 HA2 GLY A 229 -0.464 4.603 2.268 1.00 1.00 H new ATOM 0 HA3 GLY A 229 -1.628 3.655 3.173 1.00 1.00 H new ATOM 460 N LEU A 230 -0.019 4.778 5.474 1.00 1.00 N ATOM 461 CA LEU A 230 0.059 5.733 6.617 1.00 1.00 C ATOM 462 C LEU A 230 0.475 7.122 6.130 1.00 1.00 C ATOM 463 O LEU A 230 -0.042 8.128 6.576 1.00 1.00 O ATOM 464 CB LEU A 230 1.125 5.155 7.541 1.00 1.00 C ATOM 465 CG LEU A 230 0.732 5.402 9.000 1.00 1.00 C ATOM 466 CD1 LEU A 230 0.740 6.905 9.284 1.00 1.00 C ATOM 467 CD2 LEU A 230 -0.669 4.842 9.254 1.00 1.00 C ATOM 0 H LEU A 230 0.400 3.864 5.644 1.00 1.00 H new ATOM 0 HA LEU A 230 -0.902 5.849 7.118 1.00 1.00 H new ATOM 0 HB2 LEU A 230 1.236 4.086 7.360 1.00 1.00 H new ATOM 0 HB3 LEU A 230 2.090 5.616 7.331 1.00 1.00 H new ATOM 0 HG LEU A 230 1.446 4.905 9.657 1.00 1.00 H new ATOM 0 HD11 LEU A 230 0.460 7.081 10.323 1.00 1.00 H new ATOM 0 HD12 LEU A 230 1.738 7.304 9.105 1.00 1.00 H new ATOM 0 HD13 LEU A 230 0.027 7.403 8.627 1.00 1.00 H new ATOM 0 HD21 LEU A 230 -0.948 5.018 10.293 1.00 1.00 H new ATOM 0 HD22 LEU A 230 -1.384 5.338 8.597 1.00 1.00 H new ATOM 0 HD23 LEU A 230 -0.674 3.771 9.053 1.00 1.00 H new ATOM 479 N TYR A 231 1.411 7.188 5.224 1.00 1.00 N ATOM 480 CA TYR A 231 1.868 8.512 4.713 1.00 1.00 C ATOM 481 C TYR A 231 0.825 9.113 3.763 1.00 1.00 C ATOM 482 O TYR A 231 0.677 10.315 3.670 1.00 1.00 O ATOM 483 CB TYR A 231 3.165 8.214 3.963 1.00 1.00 C ATOM 484 CG TYR A 231 3.996 9.471 3.862 1.00 1.00 C ATOM 485 CD1 TYR A 231 4.888 9.806 4.888 1.00 1.00 C ATOM 486 CD2 TYR A 231 3.877 10.300 2.740 1.00 1.00 C ATOM 487 CE1 TYR A 231 5.661 10.969 4.792 1.00 1.00 C ATOM 488 CE2 TYR A 231 4.650 11.464 2.644 1.00 1.00 C ATOM 489 CZ TYR A 231 5.541 11.798 3.670 1.00 1.00 C ATOM 490 OH TYR A 231 6.304 12.944 3.575 1.00 1.00 O ATOM 0 H TYR A 231 1.880 6.380 4.814 1.00 1.00 H new ATOM 0 HA TYR A 231 2.012 9.235 5.516 1.00 1.00 H new ATOM 0 HB2 TYR A 231 3.726 7.437 4.482 1.00 1.00 H new ATOM 0 HB3 TYR A 231 2.941 7.834 2.966 1.00 1.00 H new ATOM 0 HD1 TYR A 231 4.980 9.167 5.754 1.00 1.00 H new ATOM 0 HD2 TYR A 231 3.189 10.042 1.948 1.00 1.00 H new ATOM 0 HE1 TYR A 231 6.350 11.227 5.583 1.00 1.00 H new ATOM 0 HE2 TYR A 231 4.558 12.103 1.779 1.00 1.00 H new ATOM 0 HH TYR A 231 6.100 13.404 2.734 1.00 1.00 H new ATOM 500 N HIS A 232 0.112 8.287 3.050 1.00 1.00 N ATOM 501 CA HIS A 232 -0.907 8.808 2.099 1.00 1.00 C ATOM 502 C HIS A 232 -2.193 9.195 2.835 1.00 1.00 C ATOM 503 O HIS A 232 -2.836 10.172 2.505 1.00 1.00 O ATOM 504 CB HIS A 232 -1.171 7.653 1.133 1.00 1.00 C ATOM 505 CG HIS A 232 -1.850 8.181 -0.102 1.00 1.00 C ATOM 506 ND1 HIS A 232 -1.478 9.134 -1.017 1.00 1.00 N flip ATOM 507 CD2 HIS A 232 -3.083 7.712 -0.524 1.00 1.00 C flip ATOM 508 CE1 HIS A 232 -2.465 9.259 -1.991 1.00 1.00 C flip ATOM 509 NE2 HIS A 232 -3.408 8.378 -1.646 1.00 1.00 N flip ATOM 0 H HIS A 232 0.192 7.271 3.085 1.00 1.00 H new ATOM 0 HA HIS A 232 -0.562 9.706 1.586 1.00 1.00 H new ATOM 0 HB2 HIS A 232 -0.233 7.166 0.866 1.00 1.00 H new ATOM 0 HB3 HIS A 232 -1.797 6.900 1.612 1.00 1.00 H new ATOM 0 HD1 HIS A 232 -0.610 9.669 -0.988 1.00 1.00 H new ATOM 0 HD2 HIS A 232 -3.676 6.950 -0.040 1.00 1.00 H new ATOM 0 HE1 HIS A 232 -2.468 9.924 -2.842 1.00 1.00 H new ATOM 517 N LYS A 233 -2.577 8.436 3.822 1.00 1.00 N ATOM 518 CA LYS A 233 -3.828 8.761 4.567 1.00 1.00 C ATOM 519 C LYS A 233 -3.591 9.923 5.537 1.00 1.00 C ATOM 520 O LYS A 233 -4.519 10.570 5.979 1.00 1.00 O ATOM 521 CB LYS A 233 -4.179 7.482 5.331 1.00 1.00 C ATOM 522 CG LYS A 233 -3.237 7.321 6.525 1.00 1.00 C ATOM 523 CD LYS A 233 -3.969 7.716 7.809 1.00 1.00 C ATOM 524 CE LYS A 233 -5.256 6.897 7.937 1.00 1.00 C ATOM 525 NZ LYS A 233 -5.039 6.027 9.127 1.00 1.00 N ATOM 0 H LYS A 233 -2.081 7.606 4.146 1.00 1.00 H new ATOM 0 HA LYS A 233 -4.633 9.072 3.900 1.00 1.00 H new ATOM 0 HB2 LYS A 233 -5.213 7.524 5.674 1.00 1.00 H new ATOM 0 HB3 LYS A 233 -4.097 6.618 4.671 1.00 1.00 H new ATOM 0 HG2 LYS A 233 -2.892 6.289 6.593 1.00 1.00 H new ATOM 0 HG3 LYS A 233 -2.353 7.945 6.391 1.00 1.00 H new ATOM 0 HD2 LYS A 233 -3.328 7.543 8.673 1.00 1.00 H new ATOM 0 HD3 LYS A 233 -4.203 8.780 7.794 1.00 1.00 H new ATOM 0 HE2 LYS A 233 -6.124 7.543 8.072 1.00 1.00 H new ATOM 0 HE3 LYS A 233 -5.437 6.303 7.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 233 -5.879 5.434 9.281 1.00 1.00 H new ATOM 0 HZ2 LYS A 233 -4.211 5.419 8.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 233 -4.876 6.620 9.966 1.00 1.00 H new ATOM 539 N MET A 234 -2.359 10.195 5.868 1.00 1.00 N ATOM 540 CA MET A 234 -2.071 11.318 6.805 1.00 1.00 C ATOM 541 C MET A 234 -1.523 12.520 6.035 1.00 1.00 C ATOM 542 O MET A 234 -2.170 13.539 5.909 1.00 1.00 O ATOM 543 CB MET A 234 -1.022 10.770 7.773 1.00 1.00 C ATOM 544 CG MET A 234 -1.719 10.014 8.905 1.00 1.00 C ATOM 545 SD MET A 234 -1.287 10.772 10.491 1.00 1.00 S ATOM 546 CE MET A 234 0.296 9.928 10.724 1.00 1.00 C ATOM 0 H MET A 234 -1.540 9.689 5.531 1.00 1.00 H new ATOM 0 HA MET A 234 -2.964 11.660 7.328 1.00 1.00 H new ATOM 0 HB2 MET A 234 -0.337 10.106 7.246 1.00 1.00 H new ATOM 0 HB3 MET A 234 -0.425 11.586 8.180 1.00 1.00 H new ATOM 0 HG2 MET A 234 -2.799 10.037 8.761 1.00 1.00 H new ATOM 0 HG3 MET A 234 -1.418 8.966 8.896 1.00 1.00 H new ATOM 0 HE1 MET A 234 0.992 10.595 11.233 1.00 1.00 H new ATOM 0 HE2 MET A 234 0.146 9.032 11.327 1.00 1.00 H new ATOM 0 HE3 MET A 234 0.705 9.648 9.753 1.00 1.00 H new ATOM 556 N ASN A 235 -0.332 12.404 5.520 1.00 1.00 N ATOM 557 CA ASN A 235 0.266 13.535 4.754 1.00 1.00 C ATOM 558 C ASN A 235 -0.466 13.719 3.424 1.00 1.00 C ATOM 559 O ASN A 235 -0.511 14.799 2.870 1.00 1.00 O ATOM 560 CB ASN A 235 1.717 13.124 4.511 1.00 1.00 C ATOM 561 CG ASN A 235 2.593 13.625 5.661 1.00 1.00 C ATOM 562 OD1 ASN A 235 3.343 14.568 5.501 1.00 1.00 O ATOM 563 ND2 ASN A 235 2.528 13.031 6.821 1.00 1.00 N ATOM 0 H ASN A 235 0.256 11.574 5.596 1.00 1.00 H new ATOM 0 HA ASN A 235 0.193 14.481 5.291 1.00 1.00 H new ATOM 0 HB2 ASN A 235 1.790 12.039 4.431 1.00 1.00 H new ATOM 0 HB3 ASN A 235 2.069 13.537 3.566 1.00 1.00 H new ATOM 0 HD21 ASN A 235 3.107 13.358 7.595 1.00 1.00 H new ATOM 0 HD22 ASN A 235 1.898 12.240 6.954 1.00 1.00 H new ATOM 570 N GLY A 236 -1.038 12.669 2.905 1.00 1.00 N ATOM 571 CA GLY A 236 -1.765 12.775 1.615 1.00 1.00 C ATOM 572 C GLY A 236 -0.814 12.441 0.464 1.00 1.00 C ATOM 573 O GLY A 236 -1.225 11.965 -0.575 1.00 1.00 O ATOM 0 H GLY A 236 -1.032 11.739 3.323 1.00 1.00 H new ATOM 0 HA2 GLY A 236 -2.615 12.093 1.608 1.00 1.00 H new ATOM 0 HA3 GLY A 236 -2.163 13.782 1.491 1.00 1.00 H new ATOM 577 N GLN A 237 0.457 12.686 0.641 1.00 1.00 N ATOM 578 CA GLN A 237 1.432 12.378 -0.443 1.00 1.00 C ATOM 579 C GLN A 237 1.753 10.883 -0.453 1.00 1.00 C ATOM 580 O GLN A 237 1.172 10.109 0.280 1.00 1.00 O ATOM 581 CB GLN A 237 2.680 13.191 -0.101 1.00 1.00 C ATOM 582 CG GLN A 237 2.370 14.684 -0.223 1.00 1.00 C ATOM 583 CD GLN A 237 3.390 15.342 -1.155 1.00 1.00 C ATOM 584 OE1 GLN A 237 3.044 15.791 -2.230 1.00 1.00 O ATOM 585 NE2 GLN A 237 4.639 15.420 -0.787 1.00 1.00 N ATOM 0 H GLN A 237 0.861 13.085 1.488 1.00 1.00 H new ATOM 0 HA GLN A 237 1.043 12.628 -1.430 1.00 1.00 H new ATOM 0 HB2 GLN A 237 3.011 12.960 0.912 1.00 1.00 H new ATOM 0 HB3 GLN A 237 3.496 12.923 -0.772 1.00 1.00 H new ATOM 0 HG2 GLN A 237 1.362 14.826 -0.611 1.00 1.00 H new ATOM 0 HG3 GLN A 237 2.403 15.155 0.760 1.00 1.00 H new ATOM 0 HE21 GLN A 237 4.929 15.043 0.115 1.00 1.00 H new ATOM 0 HE22 GLN A 237 5.325 15.858 -1.402 1.00 1.00 H new ATOM 594 N ASN A 238 2.673 10.468 -1.281 1.00 1.00 N ATOM 595 CA ASN A 238 3.030 9.025 -1.338 1.00 1.00 C ATOM 596 C ASN A 238 4.226 8.733 -0.428 1.00 1.00 C ATOM 597 O ASN A 238 4.889 9.633 0.050 1.00 1.00 O ATOM 598 CB ASN A 238 3.394 8.771 -2.800 1.00 1.00 C ATOM 599 CG ASN A 238 2.123 8.789 -3.652 1.00 1.00 C ATOM 600 OD1 ASN A 238 1.375 9.746 -3.627 1.00 1.00 O ATOM 601 ND2 ASN A 238 1.846 7.763 -4.409 1.00 1.00 N ATOM 0 H ASN A 238 3.193 11.069 -1.921 1.00 1.00 H new ATOM 0 HA ASN A 238 2.216 8.385 -0.999 1.00 1.00 H new ATOM 0 HB2 ASN A 238 4.090 9.533 -3.150 1.00 1.00 H new ATOM 0 HB3 ASN A 238 3.897 7.809 -2.899 1.00 1.00 H new ATOM 0 HD21 ASN A 238 1.001 7.764 -4.980 1.00 1.00 H new ATOM 0 HD22 ASN A 238 2.474 6.960 -4.430 1.00 1.00 H new ATOM 608 N ARG A 239 4.507 7.482 -0.186 1.00 1.00 N ATOM 609 CA ARG A 239 5.661 7.130 0.692 1.00 1.00 C ATOM 610 C ARG A 239 6.672 6.281 -0.085 1.00 1.00 C ATOM 611 O ARG A 239 6.416 5.133 -0.387 1.00 1.00 O ATOM 612 CB ARG A 239 5.050 6.326 1.842 1.00 1.00 C ATOM 613 CG ARG A 239 6.150 5.540 2.561 1.00 1.00 C ATOM 614 CD ARG A 239 5.717 5.252 4.001 1.00 1.00 C ATOM 615 NE ARG A 239 6.499 4.049 4.401 1.00 1.00 N ATOM 616 CZ ARG A 239 7.365 4.128 5.376 1.00 1.00 C ATOM 617 NH1 ARG A 239 8.576 4.552 5.140 1.00 1.00 N ATOM 618 NH2 ARG A 239 7.019 3.780 6.585 1.00 1.00 N ATOM 0 H ARG A 239 3.987 6.687 -0.558 1.00 1.00 H new ATOM 0 HA ARG A 239 6.195 8.010 1.051 1.00 1.00 H new ATOM 0 HB2 ARG A 239 4.551 6.996 2.542 1.00 1.00 H new ATOM 0 HB3 ARG A 239 4.292 5.643 1.459 1.00 1.00 H new ATOM 0 HG2 ARG A 239 6.346 4.605 2.036 1.00 1.00 H new ATOM 0 HG3 ARG A 239 7.080 6.109 2.557 1.00 1.00 H new ATOM 0 HD2 ARG A 239 5.930 6.098 4.655 1.00 1.00 H new ATOM 0 HD3 ARG A 239 4.645 5.065 4.062 1.00 1.00 H new ATOM 0 HE ARG A 239 6.358 3.164 3.914 1.00 1.00 H new ATOM 0 HH11 ARG A 239 8.847 4.822 4.194 1.00 1.00 H new ATOM 0 HH12 ARG A 239 9.252 4.614 5.901 1.00 1.00 H new ATOM 0 HH21 ARG A 239 6.073 3.446 6.769 1.00 1.00 H new ATOM 0 HH22 ARG A 239 7.695 3.841 7.347 1.00 1.00 H new