USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 646 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 HIS :FLIP no HE2:sc= 0.00784 F(o=-0.74,f=0.0078) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= 0.142 (180deg=0.00168) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0.33 (180deg=0.322) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 170:sc= 0.0479 USER MOD Single : A 31 GLN :FLIP amide:sc=-0.00064 F(o=-2.1,f=-0.00064) USER MOD Single : A 37 SER OG : rot -22:sc= 0.249 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.06 K(o=-1.1,f=-1.9!) USER MOD Single : A 55 THR OG1 : rot -34:sc= 0.959 USER MOD Single : A 57 THR OG1 : rot 180:sc=0.000422 USER MOD Single : A 62 SER OG : rot -2:sc= 0.95 USER MOD Single : A 66 TYR OH : rot 180:sc=-0.000893 USER MOD Single : A 67 THR OG1 : rot -52:sc= 0.507 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.153 F(o=-2.4!,f=-0.15) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -19.5! C(o=-22!,f=-19!) USER MOD Single : A 79 THR OG1 : rot 74:sc= 0.647 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.661 -0.484 -0.378 1.00 0.00 N ATOM 100 CA GLY A 10 14.308 -0.488 0.921 1.00 0.00 C ATOM 101 C GLY A 10 14.099 0.810 1.677 1.00 0.00 C ATOM 102 O GLY A 10 13.780 0.800 2.866 1.00 0.00 O ATOM 0 HA2 GLY A 10 13.921 -1.317 1.514 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.376 -0.661 0.791 1.00 0.00 H new ATOM 106 N LEU A 11 14.282 1.930 0.986 1.00 0.00 N ATOM 107 CA LEU A 11 14.113 3.243 1.600 1.00 0.00 C ATOM 108 C LEU A 11 12.661 3.471 2.007 1.00 0.00 C ATOM 109 O LEU A 11 12.345 4.437 2.704 1.00 0.00 O ATOM 110 CB LEU A 11 14.563 4.340 0.634 1.00 0.00 C ATOM 111 CG LEU A 11 13.623 4.631 -0.536 1.00 0.00 C ATOM 112 CD1 LEU A 11 13.278 3.347 -1.276 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.358 5.322 -0.046 1.00 0.00 C ATOM 0 H LEU A 11 14.547 1.956 0.001 1.00 0.00 H new ATOM 0 HA LEU A 11 14.732 3.281 2.497 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.701 5.261 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.538 4.064 0.231 1.00 0.00 H new ATOM 0 HG LEU A 11 14.133 5.300 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.608 3.574 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.191 2.892 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.788 2.654 -0.593 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.701 5.521 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.845 4.678 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.621 6.262 0.438 1.00 0.00 H new ATOM 125 N LEU A 12 11.782 2.576 1.571 1.00 0.00 N ATOM 126 CA LEU A 12 10.363 2.678 1.892 1.00 0.00 C ATOM 127 C LEU A 12 10.155 2.847 3.394 1.00 0.00 C ATOM 128 O LEU A 12 9.506 3.794 3.839 1.00 0.00 O ATOM 129 CB LEU A 12 9.617 1.437 1.399 1.00 0.00 C ATOM 130 CG LEU A 12 9.401 1.340 -0.112 1.00 0.00 C ATOM 131 CD1 LEU A 12 9.115 -0.097 -0.519 1.00 0.00 C ATOM 132 CD2 LEU A 12 8.266 2.256 -0.548 1.00 0.00 C ATOM 0 H LEU A 12 12.027 1.771 0.994 1.00 0.00 H new ATOM 0 HA LEU A 12 9.964 3.558 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.167 0.554 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.643 1.405 1.888 1.00 0.00 H new ATOM 0 HG LEU A 12 10.314 1.663 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.964 -0.147 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.959 -0.729 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.217 -0.447 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.126 2.174 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.347 1.964 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.511 3.287 -0.291 1.00 0.00 H new ATOM 144 N VAL A 13 10.712 1.923 4.171 1.00 0.00 N ATOM 145 CA VAL A 13 10.591 1.971 5.623 1.00 0.00 C ATOM 146 C VAL A 13 11.190 3.257 6.182 1.00 0.00 C ATOM 147 O VAL A 13 10.595 3.910 7.040 1.00 0.00 O ATOM 148 CB VAL A 13 11.284 0.765 6.284 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.624 -0.535 5.849 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.768 0.756 5.952 1.00 0.00 C ATOM 0 H VAL A 13 11.251 1.132 3.819 1.00 0.00 H new ATOM 0 HA VAL A 13 9.526 1.940 5.853 1.00 0.00 H new ATOM 0 HB VAL A 13 11.177 0.854 7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.127 -1.376 6.326 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.574 -0.526 6.143 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.697 -0.636 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.242 -0.103 6.427 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.899 0.691 4.872 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.228 1.673 6.319 1.00 0.00 H new ATOM 160 N HIS A 14 12.372 3.615 5.690 1.00 0.00 N ATOM 161 CA HIS A 14 13.052 4.825 6.140 1.00 0.00 C ATOM 162 C HIS A 14 12.141 6.041 6.009 1.00 0.00 C ATOM 163 O HIS A 14 12.086 6.889 6.900 1.00 0.00 O ATOM 164 CB HIS A 14 14.334 5.044 5.336 1.00 0.00 C ATOM 165 CG HIS A 14 15.356 3.966 5.533 1.00 0.00 C ATOM 166 ND1 HIS A 14 15.410 2.700 5.057 1.00 0.00 N flip ATOM 167 CD2 HIS A 14 16.488 4.134 6.302 1.00 0.00 C flip ATOM 168 CE1 HIS A 14 16.563 2.133 5.540 1.00 0.00 C flip ATOM 169 NE2 HIS A 14 17.196 3.019 6.288 1.00 0.00 N flip ATOM 0 H HIS A 14 12.878 3.085 4.981 1.00 0.00 H new ATOM 0 HA HIS A 14 13.309 4.698 7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.083 5.106 4.277 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.770 6.003 5.617 1.00 0.00 H new ATOM 0 HD1 HIS A 14 14.722 2.251 4.452 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.754 5.036 6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.898 1.126 5.341 1.00 0.00 H new ATOM 178 N LYS A 15 11.427 6.122 4.891 1.00 0.00 N ATOM 179 CA LYS A 15 10.518 7.234 4.642 1.00 0.00 C ATOM 180 C LYS A 15 9.103 6.892 5.097 1.00 0.00 C ATOM 181 O LYS A 15 8.608 5.794 4.845 1.00 0.00 O ATOM 182 CB LYS A 15 10.514 7.593 3.154 1.00 0.00 C ATOM 183 CG LYS A 15 9.537 8.700 2.798 1.00 0.00 C ATOM 184 CD LYS A 15 9.127 8.633 1.336 1.00 0.00 C ATOM 185 CE LYS A 15 8.236 9.805 0.953 1.00 0.00 C ATOM 186 NZ LYS A 15 8.233 10.042 -0.517 1.00 0.00 N ATOM 0 H LYS A 15 11.461 5.430 4.143 1.00 0.00 H new ATOM 0 HA LYS A 15 10.868 8.092 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.518 7.898 2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.268 6.703 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.652 8.622 3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.992 9.669 3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.017 8.631 0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.601 7.697 1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.218 9.613 1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.578 10.704 1.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.311 10.427 -0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.983 10.720 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.404 9.144 -1.014 1.00 0.00 H new ATOM 200 N ALA A 16 8.456 7.841 5.767 1.00 0.00 N ATOM 201 CA ALA A 16 7.097 7.641 6.253 1.00 0.00 C ATOM 202 C ALA A 16 6.150 7.292 5.110 1.00 0.00 C ATOM 203 O ALA A 16 6.308 7.778 3.990 1.00 0.00 O ATOM 204 CB ALA A 16 6.610 8.883 6.984 1.00 0.00 C ATOM 0 H ALA A 16 8.852 8.755 5.985 1.00 0.00 H new ATOM 0 HA ALA A 16 7.107 6.803 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.593 8.720 7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.265 9.086 7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.623 9.734 6.303 1.00 0.00 H new ATOM 210 N VAL A 17 5.166 6.446 5.399 1.00 0.00 N ATOM 211 CA VAL A 17 4.194 6.033 4.395 1.00 0.00 C ATOM 212 C VAL A 17 3.253 7.178 4.036 1.00 0.00 C ATOM 213 O VAL A 17 2.815 7.300 2.892 1.00 0.00 O ATOM 214 CB VAL A 17 3.360 4.832 4.881 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.313 4.454 3.845 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.264 3.649 5.194 1.00 0.00 C ATOM 0 H VAL A 17 5.021 6.034 6.321 1.00 0.00 H new ATOM 0 HA VAL A 17 4.759 5.740 3.510 1.00 0.00 H new ATOM 0 HB VAL A 17 2.843 5.118 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.734 3.604 4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.647 5.300 3.675 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.806 4.186 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.659 2.809 5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.810 3.361 4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.971 3.928 5.975 1.00 0.00 H new ATOM 226 N ASP A 18 2.948 8.016 5.021 1.00 0.00 N ATOM 227 CA ASP A 18 2.060 9.153 4.809 1.00 0.00 C ATOM 228 C ASP A 18 2.718 10.196 3.910 1.00 0.00 C ATOM 229 O ASP A 18 2.113 11.215 3.577 1.00 0.00 O ATOM 230 CB ASP A 18 1.678 9.786 6.149 1.00 0.00 C ATOM 231 CG ASP A 18 2.669 10.844 6.593 1.00 0.00 C ATOM 232 OD1 ASP A 18 3.794 10.475 6.987 1.00 0.00 O ATOM 233 OD2 ASP A 18 2.318 12.042 6.546 1.00 0.00 O ATOM 0 H ASP A 18 3.302 7.929 5.973 1.00 0.00 H new ATOM 0 HA ASP A 18 1.158 8.791 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.687 10.232 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.616 9.008 6.910 1.00 0.00 H new ATOM 238 N LYS A 19 3.961 9.934 3.520 1.00 0.00 N ATOM 239 CA LYS A 19 4.702 10.848 2.659 1.00 0.00 C ATOM 240 C LYS A 19 4.963 10.218 1.294 1.00 0.00 C ATOM 241 O LYS A 19 5.529 10.855 0.405 1.00 0.00 O ATOM 242 CB LYS A 19 6.028 11.237 3.315 1.00 0.00 C ATOM 243 CG LYS A 19 5.936 12.480 4.183 1.00 0.00 C ATOM 244 CD LYS A 19 5.128 12.222 5.444 1.00 0.00 C ATOM 245 CE LYS A 19 5.194 13.403 6.400 1.00 0.00 C ATOM 246 NZ LYS A 19 4.107 14.387 6.141 1.00 0.00 N ATOM 0 H LYS A 19 4.477 9.095 3.787 1.00 0.00 H new ATOM 0 HA LYS A 19 4.098 11.744 2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.381 10.404 3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.774 11.402 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.939 12.811 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.476 13.289 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.089 12.026 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.504 11.328 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.122 13.044 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.161 13.896 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.145 15.142 6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.230 14.799 5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.185 13.908 6.193 1.00 0.00 H new ATOM 260 N TRP A 20 4.546 8.968 1.135 1.00 0.00 N ATOM 261 CA TRP A 20 4.734 8.253 -0.122 1.00 0.00 C ATOM 262 C TRP A 20 3.904 8.883 -1.235 1.00 0.00 C ATOM 263 O TRP A 20 3.103 9.786 -0.992 1.00 0.00 O ATOM 264 CB TRP A 20 4.356 6.781 0.042 1.00 0.00 C ATOM 265 CG TRP A 20 5.264 6.034 0.972 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.254 6.563 1.750 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.266 4.624 1.219 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.872 5.566 2.466 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.284 4.368 2.159 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.507 3.553 0.740 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.560 3.085 2.626 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.782 2.281 1.204 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.800 2.056 2.139 1.00 0.00 C ATOM 0 H TRP A 20 4.075 8.428 1.861 1.00 0.00 H new ATOM 0 HA TRP A 20 5.787 8.321 -0.396 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.333 6.715 0.414 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.372 6.298 -0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.513 7.610 1.796 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.644 5.697 3.120 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.719 3.717 0.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.345 2.909 3.346 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 4.202 1.446 0.839 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.989 1.050 2.483 1.00 0.00 H new ATOM 284 N THR A 21 4.099 8.401 -2.459 1.00 0.00 N ATOM 285 CA THR A 21 3.369 8.918 -3.609 1.00 0.00 C ATOM 286 C THR A 21 2.693 7.791 -4.383 1.00 0.00 C ATOM 287 O THR A 21 3.083 6.628 -4.274 1.00 0.00 O ATOM 288 CB THR A 21 4.297 9.695 -4.562 1.00 0.00 C ATOM 289 OG1 THR A 21 5.459 8.912 -4.859 1.00 0.00 O ATOM 290 CG2 THR A 21 4.717 11.021 -3.946 1.00 0.00 C ATOM 0 H THR A 21 4.757 7.653 -2.679 1.00 0.00 H new ATOM 0 HA THR A 21 2.609 9.596 -3.221 1.00 0.00 H new ATOM 0 HB THR A 21 3.750 9.897 -5.483 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.044 9.412 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.372 11.552 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.832 11.626 -3.747 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.248 10.836 -3.012 1.00 0.00 H new ATOM 298 N THR A 22 1.678 8.143 -5.166 1.00 0.00 N ATOM 299 CA THR A 22 0.948 7.161 -5.958 1.00 0.00 C ATOM 300 C THR A 22 1.894 6.130 -6.563 1.00 0.00 C ATOM 301 O THR A 22 1.493 5.005 -6.858 1.00 0.00 O ATOM 302 CB THR A 22 0.149 7.834 -7.090 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.364 9.095 -6.644 1.00 0.00 O ATOM 304 CG2 THR A 22 -0.998 6.946 -7.545 1.00 0.00 C ATOM 0 H THR A 22 1.343 9.101 -5.269 1.00 0.00 H new ATOM 0 HA THR A 22 0.255 6.661 -5.281 1.00 0.00 H new ATOM 0 HB THR A 22 0.820 7.993 -7.934 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.730 9.588 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.547 7.443 -8.345 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.602 5.999 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.668 6.759 -6.706 1.00 0.00 H new ATOM 312 N GLU A 23 3.151 6.521 -6.745 1.00 0.00 N ATOM 313 CA GLU A 23 4.154 5.629 -7.315 1.00 0.00 C ATOM 314 C GLU A 23 4.674 4.653 -6.264 1.00 0.00 C ATOM 315 O GLU A 23 4.573 3.438 -6.427 1.00 0.00 O ATOM 316 CB GLU A 23 5.316 6.437 -7.898 1.00 0.00 C ATOM 317 CG GLU A 23 6.023 5.742 -9.049 1.00 0.00 C ATOM 318 CD GLU A 23 7.139 6.582 -9.639 1.00 0.00 C ATOM 319 OE1 GLU A 23 8.266 6.532 -9.104 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.885 7.289 -10.637 1.00 0.00 O ATOM 0 H GLU A 23 3.499 7.449 -6.506 1.00 0.00 H new ATOM 0 HA GLU A 23 3.683 5.057 -8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.941 7.401 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.039 6.640 -7.108 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.432 4.794 -8.700 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.298 5.509 -9.828 1.00 0.00 H new ATOM 327 N GLU A 24 5.233 5.195 -5.187 1.00 0.00 N ATOM 328 CA GLU A 24 5.771 4.372 -4.110 1.00 0.00 C ATOM 329 C GLU A 24 4.684 3.487 -3.506 1.00 0.00 C ATOM 330 O GLU A 24 4.913 2.312 -3.219 1.00 0.00 O ATOM 331 CB GLU A 24 6.387 5.255 -3.023 1.00 0.00 C ATOM 332 CG GLU A 24 7.692 5.913 -3.439 1.00 0.00 C ATOM 333 CD GLU A 24 8.558 5.004 -4.289 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.664 3.804 -3.958 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.130 5.492 -5.286 1.00 0.00 O ATOM 0 H GLU A 24 5.325 6.200 -5.037 1.00 0.00 H new ATOM 0 HA GLU A 24 6.546 3.731 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.671 6.030 -2.747 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.562 4.651 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.474 6.825 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.246 6.208 -2.548 1.00 0.00 H new ATOM 342 N VAL A 25 3.500 4.061 -3.317 1.00 0.00 N ATOM 343 CA VAL A 25 2.377 3.325 -2.748 1.00 0.00 C ATOM 344 C VAL A 25 2.165 2.000 -3.472 1.00 0.00 C ATOM 345 O VAL A 25 2.086 0.943 -2.845 1.00 0.00 O ATOM 346 CB VAL A 25 1.076 4.147 -2.814 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.101 3.326 -2.311 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.219 5.435 -2.016 1.00 0.00 C ATOM 0 H VAL A 25 3.294 5.033 -3.549 1.00 0.00 H new ATOM 0 HA VAL A 25 2.623 3.130 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 25 0.885 4.410 -3.854 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.011 3.923 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.214 2.436 -2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.077 3.030 -1.277 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.291 6.004 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.434 5.196 -0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.035 6.029 -2.428 1.00 0.00 H new ATOM 358 N VAL A 26 2.073 2.064 -4.796 1.00 0.00 N ATOM 359 CA VAL A 26 1.872 0.869 -5.607 1.00 0.00 C ATOM 360 C VAL A 26 3.107 -0.025 -5.585 1.00 0.00 C ATOM 361 O VAL A 26 3.001 -1.251 -5.645 1.00 0.00 O ATOM 362 CB VAL A 26 1.540 1.230 -7.067 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.383 -0.029 -7.906 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.282 2.083 -7.131 1.00 0.00 C ATOM 0 H VAL A 26 2.134 2.931 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 26 1.029 0.331 -5.173 1.00 0.00 H new ATOM 0 HB VAL A 26 2.367 1.810 -7.477 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.149 0.246 -8.934 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.312 -0.598 -7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.575 -0.638 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.062 2.329 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.555 1.530 -6.704 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.436 3.002 -6.565 1.00 0.00 H new ATOM 374 N LEU A 27 4.278 0.596 -5.497 1.00 0.00 N ATOM 375 CA LEU A 27 5.535 -0.143 -5.466 1.00 0.00 C ATOM 376 C LEU A 27 5.602 -1.054 -4.244 1.00 0.00 C ATOM 377 O LEU A 27 5.831 -2.257 -4.366 1.00 0.00 O ATOM 378 CB LEU A 27 6.719 0.826 -5.460 1.00 0.00 C ATOM 379 CG LEU A 27 7.264 1.229 -6.830 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.421 2.205 -6.679 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.701 -0.001 -7.613 1.00 0.00 C ATOM 0 H LEU A 27 4.383 1.609 -5.446 1.00 0.00 H new ATOM 0 HA LEU A 27 5.585 -0.763 -6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.420 1.730 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.529 0.374 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 27 6.467 1.725 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.796 2.480 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.077 3.099 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.220 1.736 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.086 0.305 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.482 -0.525 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.848 -0.665 -7.753 1.00 0.00 H new ATOM 393 N TRP A 28 5.397 -0.472 -3.068 1.00 0.00 N ATOM 394 CA TRP A 28 5.432 -1.232 -1.824 1.00 0.00 C ATOM 395 C TRP A 28 4.437 -2.386 -1.863 1.00 0.00 C ATOM 396 O TRP A 28 4.733 -3.489 -1.400 1.00 0.00 O ATOM 397 CB TRP A 28 5.125 -0.318 -0.636 1.00 0.00 C ATOM 398 CG TRP A 28 4.688 -1.063 0.589 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.493 -1.663 1.514 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.341 -1.289 1.020 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.729 -2.248 2.495 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.405 -2.032 2.215 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.088 -0.933 0.515 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.264 -2.426 2.909 1.00 0.00 C ATOM 405 CZ3 TRP A 28 0.956 -1.325 1.204 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.050 -2.064 2.391 1.00 0.00 C ATOM 0 H TRP A 28 5.205 0.523 -2.950 1.00 0.00 H new ATOM 0 HA TRP A 28 6.434 -1.645 -1.707 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.013 0.268 -0.399 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.344 0.387 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.572 -1.676 1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.089 -2.760 3.301 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.005 -0.362 -0.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.334 -2.997 3.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.018 -1.057 0.821 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.147 -2.354 2.907 1.00 0.00 H new ATOM 417 N LEU A 29 3.258 -2.128 -2.418 1.00 0.00 N ATOM 418 CA LEU A 29 2.220 -3.147 -2.518 1.00 0.00 C ATOM 419 C LEU A 29 2.548 -4.153 -3.617 1.00 0.00 C ATOM 420 O LEU A 29 2.105 -5.300 -3.573 1.00 0.00 O ATOM 421 CB LEU A 29 0.864 -2.496 -2.795 1.00 0.00 C ATOM 422 CG LEU A 29 -0.251 -3.436 -3.257 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.870 -4.154 -2.069 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.312 -2.666 -4.030 1.00 0.00 C ATOM 0 H LEU A 29 2.997 -1.221 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 29 2.174 -3.678 -1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.533 -1.992 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.001 -1.727 -3.555 1.00 0.00 H new ATOM 0 HG LEU A 29 0.182 -4.184 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.661 -4.818 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.105 -4.738 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.289 -3.421 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.097 -3.351 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.742 -1.896 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.858 -2.199 -4.904 1.00 0.00 H new ATOM 436 N GLU A 30 3.327 -3.714 -4.601 1.00 0.00 N ATOM 437 CA GLU A 30 3.716 -4.577 -5.710 1.00 0.00 C ATOM 438 C GLU A 30 4.854 -5.508 -5.303 1.00 0.00 C ATOM 439 O GLU A 30 5.425 -6.208 -6.138 1.00 0.00 O ATOM 440 CB GLU A 30 4.137 -3.736 -6.916 1.00 0.00 C ATOM 441 CG GLU A 30 2.980 -3.345 -7.820 1.00 0.00 C ATOM 442 CD GLU A 30 3.442 -2.810 -9.162 1.00 0.00 C ATOM 443 OE1 GLU A 30 3.895 -1.647 -9.211 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.349 -3.553 -10.161 1.00 0.00 O ATOM 0 H GLU A 30 3.701 -2.766 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 30 2.853 -5.185 -5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.632 -2.832 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.870 -4.294 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.340 -4.213 -7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.374 -2.589 -7.321 1.00 0.00 H new ATOM 451 N GLN A 31 5.178 -5.508 -4.013 1.00 0.00 N ATOM 452 CA GLN A 31 6.249 -6.351 -3.495 1.00 0.00 C ATOM 453 C GLN A 31 5.690 -7.454 -2.602 1.00 0.00 C ATOM 454 O GLN A 31 6.266 -8.538 -2.501 1.00 0.00 O ATOM 455 CB GLN A 31 7.258 -5.508 -2.715 1.00 0.00 C ATOM 456 CG GLN A 31 8.237 -4.755 -3.601 1.00 0.00 C ATOM 457 CD GLN A 31 9.142 -3.828 -2.815 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.655 -2.626 -2.529 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.268 -4.187 -2.468 1.00 0.00 N flip ATOM 0 H GLN A 31 4.714 -4.934 -3.309 1.00 0.00 H new ATOM 0 HA GLN A 31 6.753 -6.816 -4.342 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.718 -4.793 -2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.817 -6.157 -2.041 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.847 -5.471 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.682 -4.175 -4.338 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.603 -5.120 -2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.866 -3.551 -1.940 1.00 0.00 H new ATOM 468 N LEU A 32 4.565 -7.170 -1.954 1.00 0.00 N ATOM 469 CA LEU A 32 3.928 -8.137 -1.068 1.00 0.00 C ATOM 470 C LEU A 32 3.555 -9.408 -1.826 1.00 0.00 C ATOM 471 O LEU A 32 3.453 -10.485 -1.241 1.00 0.00 O ATOM 472 CB LEU A 32 2.679 -7.527 -0.428 1.00 0.00 C ATOM 473 CG LEU A 32 2.775 -6.050 -0.047 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.546 -5.621 0.739 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.041 -5.786 0.755 1.00 0.00 C ATOM 0 H LEU A 32 4.076 -6.278 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 32 4.640 -8.398 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.844 -7.650 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.438 -8.098 0.469 1.00 0.00 H new ATOM 0 HG LEU A 32 2.820 -5.461 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.632 -4.567 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.654 -5.772 0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.470 -6.217 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.092 -4.729 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.027 -6.385 1.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.913 -6.054 0.158 1.00 0.00 H new ATOM 487 N GLY A 33 3.355 -9.273 -3.134 1.00 0.00 N ATOM 488 CA GLY A 33 2.998 -10.418 -3.951 1.00 0.00 C ATOM 489 C GLY A 33 2.668 -10.031 -5.379 1.00 0.00 C ATOM 490 O GLY A 33 2.447 -8.861 -5.692 1.00 0.00 O ATOM 0 H GLY A 33 3.434 -8.392 -3.642 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.823 -11.131 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.140 -10.924 -3.507 1.00 0.00 H new ATOM 494 N PRO A 34 2.632 -11.029 -6.274 1.00 0.00 N ATOM 495 CA PRO A 34 2.329 -10.811 -7.691 1.00 0.00 C ATOM 496 C PRO A 34 0.871 -10.424 -7.919 1.00 0.00 C ATOM 497 O PRO A 34 0.531 -9.826 -8.940 1.00 0.00 O ATOM 498 CB PRO A 34 2.628 -12.169 -8.331 1.00 0.00 C ATOM 499 CG PRO A 34 2.456 -13.154 -7.227 1.00 0.00 C ATOM 500 CD PRO A 34 2.886 -12.448 -5.971 1.00 0.00 C ATOM 0 HA PRO A 34 2.910 -9.990 -8.110 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.947 -12.376 -9.156 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.639 -12.201 -8.737 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.419 -13.482 -7.155 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.060 -14.044 -7.401 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.314 -12.783 -5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.937 -12.629 -5.748 1.00 0.00 H new ATOM 508 N TRP A 35 0.017 -10.768 -6.963 1.00 0.00 N ATOM 509 CA TRP A 35 -1.405 -10.456 -7.060 1.00 0.00 C ATOM 510 C TRP A 35 -1.647 -8.960 -6.888 1.00 0.00 C ATOM 511 O TRP A 35 -2.726 -8.457 -7.197 1.00 0.00 O ATOM 512 CB TRP A 35 -2.192 -11.236 -6.006 1.00 0.00 C ATOM 513 CG TRP A 35 -1.588 -11.163 -4.637 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.970 -12.174 -3.958 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.544 -10.017 -3.780 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.546 -11.726 -2.730 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.885 -10.406 -2.597 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.996 -8.700 -3.897 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.669 -9.524 -1.541 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.782 -7.826 -2.848 1.00 0.00 C ATOM 521 CH2 TRP A 35 -1.122 -8.241 -1.683 1.00 0.00 C ATOM 0 H TRP A 35 0.283 -11.263 -6.112 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.749 -10.749 -8.052 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.211 -10.852 -5.966 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.257 -12.280 -6.311 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.834 -13.178 -4.331 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.058 -12.286 -2.031 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.504 -8.371 -4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.162 -9.842 -0.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.129 -6.806 -2.927 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.968 -7.534 -0.881 1.00 0.00 H new ATOM 532 N ALA A 36 -0.635 -8.254 -6.394 1.00 0.00 N ATOM 533 CA ALA A 36 -0.737 -6.816 -6.184 1.00 0.00 C ATOM 534 C ALA A 36 -1.127 -6.099 -7.472 1.00 0.00 C ATOM 535 O ALA A 36 -1.734 -5.029 -7.439 1.00 0.00 O ATOM 536 CB ALA A 36 0.576 -6.265 -5.649 1.00 0.00 C ATOM 0 H ALA A 36 0.265 -8.656 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.520 -6.637 -5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.484 -5.190 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.813 -6.747 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.373 -6.464 -6.366 1.00 0.00 H new ATOM 542 N SER A 37 -0.774 -6.696 -8.606 1.00 0.00 N ATOM 543 CA SER A 37 -1.083 -6.112 -9.906 1.00 0.00 C ATOM 544 C SER A 37 -2.585 -6.143 -10.172 1.00 0.00 C ATOM 545 O SER A 37 -3.071 -5.539 -11.130 1.00 0.00 O ATOM 546 CB SER A 37 -0.343 -6.862 -11.015 1.00 0.00 C ATOM 547 OG SER A 37 -0.600 -6.283 -12.282 1.00 0.00 O ATOM 0 H SER A 37 -0.274 -7.584 -8.651 1.00 0.00 H new ATOM 0 HA SER A 37 -0.754 -5.073 -9.897 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.729 -6.847 -10.816 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.652 -7.907 -11.020 1.00 0.00 H new ATOM 0 HG SER A 37 -1.437 -5.774 -12.245 1.00 0.00 H new ATOM 553 N LEU A 38 -3.317 -6.850 -9.317 1.00 0.00 N ATOM 554 CA LEU A 38 -4.764 -6.960 -9.458 1.00 0.00 C ATOM 555 C LEU A 38 -5.462 -5.728 -8.892 1.00 0.00 C ATOM 556 O LEU A 38 -6.588 -5.408 -9.275 1.00 0.00 O ATOM 557 CB LEU A 38 -5.271 -8.218 -8.749 1.00 0.00 C ATOM 558 CG LEU A 38 -4.647 -9.539 -9.199 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.970 -10.647 -8.208 1.00 0.00 C ATOM 560 CD2 LEU A 38 -5.130 -9.911 -10.593 1.00 0.00 C ATOM 0 H LEU A 38 -2.932 -7.355 -8.519 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.996 -7.030 -10.521 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.097 -8.103 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.350 -8.282 -8.892 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.565 -9.414 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.518 -11.580 -8.545 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.573 -10.385 -7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.051 -10.771 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.675 -10.854 -10.896 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.215 -10.017 -10.586 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.847 -9.129 -11.297 1.00 0.00 H new ATOM 572 N TYR A 39 -4.786 -5.038 -7.980 1.00 0.00 N ATOM 573 CA TYR A 39 -5.341 -3.840 -7.361 1.00 0.00 C ATOM 574 C TYR A 39 -4.553 -2.600 -7.772 1.00 0.00 C ATOM 575 O TYR A 39 -5.122 -1.525 -7.962 1.00 0.00 O ATOM 576 CB TYR A 39 -5.336 -3.980 -5.838 1.00 0.00 C ATOM 577 CG TYR A 39 -6.004 -5.243 -5.343 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.287 -6.427 -5.218 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.351 -5.253 -5.002 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.893 -7.584 -4.767 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.964 -6.405 -4.550 1.00 0.00 C ATOM 582 CZ TYR A 39 -7.231 -7.568 -4.434 1.00 0.00 C ATOM 583 OH TYR A 39 -7.839 -8.718 -3.984 1.00 0.00 O ATOM 0 H TYR A 39 -3.853 -5.288 -7.653 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.369 -3.726 -7.706 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.305 -3.961 -5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.839 -3.118 -5.401 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.239 -6.443 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.928 -4.345 -5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.322 -8.496 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -9.012 -6.396 -4.289 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.783 -8.536 -3.792 1.00 0.00 H new ATOM 593 N ARG A 40 -3.240 -2.759 -7.907 1.00 0.00 N ATOM 594 CA ARG A 40 -2.373 -1.653 -8.295 1.00 0.00 C ATOM 595 C ARG A 40 -3.090 -0.712 -9.260 1.00 0.00 C ATOM 596 O ARG A 40 -3.027 0.508 -9.114 1.00 0.00 O ATOM 597 CB ARG A 40 -1.092 -2.183 -8.940 1.00 0.00 C ATOM 598 CG ARG A 40 -1.245 -2.516 -10.415 1.00 0.00 C ATOM 599 CD ARG A 40 0.079 -2.940 -11.031 1.00 0.00 C ATOM 600 NE ARG A 40 0.846 -1.797 -11.521 1.00 0.00 N ATOM 601 CZ ARG A 40 1.882 -1.906 -12.346 1.00 0.00 C ATOM 602 NH1 ARG A 40 2.272 -3.100 -12.771 1.00 0.00 N ATOM 603 NH2 ARG A 40 2.529 -0.820 -12.747 1.00 0.00 N ATOM 0 H ARG A 40 -2.754 -3.642 -7.753 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.114 -1.095 -7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.303 -1.440 -8.824 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.769 -3.077 -8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.976 -3.316 -10.535 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.633 -1.647 -10.947 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.667 -3.480 -10.289 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.108 -3.630 -11.854 1.00 0.00 H new ATOM 0 HE ARG A 40 0.571 -0.864 -11.213 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.776 -3.937 -12.465 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.067 -3.181 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.232 0.100 -12.422 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.324 -0.905 -13.380 1.00 0.00 H new ATOM 617 N ASP A 41 -3.768 -1.290 -10.245 1.00 0.00 N ATOM 618 CA ASP A 41 -4.497 -0.504 -11.234 1.00 0.00 C ATOM 619 C ASP A 41 -5.391 0.529 -10.556 1.00 0.00 C ATOM 620 O ASP A 41 -5.392 1.703 -10.927 1.00 0.00 O ATOM 621 CB ASP A 41 -5.339 -1.419 -12.125 1.00 0.00 C ATOM 622 CG ASP A 41 -4.490 -2.259 -13.058 1.00 0.00 C ATOM 623 OD1 ASP A 41 -3.626 -3.010 -12.560 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.688 -2.165 -14.288 1.00 0.00 O ATOM 0 H ASP A 41 -3.828 -2.299 -10.380 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.769 0.022 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.943 -2.075 -11.499 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.030 -0.814 -12.713 1.00 0.00 H new ATOM 629 N ARG A 42 -6.152 0.084 -9.561 1.00 0.00 N ATOM 630 CA ARG A 42 -7.052 0.969 -8.833 1.00 0.00 C ATOM 631 C ARG A 42 -6.269 2.036 -8.073 1.00 0.00 C ATOM 632 O ARG A 42 -6.689 3.191 -7.993 1.00 0.00 O ATOM 633 CB ARG A 42 -7.916 0.165 -7.859 1.00 0.00 C ATOM 634 CG ARG A 42 -8.346 -1.188 -8.402 1.00 0.00 C ATOM 635 CD ARG A 42 -9.679 -1.626 -7.814 1.00 0.00 C ATOM 636 NE ARG A 42 -10.811 -1.050 -8.535 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.436 0.059 -8.156 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.041 0.709 -7.070 1.00 0.00 N ATOM 639 NH2 ARG A 42 -12.459 0.521 -8.864 1.00 0.00 N ATOM 0 H ARG A 42 -6.163 -0.884 -9.241 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.698 1.464 -9.558 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.362 0.016 -6.932 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.804 0.746 -7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.425 -1.137 -9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.584 -1.932 -8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.747 -2.714 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.728 -1.330 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.140 -1.525 -9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.255 0.358 -6.523 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.523 1.560 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.766 0.024 -9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.938 1.373 -8.572 1.00 0.00 H new ATOM 653 N PHE A 43 -5.129 1.641 -7.515 1.00 0.00 N ATOM 654 CA PHE A 43 -4.288 2.562 -6.760 1.00 0.00 C ATOM 655 C PHE A 43 -3.871 3.750 -7.623 1.00 0.00 C ATOM 656 O PHE A 43 -3.880 4.895 -7.170 1.00 0.00 O ATOM 657 CB PHE A 43 -3.047 1.838 -6.235 1.00 0.00 C ATOM 658 CG PHE A 43 -3.328 0.938 -5.066 1.00 0.00 C ATOM 659 CD1 PHE A 43 -3.815 -0.344 -5.263 1.00 0.00 C ATOM 660 CD2 PHE A 43 -3.104 1.373 -3.770 1.00 0.00 C ATOM 661 CE1 PHE A 43 -4.075 -1.174 -4.189 1.00 0.00 C ATOM 662 CE2 PHE A 43 -3.362 0.547 -2.691 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.847 -0.729 -2.902 1.00 0.00 C ATOM 0 H PHE A 43 -4.767 0.689 -7.572 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.867 2.935 -5.915 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.612 1.248 -7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.301 2.577 -5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.993 -0.699 -6.267 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.723 2.369 -3.600 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.456 -2.170 -4.356 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.185 0.899 -1.686 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.047 -1.377 -2.062 1.00 0.00 H new ATOM 673 N LEU A 44 -3.505 3.468 -8.869 1.00 0.00 N ATOM 674 CA LEU A 44 -3.083 4.512 -9.796 1.00 0.00 C ATOM 675 C LEU A 44 -4.274 5.352 -10.249 1.00 0.00 C ATOM 676 O LEU A 44 -4.281 6.572 -10.091 1.00 0.00 O ATOM 677 CB LEU A 44 -2.391 3.892 -11.012 1.00 0.00 C ATOM 678 CG LEU A 44 -0.990 3.328 -10.770 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.149 4.310 -9.971 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.072 1.987 -10.055 1.00 0.00 C ATOM 0 H LEU A 44 -3.492 2.526 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.379 5.162 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.023 3.091 -11.395 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.327 4.649 -11.794 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.509 3.174 -11.736 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.844 3.891 -9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.062 5.247 -10.522 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.625 4.498 -9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.066 1.600 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.572 2.116 -9.095 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.636 1.283 -10.666 1.00 0.00 H new ATOM 692 N SER A 45 -5.280 4.689 -10.810 1.00 0.00 N ATOM 693 CA SER A 45 -6.476 5.374 -11.287 1.00 0.00 C ATOM 694 C SER A 45 -7.071 6.253 -10.191 1.00 0.00 C ATOM 695 O SER A 45 -7.423 7.408 -10.431 1.00 0.00 O ATOM 696 CB SER A 45 -7.516 4.358 -11.763 1.00 0.00 C ATOM 697 OG SER A 45 -8.359 4.918 -12.755 1.00 0.00 O ATOM 0 H SER A 45 -5.291 3.678 -10.945 1.00 0.00 H new ATOM 0 HA SER A 45 -6.191 6.010 -12.125 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.013 3.478 -12.164 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.117 4.024 -10.917 1.00 0.00 H new ATOM 0 HG SER A 45 -9.014 4.248 -13.044 1.00 0.00 H new ATOM 703 N GLU A 46 -7.179 5.698 -8.988 1.00 0.00 N ATOM 704 CA GLU A 46 -7.732 6.431 -7.856 1.00 0.00 C ATOM 705 C GLU A 46 -6.670 7.317 -7.210 1.00 0.00 C ATOM 706 O GLU A 46 -6.889 7.888 -6.142 1.00 0.00 O ATOM 707 CB GLU A 46 -8.300 5.459 -6.819 1.00 0.00 C ATOM 708 CG GLU A 46 -9.596 4.795 -7.253 1.00 0.00 C ATOM 709 CD GLU A 46 -10.658 5.798 -7.659 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.868 6.776 -6.911 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.279 5.605 -8.725 1.00 0.00 O ATOM 0 H GLU A 46 -6.891 4.744 -8.773 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.536 7.068 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.558 4.688 -6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.471 5.996 -5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.395 4.126 -8.090 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.976 4.180 -6.437 1.00 0.00 H new ATOM 718 N ARG A 47 -5.520 7.426 -7.867 1.00 0.00 N ATOM 719 CA ARG A 47 -4.423 8.240 -7.357 1.00 0.00 C ATOM 720 C ARG A 47 -4.238 8.025 -5.858 1.00 0.00 C ATOM 721 O ARG A 47 -3.902 8.955 -5.123 1.00 0.00 O ATOM 722 CB ARG A 47 -4.683 9.720 -7.643 1.00 0.00 C ATOM 723 CG ARG A 47 -4.462 10.108 -9.096 1.00 0.00 C ATOM 724 CD ARG A 47 -2.982 10.242 -9.418 1.00 0.00 C ATOM 725 NE ARG A 47 -2.473 11.575 -9.106 1.00 0.00 N ATOM 726 CZ ARG A 47 -1.382 12.093 -9.659 1.00 0.00 C ATOM 727 NH1 ARG A 47 -0.689 11.394 -10.547 1.00 0.00 N ATOM 728 NH2 ARG A 47 -0.982 13.313 -9.324 1.00 0.00 N ATOM 0 H ARG A 47 -5.324 6.961 -8.753 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.509 7.934 -7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.709 9.960 -7.364 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.031 10.323 -7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.910 9.357 -9.746 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.967 11.051 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.419 9.498 -8.854 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.820 10.030 -10.475 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.983 12.139 -8.426 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.993 10.456 -10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.148 11.794 -10.970 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.512 13.854 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.144 13.710 -9.749 1.00 0.00 H new ATOM 742 N VAL A 48 -4.460 6.794 -5.409 1.00 0.00 N ATOM 743 CA VAL A 48 -4.317 6.457 -3.998 1.00 0.00 C ATOM 744 C VAL A 48 -2.881 6.659 -3.527 1.00 0.00 C ATOM 745 O VAL A 48 -2.004 5.845 -3.813 1.00 0.00 O ATOM 746 CB VAL A 48 -4.736 5.000 -3.724 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.513 4.646 -2.262 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.188 4.780 -4.119 1.00 0.00 C ATOM 0 H VAL A 48 -4.740 6.013 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.975 7.127 -3.444 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.115 4.341 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.815 3.613 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.457 4.762 -2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.107 5.309 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.467 3.745 -3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.827 5.447 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.312 4.990 -5.181 1.00 0.00 H new ATOM 758 N ASN A 49 -2.650 7.749 -2.803 1.00 0.00 N ATOM 759 CA ASN A 49 -1.319 8.059 -2.292 1.00 0.00 C ATOM 760 C ASN A 49 -1.112 7.448 -0.910 1.00 0.00 C ATOM 761 O ASN A 49 -2.038 6.894 -0.319 1.00 0.00 O ATOM 762 CB ASN A 49 -1.115 9.573 -2.229 1.00 0.00 C ATOM 763 CG ASN A 49 -2.022 10.237 -1.211 1.00 0.00 C ATOM 764 OD1 ASN A 49 -3.240 10.282 -1.384 1.00 0.00 O ATOM 765 ND2 ASN A 49 -1.430 10.757 -0.141 1.00 0.00 N ATOM 0 H ASN A 49 -3.366 8.432 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.585 7.629 -2.973 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.076 9.787 -1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.302 10.003 -3.213 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -1.989 11.216 0.578 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -0.417 10.697 -0.039 1.00 0.00 H new ATOM 772 N GLY A 50 0.111 7.553 -0.399 1.00 0.00 N ATOM 773 CA GLY A 50 0.418 7.007 0.910 1.00 0.00 C ATOM 774 C GLY A 50 -0.603 7.403 1.957 1.00 0.00 C ATOM 775 O GLY A 50 -1.280 6.548 2.528 1.00 0.00 O ATOM 0 H GLY A 50 0.895 8.007 -0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.464 5.920 0.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.405 7.350 1.221 1.00 0.00 H new ATOM 779 N ARG A 51 -0.714 8.703 2.212 1.00 0.00 N ATOM 780 CA ARG A 51 -1.658 9.210 3.201 1.00 0.00 C ATOM 781 C ARG A 51 -2.955 8.406 3.176 1.00 0.00 C ATOM 782 O ARG A 51 -3.349 7.812 4.180 1.00 0.00 O ATOM 783 CB ARG A 51 -1.956 10.688 2.941 1.00 0.00 C ATOM 784 CG ARG A 51 -2.138 11.504 4.210 1.00 0.00 C ATOM 785 CD ARG A 51 -3.272 10.960 5.065 1.00 0.00 C ATOM 786 NE ARG A 51 -4.553 11.577 4.733 1.00 0.00 N ATOM 787 CZ ARG A 51 -4.897 12.804 5.107 1.00 0.00 C ATOM 788 NH1 ARG A 51 -4.058 13.542 5.822 1.00 0.00 N ATOM 789 NH2 ARG A 51 -6.081 13.296 4.766 1.00 0.00 N ATOM 0 H ARG A 51 -0.162 9.424 1.747 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.205 9.106 4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.142 11.117 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.859 10.767 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.212 11.496 4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.343 12.542 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.343 9.881 4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.048 11.134 6.117 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.221 11.036 4.184 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.147 13.167 6.086 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.324 14.484 6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.729 12.732 4.216 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -6.344 14.239 5.054 1.00 0.00 H new ATOM 803 N LEU A 52 -3.614 8.393 2.023 1.00 0.00 N ATOM 804 CA LEU A 52 -4.868 7.663 1.867 1.00 0.00 C ATOM 805 C LEU A 52 -4.693 6.195 2.242 1.00 0.00 C ATOM 806 O LEU A 52 -5.545 5.608 2.910 1.00 0.00 O ATOM 807 CB LEU A 52 -5.371 7.777 0.427 1.00 0.00 C ATOM 808 CG LEU A 52 -6.618 6.960 0.085 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.826 7.486 0.844 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.876 6.983 -1.414 1.00 0.00 C ATOM 0 H LEU A 52 -3.302 8.879 1.183 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.604 8.105 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.580 8.826 0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.567 7.473 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.446 5.927 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.703 6.892 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.641 7.416 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.001 8.527 0.573 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.767 6.397 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.026 8.012 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.020 6.557 -1.937 1.00 0.00 H new ATOM 822 N LEU A 53 -3.583 5.608 1.809 1.00 0.00 N ATOM 823 CA LEU A 53 -3.294 4.208 2.101 1.00 0.00 C ATOM 824 C LEU A 53 -3.282 3.957 3.606 1.00 0.00 C ATOM 825 O LEU A 53 -3.643 2.874 4.068 1.00 0.00 O ATOM 826 CB LEU A 53 -1.948 3.807 1.495 1.00 0.00 C ATOM 827 CG LEU A 53 -1.565 2.332 1.627 1.00 0.00 C ATOM 828 CD1 LEU A 53 -2.490 1.463 0.788 1.00 0.00 C ATOM 829 CD2 LEU A 53 -0.115 2.119 1.219 1.00 0.00 C ATOM 0 H LEU A 53 -2.868 6.079 1.255 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.081 3.600 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.957 4.066 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.168 4.408 1.963 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.674 2.040 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.202 0.417 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.518 1.593 1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.413 1.756 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.140 1.064 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.021 2.428 0.183 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.535 2.712 1.862 1.00 0.00 H new ATOM 841 N LEU A 54 -2.866 4.964 4.365 1.00 0.00 N ATOM 842 CA LEU A 54 -2.808 4.854 5.818 1.00 0.00 C ATOM 843 C LEU A 54 -4.202 4.968 6.429 1.00 0.00 C ATOM 844 O LEU A 54 -4.572 4.190 7.309 1.00 0.00 O ATOM 845 CB LEU A 54 -1.896 5.938 6.396 1.00 0.00 C ATOM 846 CG LEU A 54 -0.395 5.658 6.326 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.395 6.857 6.828 1.00 0.00 C ATOM 848 CD2 LEU A 54 -0.045 4.414 7.129 1.00 0.00 C ATOM 0 H LEU A 54 -2.564 5.867 3.998 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.401 3.874 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.096 6.872 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.168 6.095 7.440 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.127 5.481 5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.462 6.640 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.168 7.726 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.122 7.065 7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.028 4.231 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.328 4.562 8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.583 3.557 6.725 1.00 0.00 H new ATOM 860 N THR A 55 -4.973 5.941 5.953 1.00 0.00 N ATOM 861 CA THR A 55 -6.326 6.156 6.450 1.00 0.00 C ATOM 862 C THR A 55 -7.193 4.921 6.235 1.00 0.00 C ATOM 863 O THR A 55 -7.911 4.489 7.138 1.00 0.00 O ATOM 864 CB THR A 55 -6.992 7.363 5.763 1.00 0.00 C ATOM 865 OG1 THR A 55 -7.128 7.114 4.359 1.00 0.00 O ATOM 866 CG2 THR A 55 -6.176 8.628 5.982 1.00 0.00 C ATOM 0 H THR A 55 -4.683 6.593 5.224 1.00 0.00 H new ATOM 0 HA THR A 55 -6.242 6.356 7.518 1.00 0.00 H new ATOM 0 HB THR A 55 -7.979 7.505 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.365 6.586 4.045 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.666 9.467 5.488 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.099 8.831 7.050 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.178 8.494 5.565 1.00 0.00 H new ATOM 874 N LEU A 56 -7.123 4.355 5.036 1.00 0.00 N ATOM 875 CA LEU A 56 -7.902 3.168 4.702 1.00 0.00 C ATOM 876 C LEU A 56 -7.817 2.130 5.817 1.00 0.00 C ATOM 877 O LEU A 56 -6.728 1.789 6.281 1.00 0.00 O ATOM 878 CB LEU A 56 -7.408 2.562 3.387 1.00 0.00 C ATOM 879 CG LEU A 56 -7.624 3.412 2.134 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.732 2.927 1.001 1.00 0.00 C ATOM 881 CD2 LEU A 56 -9.086 3.382 1.715 1.00 0.00 C ATOM 0 H LEU A 56 -6.534 4.699 4.278 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.944 3.468 4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.342 2.356 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.906 1.603 3.242 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.355 4.443 2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.899 3.543 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.687 3.001 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.970 1.889 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.221 3.992 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.382 2.355 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.704 3.777 2.521 1.00 0.00 H new ATOM 893 N THR A 57 -8.973 1.629 6.241 1.00 0.00 N ATOM 894 CA THR A 57 -9.029 0.629 7.300 1.00 0.00 C ATOM 895 C THR A 57 -9.374 -0.746 6.740 1.00 0.00 C ATOM 896 O THR A 57 -9.694 -0.883 5.560 1.00 0.00 O ATOM 897 CB THR A 57 -10.065 1.008 8.376 1.00 0.00 C ATOM 898 OG1 THR A 57 -11.374 1.064 7.797 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.725 2.350 9.005 1.00 0.00 C ATOM 0 H THR A 57 -9.883 1.899 5.867 1.00 0.00 H new ATOM 0 HA THR A 57 -8.039 0.595 7.755 1.00 0.00 H new ATOM 0 HB THR A 57 -10.045 0.245 9.154 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.027 1.304 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.470 2.597 9.761 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.741 2.295 9.470 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.720 3.122 8.235 1.00 0.00 H new ATOM 907 N GLU A 58 -9.308 -1.762 7.596 1.00 0.00 N ATOM 908 CA GLU A 58 -9.614 -3.127 7.184 1.00 0.00 C ATOM 909 C GLU A 58 -11.020 -3.216 6.597 1.00 0.00 C ATOM 910 O GLU A 58 -11.377 -4.209 5.965 1.00 0.00 O ATOM 911 CB GLU A 58 -9.484 -4.082 8.372 1.00 0.00 C ATOM 912 CG GLU A 58 -9.459 -5.549 7.974 1.00 0.00 C ATOM 913 CD GLU A 58 -8.679 -6.405 8.951 1.00 0.00 C ATOM 914 OE1 GLU A 58 -9.260 -6.811 9.980 1.00 0.00 O ATOM 915 OE2 GLU A 58 -7.487 -6.670 8.689 1.00 0.00 O ATOM 0 H GLU A 58 -9.046 -1.665 8.577 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.899 -3.416 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.571 -3.847 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.316 -3.914 9.055 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.481 -5.921 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.019 -5.645 6.981 1.00 0.00 H new ATOM 922 N GLU A 59 -11.812 -2.171 6.813 1.00 0.00 N ATOM 923 CA GLU A 59 -13.179 -2.132 6.307 1.00 0.00 C ATOM 924 C GLU A 59 -13.243 -1.405 4.967 1.00 0.00 C ATOM 925 O GLU A 59 -13.685 -1.967 3.965 1.00 0.00 O ATOM 926 CB GLU A 59 -14.101 -1.445 7.316 1.00 0.00 C ATOM 927 CG GLU A 59 -15.227 -0.653 6.672 1.00 0.00 C ATOM 928 CD GLU A 59 -16.227 -1.539 5.955 1.00 0.00 C ATOM 929 OE1 GLU A 59 -15.794 -2.465 5.239 1.00 0.00 O ATOM 930 OE2 GLU A 59 -17.444 -1.305 6.111 1.00 0.00 O ATOM 0 H GLU A 59 -11.531 -1.341 7.335 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.514 -3.159 6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.530 -2.199 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.508 -0.776 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.743 -0.074 7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.806 0.060 5.964 1.00 0.00 H new ATOM 937 N GLU A 60 -12.798 -0.152 4.958 1.00 0.00 N ATOM 938 CA GLU A 60 -12.806 0.652 3.742 1.00 0.00 C ATOM 939 C GLU A 60 -12.259 -0.144 2.560 1.00 0.00 C ATOM 940 O GLU A 60 -12.780 -0.060 1.447 1.00 0.00 O ATOM 941 CB GLU A 60 -11.979 1.924 3.940 1.00 0.00 C ATOM 942 CG GLU A 60 -12.652 2.955 4.831 1.00 0.00 C ATOM 943 CD GLU A 60 -13.854 3.601 4.170 1.00 0.00 C ATOM 944 OE1 GLU A 60 -13.657 4.478 3.304 1.00 0.00 O ATOM 945 OE2 GLU A 60 -14.994 3.228 4.520 1.00 0.00 O ATOM 0 H GLU A 60 -12.428 0.328 5.779 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.838 0.928 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.015 1.657 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.779 2.372 2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.965 2.478 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.930 3.727 5.097 1.00 0.00 H new ATOM 952 N PHE A 61 -11.206 -0.915 2.810 1.00 0.00 N ATOM 953 CA PHE A 61 -10.587 -1.725 1.767 1.00 0.00 C ATOM 954 C PHE A 61 -11.589 -2.717 1.183 1.00 0.00 C ATOM 955 O PHE A 61 -11.549 -3.028 -0.007 1.00 0.00 O ATOM 956 CB PHE A 61 -9.376 -2.474 2.325 1.00 0.00 C ATOM 957 CG PHE A 61 -8.122 -1.647 2.358 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.684 -0.985 1.222 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.382 -1.533 3.524 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.531 -0.223 1.249 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.229 -0.771 3.556 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.802 -0.117 2.418 1.00 0.00 C ATOM 0 H PHE A 61 -10.763 -0.996 3.725 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.257 -1.058 0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.604 -2.815 3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.199 -3.364 1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.250 -1.065 0.306 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.709 -2.045 4.417 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.200 0.289 0.357 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.662 -0.687 4.472 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.900 0.476 2.441 1.00 0.00 H new ATOM 972 N SER A 62 -12.485 -3.212 2.030 1.00 0.00 N ATOM 973 CA SER A 62 -13.495 -4.173 1.601 1.00 0.00 C ATOM 974 C SER A 62 -14.733 -3.458 1.068 1.00 0.00 C ATOM 975 O SER A 62 -15.717 -4.095 0.691 1.00 0.00 O ATOM 976 CB SER A 62 -13.882 -5.091 2.761 1.00 0.00 C ATOM 977 OG SER A 62 -15.015 -5.876 2.434 1.00 0.00 O ATOM 0 H SER A 62 -12.533 -2.964 3.018 1.00 0.00 H new ATOM 0 HA SER A 62 -13.070 -4.775 0.798 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.044 -5.742 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.094 -4.493 3.647 1.00 0.00 H new ATOM 0 HG SER A 62 -15.332 -5.636 1.538 1.00 0.00 H new ATOM 983 N ARG A 63 -14.676 -2.131 1.040 1.00 0.00 N ATOM 984 CA ARG A 63 -15.793 -1.328 0.555 1.00 0.00 C ATOM 985 C ARG A 63 -15.455 -0.681 -0.785 1.00 0.00 C ATOM 986 O ARG A 63 -14.306 -0.323 -1.041 1.00 0.00 O ATOM 987 CB ARG A 63 -16.155 -0.250 1.578 1.00 0.00 C ATOM 988 CG ARG A 63 -16.524 -0.805 2.944 1.00 0.00 C ATOM 989 CD ARG A 63 -17.775 -1.667 2.875 1.00 0.00 C ATOM 990 NE ARG A 63 -18.929 -0.918 2.384 1.00 0.00 N ATOM 991 CZ ARG A 63 -20.188 -1.268 2.624 1.00 0.00 C ATOM 992 NH1 ARG A 63 -20.454 -2.349 3.344 1.00 0.00 N ATOM 993 NH2 ARG A 63 -21.185 -0.536 2.143 1.00 0.00 N ATOM 0 H ARG A 63 -13.869 -1.589 1.347 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.649 -1.988 0.415 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -15.312 0.432 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.991 0.336 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.695 -1.395 3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.685 0.018 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.592 -2.520 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -17.996 -2.065 3.865 1.00 0.00 H new ATOM 0 HE ARG A 63 -18.759 -0.081 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.691 -2.915 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -21.422 -2.615 3.526 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -20.985 0.296 1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -22.151 -0.806 2.328 1.00 0.00 H new ATOM 1007 N ALA A 64 -16.465 -0.533 -1.636 1.00 0.00 N ATOM 1008 CA ALA A 64 -16.276 0.072 -2.948 1.00 0.00 C ATOM 1009 C ALA A 64 -15.586 1.427 -2.834 1.00 0.00 C ATOM 1010 O ALA A 64 -15.678 2.113 -1.816 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.613 0.217 -3.660 1.00 0.00 C ATOM 0 H ALA A 64 -17.423 -0.824 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.634 -0.585 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -17.457 0.670 -4.639 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -18.068 -0.766 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -18.274 0.851 -3.068 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.876 1.823 -3.901 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.759 1.014 -5.118 1.00 0.00 C ATOM 1019 C PRO A 65 -13.918 -0.240 -4.901 1.00 0.00 C ATOM 1020 O PRO A 65 -14.299 -1.334 -5.319 1.00 0.00 O ATOM 1021 CB PRO A 65 -14.067 1.957 -6.105 1.00 0.00 C ATOM 1022 CG PRO A 65 -13.313 2.915 -5.249 1.00 0.00 C ATOM 1023 CD PRO A 65 -14.134 3.090 -4.002 1.00 0.00 C ATOM 0 HA PRO A 65 -15.728 0.651 -5.461 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.399 1.411 -6.772 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.792 2.474 -6.733 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.321 2.530 -5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.172 3.867 -5.760 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.505 3.258 -3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.806 3.944 -4.080 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.775 -0.074 -4.246 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.879 -1.193 -3.976 1.00 0.00 C ATOM 1033 C TYR A 66 -12.669 -2.470 -3.706 1.00 0.00 C ATOM 1034 O TYR A 66 -12.335 -3.541 -4.213 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.978 -0.875 -2.781 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.465 0.547 -2.771 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.392 0.924 -3.570 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -11.052 1.513 -1.963 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -8.919 2.222 -3.564 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.586 2.813 -1.952 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.520 3.163 -2.754 1.00 0.00 C ATOM 1042 OH TYR A 66 -9.052 4.457 -2.744 1.00 0.00 O ATOM 0 H TYR A 66 -12.446 0.824 -3.892 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.259 -1.351 -4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.532 -1.059 -1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -10.129 -1.559 -2.785 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.920 0.190 -4.206 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.887 1.243 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.083 2.498 -4.190 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -11.054 3.552 -1.318 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.586 4.993 -2.121 1.00 0.00 H new ATOM 1052 N THR A 67 -13.721 -2.349 -2.902 1.00 0.00 N ATOM 1053 CA THR A 67 -14.560 -3.491 -2.563 1.00 0.00 C ATOM 1054 C THR A 67 -13.743 -4.778 -2.514 1.00 0.00 C ATOM 1055 O THR A 67 -14.219 -5.841 -2.914 1.00 0.00 O ATOM 1056 CB THR A 67 -15.709 -3.664 -3.573 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.651 -4.626 -3.085 1.00 0.00 O ATOM 1058 CG2 THR A 67 -15.177 -4.110 -4.927 1.00 0.00 C ATOM 0 H THR A 67 -14.012 -1.470 -2.473 1.00 0.00 H new ATOM 0 HA THR A 67 -14.980 -3.293 -1.577 1.00 0.00 H new ATOM 0 HB THR A 67 -16.204 -2.701 -3.694 1.00 0.00 H new ATOM 0 HG1 THR A 67 -16.180 -5.451 -2.843 1.00 0.00 H new ATOM 0 HG21 THR A 67 -16.007 -4.226 -5.624 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.483 -3.362 -5.310 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.659 -5.063 -4.818 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.513 -4.674 -2.023 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.631 -5.830 -1.921 1.00 0.00 C ATOM 1068 C ILE A 68 -12.367 -7.033 -1.342 1.00 0.00 C ATOM 1069 O ILE A 68 -12.423 -7.212 -0.126 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.401 -5.525 -1.047 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.606 -4.358 -1.636 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.522 -6.760 -0.919 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.412 -3.956 -0.798 1.00 0.00 C ATOM 0 H ILE A 68 -12.104 -3.801 -1.689 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.298 -6.063 -2.932 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.743 -5.242 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.264 -4.629 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.267 -3.499 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.657 -6.528 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.093 -7.567 -0.459 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.186 -7.071 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.896 -3.123 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.749 -3.653 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.730 -4.801 -0.707 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.930 -7.856 -2.222 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.662 -9.043 -1.796 1.00 0.00 C ATOM 1087 C GLU A 69 -12.704 -10.190 -1.485 1.00 0.00 C ATOM 1088 O GLU A 69 -12.959 -11.339 -1.843 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.654 -9.473 -2.879 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.621 -8.375 -3.289 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.901 -8.920 -3.892 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -17.782 -9.355 -3.121 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -17.022 -8.912 -5.135 1.00 0.00 O ATOM 0 H GLU A 69 -12.893 -7.723 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.211 -8.794 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.099 -9.804 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -15.223 -10.331 -2.519 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.864 -7.767 -2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.135 -7.719 -4.011 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.602 -9.868 -0.816 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.606 -10.870 -0.456 1.00 0.00 C ATOM 1102 C ASN A 70 -9.848 -10.457 0.802 1.00 0.00 C ATOM 1103 O ASN A 70 -9.022 -9.545 0.771 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.623 -11.079 -1.611 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.968 -12.446 -1.571 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -8.408 -12.801 -0.420 1.00 0.00 O flip ATOM 1107 ND2 ASN A 70 -8.965 -13.174 -2.564 1.00 0.00 N flip ATOM 0 H ASN A 70 -11.376 -8.921 -0.512 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.126 -11.807 -0.254 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.148 -10.958 -2.558 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.853 -10.309 -1.573 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.408 -12.860 -3.428 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.520 -14.091 -2.523 1.00 0.00 H new ATOM 1114 N SER A 71 -10.135 -11.136 1.908 1.00 0.00 N ATOM 1115 CA SER A 71 -9.484 -10.838 3.179 1.00 0.00 C ATOM 1116 C SER A 71 -7.973 -11.020 3.070 1.00 0.00 C ATOM 1117 O SER A 71 -7.206 -10.086 3.305 1.00 0.00 O ATOM 1118 CB SER A 71 -10.040 -11.738 4.284 1.00 0.00 C ATOM 1119 OG SER A 71 -11.389 -11.417 4.574 1.00 0.00 O ATOM 0 H SER A 71 -10.814 -11.896 1.950 1.00 0.00 H new ATOM 0 HA SER A 71 -9.690 -9.798 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.969 -12.782 3.977 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.436 -11.629 5.184 1.00 0.00 H new ATOM 0 HG SER A 71 -11.721 -12.008 5.282 1.00 0.00 H new ATOM 1125 N SER A 72 -7.553 -12.229 2.713 1.00 0.00 N ATOM 1126 CA SER A 72 -6.134 -12.536 2.577 1.00 0.00 C ATOM 1127 C SER A 72 -5.369 -11.336 2.028 1.00 0.00 C ATOM 1128 O SER A 72 -4.244 -11.059 2.445 1.00 0.00 O ATOM 1129 CB SER A 72 -5.938 -13.744 1.658 1.00 0.00 C ATOM 1130 OG SER A 72 -6.638 -14.875 2.146 1.00 0.00 O ATOM 0 H SER A 72 -8.175 -13.012 2.513 1.00 0.00 H new ATOM 0 HA SER A 72 -5.742 -12.773 3.566 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.287 -13.502 0.654 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.876 -13.976 1.579 1.00 0.00 H new ATOM 0 HG SER A 72 -6.498 -15.633 1.540 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.987 -10.627 1.089 1.00 0.00 N ATOM 1137 CA HIS A 73 -5.366 -9.455 0.482 1.00 0.00 C ATOM 1138 C HIS A 73 -5.247 -8.318 1.493 1.00 0.00 C ATOM 1139 O HIS A 73 -4.192 -7.696 1.620 1.00 0.00 O ATOM 1140 CB HIS A 73 -6.175 -8.993 -0.730 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.584 -7.805 -1.426 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -4.612 -7.722 -2.364 1.00 0.00 N flip ATOM 1143 CD2 HIS A 73 -5.991 -6.510 -1.181 1.00 0.00 C flip ATOM 1144 CE1 HIS A 73 -4.450 -6.392 -2.666 1.00 0.00 C flip ATOM 1145 NE2 HIS A 73 -5.294 -5.682 -1.939 1.00 0.00 N flip ATOM 0 H HIS A 73 -6.918 -10.844 0.732 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.364 -9.734 0.156 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.255 -9.817 -1.439 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.188 -8.749 -0.409 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -4.096 -8.502 -2.771 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.759 -6.219 -0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.747 -5.992 -3.381 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.335 -8.053 2.209 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.352 -6.990 3.206 1.00 0.00 C ATOM 1156 C ARG A 74 -5.299 -7.237 4.282 1.00 0.00 C ATOM 1157 O ARG A 74 -4.610 -6.312 4.714 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.737 -6.886 3.847 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.724 -6.063 3.036 1.00 0.00 C ATOM 1160 CD ARG A 74 -10.065 -5.946 3.743 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.945 -7.071 3.438 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.934 -7.467 4.232 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -12.168 -6.831 5.372 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.691 -8.500 3.885 1.00 0.00 N ATOM 0 H ARG A 74 -7.215 -8.560 2.117 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.120 -6.051 2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.140 -7.889 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.637 -6.444 4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.314 -5.068 2.864 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.866 -6.523 2.058 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.904 -5.894 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.550 -5.016 3.448 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.792 -7.581 2.568 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.588 -6.036 5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.928 -7.137 5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.514 -8.990 3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.450 -8.804 4.495 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.181 -8.489 4.711 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.213 -8.857 5.738 1.00 0.00 C ATOM 1180 C ARG A 75 -2.796 -8.495 5.303 1.00 0.00 C ATOM 1181 O ARG A 75 -2.048 -7.865 6.051 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.299 -10.355 6.037 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.396 -10.802 7.174 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.961 -10.984 6.707 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.261 -12.010 7.477 1.00 0.00 N ATOM 1186 CZ ARG A 75 -1.465 -13.313 7.321 1.00 0.00 C ATOM 1187 NH1 ARG A 75 -2.344 -13.747 6.428 1.00 0.00 N ATOM 1188 NH2 ARG A 75 -0.789 -14.184 8.059 1.00 0.00 N ATOM 0 H ARG A 75 -5.743 -9.266 4.364 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.451 -8.299 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.330 -10.609 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.038 -10.912 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.428 -10.065 7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.767 -11.740 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.955 -11.256 5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.428 -10.037 6.796 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.578 -11.709 8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.865 -13.080 5.859 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.499 -14.748 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.112 -13.853 8.747 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.946 -15.185 7.939 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.433 -8.899 4.090 1.00 0.00 N ATOM 1203 CA VAL A 76 -1.106 -8.617 3.556 1.00 0.00 C ATOM 1204 C VAL A 76 -0.823 -7.119 3.548 1.00 0.00 C ATOM 1205 O VAL A 76 0.250 -6.677 3.959 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.949 -9.165 2.125 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.454 -8.898 1.602 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -1.267 -10.652 2.087 1.00 0.00 C ATOM 0 H VAL A 76 -3.039 -9.423 3.459 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.390 -9.116 4.209 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.657 -8.648 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.546 -9.292 0.590 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.640 -7.824 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.183 -9.386 2.249 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.151 -11.023 1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.585 -11.187 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.293 -10.813 2.417 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.794 -6.342 3.078 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.650 -4.892 3.018 1.00 0.00 C ATOM 1220 C ILE A 77 -1.527 -4.294 4.416 1.00 0.00 C ATOM 1221 O ILE A 77 -0.516 -3.675 4.751 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.841 -4.238 2.295 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.749 -4.484 0.788 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.887 -2.746 2.592 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.981 -4.046 0.027 1.00 0.00 C ATOM 0 H ILE A 77 -2.688 -6.692 2.734 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.738 -4.688 2.456 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.762 -4.690 2.662 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.881 -3.955 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.581 -5.546 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.735 -2.298 2.074 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.995 -2.592 3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.964 -2.278 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.845 -4.251 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.849 -4.594 0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.138 -2.977 0.173 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.560 -4.485 5.228 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.568 -3.966 6.591 1.00 0.00 C ATOM 1239 C LEU A 78 -1.310 -4.388 7.342 1.00 0.00 C ATOM 1240 O LEU A 78 -0.525 -3.548 7.784 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.810 -4.456 7.338 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.110 -3.706 7.044 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.314 -4.575 7.375 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.161 -2.401 7.824 1.00 0.00 C ATOM 0 H LEU A 78 -3.403 -4.996 4.966 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.589 -2.877 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.960 -5.509 7.101 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.613 -4.395 8.408 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.139 -3.471 5.980 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.230 -4.025 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.285 -5.482 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.291 -4.841 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.093 -1.881 7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.109 -2.613 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.318 -1.773 7.537 1.00 0.00 H new ATOM 1256 N THR A 79 -1.121 -5.697 7.482 1.00 0.00 N ATOM 1257 CA THR A 79 0.042 -6.232 8.178 1.00 0.00 C ATOM 1258 C THR A 79 1.326 -5.569 7.692 1.00 0.00 C ATOM 1259 O THR A 79 2.062 -4.972 8.478 1.00 0.00 O ATOM 1260 CB THR A 79 0.161 -7.756 7.985 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.029 -8.402 8.451 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.367 -8.303 8.732 1.00 0.00 C ATOM 0 H THR A 79 -1.760 -6.406 7.122 1.00 0.00 H new ATOM 0 HA THR A 79 -0.097 -6.017 9.237 1.00 0.00 H new ATOM 0 HB THR A 79 0.291 -7.957 6.922 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.755 -8.251 7.811 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.430 -9.381 8.581 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.274 -7.830 8.355 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.263 -8.091 9.796 1.00 0.00 H new ATOM 1270 N GLU A 80 1.588 -5.677 6.394 1.00 0.00 N ATOM 1271 CA GLU A 80 2.785 -5.086 5.805 1.00 0.00 C ATOM 1272 C GLU A 80 2.866 -3.595 6.117 1.00 0.00 C ATOM 1273 O GLU A 80 3.943 -3.064 6.390 1.00 0.00 O ATOM 1274 CB GLU A 80 2.795 -5.303 4.290 1.00 0.00 C ATOM 1275 CG GLU A 80 3.189 -6.711 3.879 1.00 0.00 C ATOM 1276 CD GLU A 80 4.684 -6.863 3.675 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.373 -5.828 3.554 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.165 -8.015 3.637 1.00 0.00 O ATOM 0 H GLU A 80 0.989 -6.168 5.730 1.00 0.00 H new ATOM 0 HA GLU A 80 3.654 -5.578 6.241 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.804 -5.082 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.486 -4.594 3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.857 -7.415 4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.672 -6.974 2.956 1.00 0.00 H new ATOM 1285 N LEU A 81 1.719 -2.925 6.074 1.00 0.00 N ATOM 1286 CA LEU A 81 1.659 -1.494 6.351 1.00 0.00 C ATOM 1287 C LEU A 81 2.132 -1.194 7.770 1.00 0.00 C ATOM 1288 O LEU A 81 2.752 -0.161 8.023 1.00 0.00 O ATOM 1289 CB LEU A 81 0.233 -0.976 6.157 1.00 0.00 C ATOM 1290 CG LEU A 81 0.102 0.483 5.720 1.00 0.00 C ATOM 1291 CD1 LEU A 81 0.501 0.641 4.261 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -1.318 0.982 5.943 1.00 0.00 C ATOM 0 H LEU A 81 0.819 -3.350 5.850 1.00 0.00 H new ATOM 0 HA LEU A 81 2.322 -0.986 5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.262 -1.602 5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.309 -1.104 7.094 1.00 0.00 H new ATOM 0 HG LEU A 81 0.777 1.086 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.401 1.686 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.536 0.325 4.130 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.148 0.026 3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.392 2.022 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.012 0.375 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.568 0.906 7.001 1.00 0.00 H new ATOM 1304 N GLU A 82 1.835 -2.105 8.692 1.00 0.00 N ATOM 1305 CA GLU A 82 2.232 -1.937 10.086 1.00 0.00 C ATOM 1306 C GLU A 82 3.751 -1.878 10.216 1.00 0.00 C ATOM 1307 O GLU A 82 4.283 -1.201 11.095 1.00 0.00 O ATOM 1308 CB GLU A 82 1.680 -3.083 10.937 1.00 0.00 C ATOM 1309 CG GLU A 82 1.967 -2.931 12.421 1.00 0.00 C ATOM 1310 CD GLU A 82 1.259 -1.738 13.033 1.00 0.00 C ATOM 1311 OE1 GLU A 82 0.290 -1.244 12.420 1.00 0.00 O ATOM 1312 OE2 GLU A 82 1.675 -1.299 14.126 1.00 0.00 O ATOM 0 H GLU A 82 1.322 -2.965 8.500 1.00 0.00 H new ATOM 0 HA GLU A 82 1.818 -0.995 10.445 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.602 -3.148 10.789 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.107 -4.023 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.659 -3.838 12.942 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.042 -2.827 12.571 1.00 0.00 H new ATOM 1319 N ARG A 83 4.443 -2.592 9.334 1.00 0.00 N ATOM 1320 CA ARG A 83 5.900 -2.622 9.350 1.00 0.00 C ATOM 1321 C ARG A 83 6.478 -1.339 8.760 1.00 0.00 C ATOM 1322 O ARG A 83 7.291 -0.664 9.391 1.00 0.00 O ATOM 1323 CB ARG A 83 6.415 -3.833 8.570 1.00 0.00 C ATOM 1324 CG ARG A 83 5.759 -5.143 8.974 1.00 0.00 C ATOM 1325 CD ARG A 83 6.668 -6.330 8.699 1.00 0.00 C ATOM 1326 NE ARG A 83 7.822 -6.355 9.594 1.00 0.00 N ATOM 1327 CZ ARG A 83 7.792 -6.875 10.816 1.00 0.00 C ATOM 1328 NH1 ARG A 83 6.674 -7.411 11.285 1.00 0.00 N ATOM 1329 NH2 ARG A 83 8.884 -6.861 11.570 1.00 0.00 N ATOM 0 H ARG A 83 4.018 -3.157 8.599 1.00 0.00 H new ATOM 0 HA ARG A 83 6.225 -2.702 10.387 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.248 -3.666 7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.492 -3.916 8.715 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.508 -5.114 10.034 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.823 -5.266 8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.101 -7.254 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.012 -6.291 7.665 1.00 0.00 H new ATOM 0 HE ARG A 83 8.698 -5.951 9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.834 -7.425 10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.654 -7.810 12.224 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.746 -6.451 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.861 -7.260 12.508 1.00 0.00 H new ATOM 1343 N VAL A 84 6.052 -1.010 7.544 1.00 0.00 N ATOM 1344 CA VAL A 84 6.526 0.192 6.868 1.00 0.00 C ATOM 1345 C VAL A 84 6.179 1.444 7.665 1.00 0.00 C ATOM 1346 O VAL A 84 6.950 2.403 7.701 1.00 0.00 O ATOM 1347 CB VAL A 84 5.926 0.314 5.455 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.485 -0.767 4.542 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.408 0.242 5.513 1.00 0.00 C ATOM 0 H VAL A 84 5.380 -1.559 7.008 1.00 0.00 H new ATOM 0 HA VAL A 84 7.610 0.104 6.789 1.00 0.00 H new ATOM 0 HB VAL A 84 6.205 1.284 5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.050 -0.665 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.568 -0.663 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.238 -1.749 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.001 0.330 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.105 -0.712 5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.028 1.056 6.130 1.00 0.00 H new ATOM 1359 N ARG A 85 5.014 1.428 8.305 1.00 0.00 N ATOM 1360 CA ARG A 85 4.565 2.563 9.102 1.00 0.00 C ATOM 1361 C ARG A 85 5.156 2.508 10.508 1.00 0.00 C ATOM 1362 O ARG A 85 5.966 1.635 10.818 1.00 0.00 O ATOM 1363 CB ARG A 85 3.037 2.585 9.180 1.00 0.00 C ATOM 1364 CG ARG A 85 2.476 1.805 10.358 1.00 0.00 C ATOM 1365 CD ARG A 85 1.013 1.448 10.143 1.00 0.00 C ATOM 1366 NE ARG A 85 0.146 2.619 10.231 1.00 0.00 N ATOM 1367 CZ ARG A 85 -0.207 3.188 11.379 1.00 0.00 C ATOM 1368 NH1 ARG A 85 0.232 2.696 12.529 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -1.000 4.252 11.377 1.00 0.00 N ATOM 0 H ARG A 85 4.364 0.642 8.287 1.00 0.00 H new ATOM 0 HA ARG A 85 4.911 3.476 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.700 3.619 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.629 2.175 8.256 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.057 0.894 10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.578 2.395 11.269 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.894 0.981 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.706 0.713 10.887 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.208 3.023 9.364 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.842 1.879 12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.040 3.135 13.409 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -1.339 4.634 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.270 4.688 12.258 1.00 0.00 H new