USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 210 HIS HE2 : A 210 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 238 HIS HE2 : A 238 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 190 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.39) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 6:sc= 0.49 USER MOD Single : A 200 LYS NZ :NH3+ 172:sc= -1.38 (180deg=-1.48) USER MOD Single : A 206 THR OG1 : rot -23:sc= 0.907 USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 209 SER OG : rot 180:sc=-0.00581 USER MOD Single : A 211 GLN : amide:sc= 0.0116 X(o=0.012,f=0) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -1.01 K(o=-1,f=-5.9!) USER MOD Single : A 223 ASN : amide:sc= -0.0563 X(o=-0.056,f=-0.17) USER MOD Single : A 224 GLN : amide:sc= -0.39 K(o=-0.39,f=-3.1!) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 159:sc= -0.0603 (180deg=-0.355) USER MOD Single : A 242 SER OG : rot 150:sc= 0.265 USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 183 -25.195 -16.276 -16.390 1.00 0.00 N ATOM 2 CA GLY A 183 -25.600 -15.115 -15.619 1.00 0.00 C ATOM 3 C GLY A 183 -24.613 -14.775 -14.521 1.00 0.00 C ATOM 4 O GLY A 183 -24.020 -15.666 -13.912 1.00 0.00 O ATOM 0 HA2 GLY A 183 -25.706 -14.259 -16.286 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -26.580 -15.299 -15.178 1.00 0.00 H new ATOM 8 N SER A 184 -24.434 -13.482 -14.267 1.00 0.00 N ATOM 9 CA SER A 184 -23.507 -13.027 -13.237 1.00 0.00 C ATOM 10 C SER A 184 -23.714 -13.801 -11.939 1.00 0.00 C ATOM 11 O SER A 184 -24.835 -14.182 -11.602 1.00 0.00 O ATOM 12 CB SER A 184 -23.688 -11.529 -12.985 1.00 0.00 C ATOM 13 OG SER A 184 -22.858 -10.763 -13.842 1.00 0.00 O ATOM 0 H SER A 184 -24.918 -12.732 -14.760 1.00 0.00 H new ATOM 0 HA SER A 184 -22.492 -13.209 -13.590 1.00 0.00 H new ATOM 0 HB2 SER A 184 -24.731 -11.254 -13.143 1.00 0.00 H new ATOM 0 HB3 SER A 184 -23.452 -11.301 -11.946 1.00 0.00 H new ATOM 0 HG SER A 184 -22.994 -9.809 -13.662 1.00 0.00 H new ATOM 19 N SER A 185 -22.624 -14.030 -11.214 1.00 0.00 N ATOM 20 CA SER A 185 -22.683 -14.761 -9.954 1.00 0.00 C ATOM 21 C SER A 185 -22.732 -13.801 -8.769 1.00 0.00 C ATOM 22 O SER A 185 -22.604 -12.588 -8.933 1.00 0.00 O ATOM 23 CB SER A 185 -21.475 -15.691 -9.822 1.00 0.00 C ATOM 24 OG SER A 185 -20.267 -14.952 -9.770 1.00 0.00 O ATOM 0 H SER A 185 -21.689 -13.720 -11.478 1.00 0.00 H new ATOM 0 HA SER A 185 -23.595 -15.358 -9.952 1.00 0.00 H new ATOM 0 HB2 SER A 185 -21.574 -16.296 -8.921 1.00 0.00 H new ATOM 0 HB3 SER A 185 -21.448 -16.380 -10.667 1.00 0.00 H new ATOM 0 HG SER A 185 -19.510 -15.568 -9.684 1.00 0.00 H new ATOM 30 N GLY A 186 -22.919 -14.354 -7.575 1.00 0.00 N ATOM 31 CA GLY A 186 -22.982 -13.533 -6.379 1.00 0.00 C ATOM 32 C GLY A 186 -24.396 -13.096 -6.050 1.00 0.00 C ATOM 33 O GLY A 186 -24.709 -11.906 -6.085 1.00 0.00 O ATOM 0 H GLY A 186 -23.028 -15.355 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -22.572 -14.091 -5.537 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -22.355 -12.652 -6.513 1.00 0.00 H new ATOM 37 N SER A 187 -25.253 -14.061 -5.731 1.00 0.00 N ATOM 38 CA SER A 187 -26.643 -13.770 -5.399 1.00 0.00 C ATOM 39 C SER A 187 -26.730 -12.699 -4.316 1.00 0.00 C ATOM 40 O SER A 187 -27.524 -11.763 -4.416 1.00 0.00 O ATOM 41 CB SER A 187 -27.355 -15.042 -4.933 1.00 0.00 C ATOM 42 OG SER A 187 -26.762 -15.554 -3.752 1.00 0.00 O ATOM 0 H SER A 187 -25.009 -15.051 -5.695 1.00 0.00 H new ATOM 0 HA SER A 187 -27.135 -13.395 -6.297 1.00 0.00 H new ATOM 0 HB2 SER A 187 -28.408 -14.827 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 187 -27.314 -15.795 -5.720 1.00 0.00 H new ATOM 0 HG SER A 187 -27.236 -16.365 -3.473 1.00 0.00 H new ATOM 48 N SER A 188 -25.908 -12.843 -3.282 1.00 0.00 N ATOM 49 CA SER A 188 -25.894 -11.891 -2.178 1.00 0.00 C ATOM 50 C SER A 188 -24.571 -11.132 -2.131 1.00 0.00 C ATOM 51 O SER A 188 -23.669 -11.385 -2.929 1.00 0.00 O ATOM 52 CB SER A 188 -26.127 -12.614 -0.850 1.00 0.00 C ATOM 53 OG SER A 188 -25.127 -13.590 -0.618 1.00 0.00 O ATOM 0 H SER A 188 -25.243 -13.610 -3.186 1.00 0.00 H new ATOM 0 HA SER A 188 -26.699 -11.174 -2.340 1.00 0.00 H new ATOM 0 HB2 SER A 188 -26.130 -11.891 -0.034 1.00 0.00 H new ATOM 0 HB3 SER A 188 -27.108 -13.089 -0.858 1.00 0.00 H new ATOM 0 HG SER A 188 -25.298 -14.036 0.238 1.00 0.00 H new ATOM 59 N GLY A 189 -24.464 -10.200 -1.189 1.00 0.00 N ATOM 60 CA GLY A 189 -23.249 -9.418 -1.055 1.00 0.00 C ATOM 61 C GLY A 189 -22.047 -10.270 -0.697 1.00 0.00 C ATOM 62 O GLY A 189 -21.960 -11.433 -1.093 1.00 0.00 O ATOM 0 H GLY A 189 -25.197 -9.973 -0.517 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -23.053 -8.894 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -23.393 -8.658 -0.287 1.00 0.00 H new ATOM 66 N LYS A 190 -21.117 -9.692 0.055 1.00 0.00 N ATOM 67 CA LYS A 190 -19.913 -10.404 0.467 1.00 0.00 C ATOM 68 C LYS A 190 -19.438 -9.923 1.834 1.00 0.00 C ATOM 69 O LYS A 190 -19.128 -8.746 2.015 1.00 0.00 O ATOM 70 CB LYS A 190 -18.802 -10.213 -0.568 1.00 0.00 C ATOM 71 CG LYS A 190 -18.938 -11.118 -1.780 1.00 0.00 C ATOM 72 CD LYS A 190 -17.814 -10.887 -2.776 1.00 0.00 C ATOM 73 CE LYS A 190 -18.232 -11.272 -4.187 1.00 0.00 C ATOM 74 NZ LYS A 190 -17.056 -11.458 -5.083 1.00 0.00 N ATOM 0 H LYS A 190 -21.174 -8.731 0.392 1.00 0.00 H new ATOM 0 HA LYS A 190 -20.155 -11.464 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 190 -18.800 -9.174 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 190 -17.839 -10.398 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 190 -18.933 -12.160 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 190 -19.898 -10.938 -2.264 1.00 0.00 H new ATOM 0 HD2 LYS A 190 -17.519 -9.838 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 190 -16.941 -11.469 -2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 190 -18.813 -12.193 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 190 -18.882 -10.499 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 -17.383 -11.720 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 -16.515 -10.571 -5.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 -16.448 -12.213 -4.706 1.00 0.00 H new ATOM 88 N ARG A 191 -19.380 -10.842 2.793 1.00 0.00 N ATOM 89 CA ARG A 191 -18.942 -10.511 4.143 1.00 0.00 C ATOM 90 C ARG A 191 -17.507 -9.990 4.136 1.00 0.00 C ATOM 91 O ARG A 191 -16.626 -10.572 3.502 1.00 0.00 O ATOM 92 CB ARG A 191 -19.046 -11.738 5.051 1.00 0.00 C ATOM 93 CG ARG A 191 -20.389 -11.865 5.751 1.00 0.00 C ATOM 94 CD ARG A 191 -20.537 -13.217 6.430 1.00 0.00 C ATOM 95 NE ARG A 191 -19.748 -13.304 7.656 1.00 0.00 N ATOM 96 CZ ARG A 191 -20.041 -14.119 8.663 1.00 0.00 C ATOM 97 NH1 ARG A 191 -21.099 -14.915 8.590 1.00 0.00 N ATOM 98 NH2 ARG A 191 -19.275 -14.140 9.746 1.00 0.00 N ATOM 0 H ARG A 191 -19.631 -11.822 2.659 1.00 0.00 H new ATOM 0 HA ARG A 191 -19.594 -9.727 4.528 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -18.869 -12.635 4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -18.257 -11.692 5.802 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -20.491 -11.072 6.491 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -21.192 -11.730 5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -21.587 -13.393 6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -20.226 -14.004 5.743 1.00 0.00 H new ATOM 0 HE ARG A 191 -18.927 -12.706 7.744 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -21.690 -14.902 7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -21.322 -15.540 9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -18.460 -13.530 9.806 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -19.501 -14.766 10.519 1.00 0.00 H new ATOM 112 N THR A 192 -17.280 -8.890 4.846 1.00 0.00 N ATOM 113 CA THR A 192 -15.954 -8.289 4.921 1.00 0.00 C ATOM 114 C THR A 192 -15.357 -8.446 6.315 1.00 0.00 C ATOM 115 O THR A 192 -16.059 -8.318 7.318 1.00 0.00 O ATOM 116 CB THR A 192 -15.993 -6.793 4.558 1.00 0.00 C ATOM 117 OG1 THR A 192 -16.960 -6.117 5.370 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.336 -6.602 3.088 1.00 0.00 C ATOM 0 H THR A 192 -17.997 -8.397 5.378 1.00 0.00 H new ATOM 0 HA THR A 192 -15.329 -8.814 4.199 1.00 0.00 H new ATOM 0 HB THR A 192 -15.005 -6.371 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 192 -16.978 -5.166 5.134 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.358 -5.537 2.855 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.583 -7.093 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.313 -7.038 2.883 1.00 0.00 H new ATOM 126 N GLN A 193 -14.058 -8.724 6.370 1.00 0.00 N ATOM 127 CA GLN A 193 -13.368 -8.898 7.642 1.00 0.00 C ATOM 128 C GLN A 193 -12.463 -7.706 7.938 1.00 0.00 C ATOM 129 O GLN A 193 -11.437 -7.499 7.291 1.00 0.00 O ATOM 130 CB GLN A 193 -12.545 -10.187 7.628 1.00 0.00 C ATOM 131 CG GLN A 193 -13.386 -11.447 7.750 1.00 0.00 C ATOM 132 CD GLN A 193 -14.450 -11.337 8.825 1.00 0.00 C ATOM 133 OE1 GLN A 193 -14.140 -11.203 10.010 1.00 0.00 O ATOM 134 NE2 GLN A 193 -15.712 -11.393 8.418 1.00 0.00 N ATOM 0 H GLN A 193 -13.463 -8.833 5.549 1.00 0.00 H new ATOM 0 HA GLN A 193 -14.120 -8.964 8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.971 -10.232 6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.827 -10.159 8.448 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.863 -11.655 6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -12.736 -12.293 7.973 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -15.924 -11.505 7.426 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -16.470 -11.324 9.097 1.00 0.00 H new ATOM 143 N PRO A 194 -12.850 -6.903 8.940 1.00 0.00 N ATOM 144 CA PRO A 194 -12.088 -5.719 9.345 1.00 0.00 C ATOM 145 C PRO A 194 -10.767 -6.081 10.016 1.00 0.00 C ATOM 146 O PRO A 194 -10.731 -6.416 11.200 1.00 0.00 O ATOM 147 CB PRO A 194 -13.018 -5.020 10.340 1.00 0.00 C ATOM 148 CG PRO A 194 -13.880 -6.109 10.880 1.00 0.00 C ATOM 149 CD PRO A 194 -14.062 -7.090 9.755 1.00 0.00 C ATOM 0 HA PRO A 194 -11.813 -5.100 8.491 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -12.453 -4.531 11.134 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.613 -4.249 9.851 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -13.412 -6.586 11.742 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -14.840 -5.717 11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -14.145 -8.113 10.123 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.967 -6.883 9.183 1.00 0.00 H new ATOM 157 N CYS A 195 -9.682 -6.011 9.251 1.00 0.00 N ATOM 158 CA CYS A 195 -8.358 -6.331 9.771 1.00 0.00 C ATOM 159 C CYS A 195 -8.069 -5.544 11.045 1.00 0.00 C ATOM 160 O CYS A 195 -8.485 -4.393 11.186 1.00 0.00 O ATOM 161 CB CYS A 195 -7.288 -6.032 8.719 1.00 0.00 C ATOM 162 SG CYS A 195 -5.595 -6.455 9.239 1.00 0.00 S ATOM 0 H CYS A 195 -9.694 -5.735 8.269 1.00 0.00 H new ATOM 0 HA CYS A 195 -8.336 -7.394 10.010 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.525 -6.582 7.809 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.326 -4.972 8.469 1.00 0.00 H new ATOM 167 N THR A 196 -7.351 -6.171 11.972 1.00 0.00 N ATOM 168 CA THR A 196 -7.006 -5.530 13.235 1.00 0.00 C ATOM 169 C THR A 196 -5.685 -4.777 13.126 1.00 0.00 C ATOM 170 O THR A 196 -5.439 -3.826 13.868 1.00 0.00 O ATOM 171 CB THR A 196 -6.905 -6.558 14.377 1.00 0.00 C ATOM 172 OG1 THR A 196 -8.172 -7.197 14.574 1.00 0.00 O ATOM 173 CG2 THR A 196 -6.462 -5.890 15.670 1.00 0.00 C ATOM 0 H THR A 196 -6.997 -7.122 11.872 1.00 0.00 H new ATOM 0 HA THR A 196 -7.806 -4.825 13.461 1.00 0.00 H new ATOM 0 HB THR A 196 -6.161 -7.304 14.099 1.00 0.00 H new ATOM 0 HG1 THR A 196 -8.099 -7.851 15.301 1.00 0.00 H new ATOM 0 HG21 THR A 196 -6.398 -6.636 16.462 1.00 0.00 H new ATOM 0 HG22 THR A 196 -5.485 -5.430 15.525 1.00 0.00 H new ATOM 0 HG23 THR A 196 -7.186 -5.125 15.951 1.00 0.00 H new ATOM 181 N TYR A 197 -4.838 -5.209 12.198 1.00 0.00 N ATOM 182 CA TYR A 197 -3.540 -4.576 11.994 1.00 0.00 C ATOM 183 C TYR A 197 -3.699 -3.206 11.341 1.00 0.00 C ATOM 184 O TYR A 197 -3.455 -2.174 11.968 1.00 0.00 O ATOM 185 CB TYR A 197 -2.646 -5.465 11.129 1.00 0.00 C ATOM 186 CG TYR A 197 -2.030 -6.622 11.883 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.827 -7.539 12.557 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.653 -6.797 11.922 1.00 0.00 C ATOM 189 CE1 TYR A 197 -2.269 -8.597 13.248 1.00 0.00 C ATOM 190 CE2 TYR A 197 -0.086 -7.853 12.610 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.898 -8.750 13.271 1.00 0.00 C ATOM 192 OH TYR A 197 -0.338 -9.802 13.958 1.00 0.00 O ATOM 0 H TYR A 197 -5.027 -5.995 11.575 1.00 0.00 H new ATOM 0 HA TYR A 197 -3.072 -4.442 12.969 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -3.232 -5.856 10.297 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.850 -4.857 10.700 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.901 -7.423 12.540 1.00 0.00 H new ATOM 0 HD2 TYR A 197 -0.014 -6.096 11.406 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -2.903 -9.301 13.767 1.00 0.00 H new ATOM 0 HE2 TYR A 197 0.987 -7.975 12.630 1.00 0.00 H new ATOM 0 HH TYR A 197 0.638 -9.766 13.874 1.00 0.00 H new ATOM 202 N CYS A 198 -4.109 -3.204 10.078 1.00 0.00 N ATOM 203 CA CYS A 198 -4.302 -1.963 9.337 1.00 0.00 C ATOM 204 C CYS A 198 -5.614 -1.292 9.732 1.00 0.00 C ATOM 205 O CYS A 198 -5.911 -0.179 9.298 1.00 0.00 O ATOM 206 CB CYS A 198 -4.288 -2.235 7.832 1.00 0.00 C ATOM 207 SG CYS A 198 -5.588 -3.381 7.271 1.00 0.00 S ATOM 0 H CYS A 198 -4.314 -4.049 9.545 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.481 -1.290 9.585 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.399 -1.289 7.302 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.315 -2.643 7.556 1.00 0.00 H new ATOM 212 N THR A 199 -6.398 -1.978 10.558 1.00 0.00 N ATOM 213 CA THR A 199 -7.679 -1.450 11.011 1.00 0.00 C ATOM 214 C THR A 199 -8.524 -0.974 9.835 1.00 0.00 C ATOM 215 O THR A 199 -9.154 0.082 9.897 1.00 0.00 O ATOM 216 CB THR A 199 -7.489 -0.283 11.998 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.874 0.826 11.332 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.633 -0.709 13.181 1.00 0.00 C ATOM 0 H THR A 199 -6.168 -2.901 10.927 1.00 0.00 H new ATOM 0 HA THR A 199 -8.195 -2.265 11.519 1.00 0.00 H new ATOM 0 HB THR A 199 -8.470 0.015 12.368 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.801 0.633 10.374 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.513 0.132 13.864 1.00 0.00 H new ATOM 0 HG22 THR A 199 -7.118 -1.534 13.703 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.654 -1.030 12.825 1.00 0.00 H new ATOM 226 N LYS A 200 -8.535 -1.760 8.763 1.00 0.00 N ATOM 227 CA LYS A 200 -9.304 -1.420 7.573 1.00 0.00 C ATOM 228 C LYS A 200 -10.366 -2.478 7.291 1.00 0.00 C ATOM 229 O LYS A 200 -10.459 -3.480 7.998 1.00 0.00 O ATOM 230 CB LYS A 200 -8.376 -1.279 6.364 1.00 0.00 C ATOM 231 CG LYS A 200 -7.620 0.038 6.327 1.00 0.00 C ATOM 232 CD LYS A 200 -6.998 0.287 4.964 1.00 0.00 C ATOM 233 CE LYS A 200 -5.604 -0.315 4.869 1.00 0.00 C ATOM 234 NZ LYS A 200 -4.617 0.441 5.688 1.00 0.00 N ATOM 0 H LYS A 200 -8.019 -2.637 8.695 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.803 -0.468 7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.659 -2.100 6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -8.965 -1.376 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.299 0.855 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.840 0.032 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -7.634 -0.141 4.189 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -6.946 1.360 4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -5.633 -1.353 5.202 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.282 -0.323 3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -3.714 -0.074 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.470 1.383 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -4.977 0.543 6.658 1.00 0.00 H new ATOM 248 N GLU A 201 -11.164 -2.247 6.253 1.00 0.00 N ATOM 249 CA GLU A 201 -12.219 -3.182 5.878 1.00 0.00 C ATOM 250 C GLU A 201 -11.897 -3.863 4.552 1.00 0.00 C ATOM 251 O GLU A 201 -11.678 -3.200 3.537 1.00 0.00 O ATOM 252 CB GLU A 201 -13.562 -2.456 5.779 1.00 0.00 C ATOM 253 CG GLU A 201 -13.996 -1.797 7.077 1.00 0.00 C ATOM 254 CD GLU A 201 -15.501 -1.642 7.179 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.220 -2.614 6.866 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.959 -0.549 7.572 1.00 0.00 O ATOM 0 H GLU A 201 -11.100 -1.421 5.657 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.284 -3.947 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.498 -1.697 5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.328 -3.167 5.469 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.638 -2.390 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.527 -0.816 7.156 1.00 0.00 H new ATOM 263 N PHE A 202 -11.869 -5.191 4.567 1.00 0.00 N ATOM 264 CA PHE A 202 -11.571 -5.964 3.366 1.00 0.00 C ATOM 265 C PHE A 202 -12.484 -7.182 3.263 1.00 0.00 C ATOM 266 O PHE A 202 -13.010 -7.664 4.266 1.00 0.00 O ATOM 267 CB PHE A 202 -10.107 -6.408 3.369 1.00 0.00 C ATOM 268 CG PHE A 202 -9.140 -5.286 3.123 1.00 0.00 C ATOM 269 CD1 PHE A 202 -8.877 -4.849 1.835 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.493 -4.667 4.181 1.00 0.00 C ATOM 271 CE1 PHE A 202 -7.987 -3.818 1.606 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.602 -3.634 3.958 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.349 -3.208 2.669 1.00 0.00 C ATOM 0 H PHE A 202 -12.049 -5.755 5.397 1.00 0.00 H new ATOM 0 HA PHE A 202 -11.747 -5.326 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -9.878 -6.871 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -9.966 -7.173 2.605 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -9.374 -5.320 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.687 -4.996 5.191 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -7.790 -3.489 0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.104 -3.160 4.791 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.654 -2.400 2.492 1.00 0.00 H new ATOM 283 N VAL A 203 -12.669 -7.674 2.042 1.00 0.00 N ATOM 284 CA VAL A 203 -13.517 -8.836 1.806 1.00 0.00 C ATOM 285 C VAL A 203 -12.811 -10.124 2.216 1.00 0.00 C ATOM 286 O VAL A 203 -11.611 -10.284 1.994 1.00 0.00 O ATOM 287 CB VAL A 203 -13.931 -8.939 0.326 1.00 0.00 C ATOM 288 CG1 VAL A 203 -12.726 -9.264 -0.544 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.024 -9.982 0.150 1.00 0.00 C ATOM 0 H VAL A 203 -12.243 -7.286 1.201 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.410 -8.704 2.416 1.00 0.00 H new ATOM 0 HB VAL A 203 -14.328 -7.974 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -13.038 -9.333 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -11.979 -8.477 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -12.297 -10.215 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -15.304 -10.041 -0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -14.657 -10.953 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -15.895 -9.700 0.742 1.00 0.00 H new ATOM 299 N PHE A 204 -13.565 -11.041 2.814 1.00 0.00 N ATOM 300 CA PHE A 204 -13.011 -12.316 3.255 1.00 0.00 C ATOM 301 C PHE A 204 -12.282 -13.017 2.113 1.00 0.00 C ATOM 302 O PHE A 204 -11.361 -13.803 2.339 1.00 0.00 O ATOM 303 CB PHE A 204 -14.123 -13.219 3.795 1.00 0.00 C ATOM 304 CG PHE A 204 -14.747 -14.094 2.746 1.00 0.00 C ATOM 305 CD1 PHE A 204 -14.194 -15.325 2.433 1.00 0.00 C ATOM 306 CD2 PHE A 204 -15.887 -13.685 2.073 1.00 0.00 C ATOM 307 CE1 PHE A 204 -14.766 -16.132 1.467 1.00 0.00 C ATOM 308 CE2 PHE A 204 -16.464 -14.488 1.107 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.903 -15.713 0.804 1.00 0.00 C ATOM 0 H PHE A 204 -14.560 -10.925 3.004 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.294 -12.116 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.717 -13.848 4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.897 -12.598 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -13.306 -15.658 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -16.330 -12.728 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -14.324 -17.089 1.231 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -17.353 -14.158 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.352 -16.342 0.050 1.00 0.00 H new ATOM 319 N ASP A 205 -12.699 -12.726 0.886 1.00 0.00 N ATOM 320 CA ASP A 205 -12.086 -13.327 -0.293 1.00 0.00 C ATOM 321 C ASP A 205 -10.636 -12.876 -0.441 1.00 0.00 C ATOM 322 O ASP A 205 -9.807 -13.588 -1.009 1.00 0.00 O ATOM 323 CB ASP A 205 -12.878 -12.960 -1.549 1.00 0.00 C ATOM 324 CG ASP A 205 -12.688 -13.967 -2.667 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.414 -15.147 -2.364 1.00 0.00 O ATOM 326 OD2 ASP A 205 -12.815 -13.574 -3.846 1.00 0.00 O ATOM 0 H ASP A 205 -13.459 -12.077 0.682 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.100 -14.410 -0.168 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -13.937 -12.893 -1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -12.568 -11.974 -1.895 1.00 0.00 H new ATOM 331 N THR A 206 -10.336 -11.687 0.073 1.00 0.00 N ATOM 332 CA THR A 206 -8.988 -11.139 -0.004 1.00 0.00 C ATOM 333 C THR A 206 -8.274 -11.246 1.339 1.00 0.00 C ATOM 334 O THR A 206 -7.056 -11.423 1.392 1.00 0.00 O ATOM 335 CB THR A 206 -9.005 -9.664 -0.447 1.00 0.00 C ATOM 336 OG1 THR A 206 -9.676 -8.865 0.534 1.00 0.00 O ATOM 337 CG2 THR A 206 -9.698 -9.511 -1.793 1.00 0.00 C ATOM 0 H THR A 206 -11.009 -11.085 0.547 1.00 0.00 H new ATOM 0 HA THR A 206 -8.450 -11.727 -0.747 1.00 0.00 H new ATOM 0 HB THR A 206 -7.974 -9.326 -0.546 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.279 -9.431 1.060 1.00 0.00 H new ATOM 0 HG21 THR A 206 -9.698 -8.461 -2.085 1.00 0.00 H new ATOM 0 HG22 THR A 206 -9.168 -10.097 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 206 -10.726 -9.866 -1.716 1.00 0.00 H new ATOM 345 N ILE A 207 -9.038 -11.139 2.420 1.00 0.00 N ATOM 346 CA ILE A 207 -8.477 -11.225 3.763 1.00 0.00 C ATOM 347 C ILE A 207 -7.328 -12.226 3.815 1.00 0.00 C ATOM 348 O ILE A 207 -6.394 -12.072 4.601 1.00 0.00 O ATOM 349 CB ILE A 207 -9.546 -11.633 4.794 1.00 0.00 C ATOM 350 CG1 ILE A 207 -9.105 -11.234 6.204 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.809 -13.130 4.720 1.00 0.00 C ATOM 352 CD1 ILE A 207 -9.076 -9.738 6.426 1.00 0.00 C ATOM 0 H ILE A 207 -10.047 -10.993 2.393 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.103 -10.232 4.013 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.473 -11.109 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.780 -11.688 6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -8.112 -11.641 6.394 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.567 -13.403 5.455 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.162 -13.389 3.722 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.887 -13.672 4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.755 -9.528 7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.379 -9.279 5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -10.073 -9.327 6.268 1.00 0.00 H new ATOM 364 N GLN A 208 -7.404 -13.251 2.972 1.00 0.00 N ATOM 365 CA GLN A 208 -6.369 -14.276 2.921 1.00 0.00 C ATOM 366 C GLN A 208 -5.053 -13.698 2.412 1.00 0.00 C ATOM 367 O GLN A 208 -4.042 -13.719 3.113 1.00 0.00 O ATOM 368 CB GLN A 208 -6.812 -15.434 2.025 1.00 0.00 C ATOM 369 CG GLN A 208 -7.624 -16.492 2.754 1.00 0.00 C ATOM 370 CD GLN A 208 -8.496 -17.306 1.819 1.00 0.00 C ATOM 371 OE1 GLN A 208 -8.143 -17.531 0.661 1.00 0.00 O ATOM 372 NE2 GLN A 208 -9.643 -17.752 2.317 1.00 0.00 N ATOM 0 H GLN A 208 -8.171 -13.393 2.315 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.213 -14.648 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.404 -15.038 1.200 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -5.930 -15.902 1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -6.948 -17.160 3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -8.252 -16.010 3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.896 -17.542 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -10.271 -18.305 1.734 1.00 0.00 H new ATOM 381 N SER A 209 -5.074 -13.181 1.187 1.00 0.00 N ATOM 382 CA SER A 209 -3.882 -12.600 0.582 1.00 0.00 C ATOM 383 C SER A 209 -3.496 -11.301 1.281 1.00 0.00 C ATOM 384 O SER A 209 -2.321 -11.057 1.560 1.00 0.00 O ATOM 385 CB SER A 209 -4.115 -12.342 -0.908 1.00 0.00 C ATOM 386 OG SER A 209 -5.196 -11.447 -1.108 1.00 0.00 O ATOM 0 H SER A 209 -5.904 -13.153 0.595 1.00 0.00 H new ATOM 0 HA SER A 209 -3.063 -13.310 0.697 1.00 0.00 H new ATOM 0 HB2 SER A 209 -3.210 -11.930 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 209 -4.320 -13.284 -1.416 1.00 0.00 H new ATOM 0 HG SER A 209 -5.323 -11.297 -2.068 1.00 0.00 H new ATOM 392 N HIS A 210 -4.493 -10.468 1.561 1.00 0.00 N ATOM 393 CA HIS A 210 -4.260 -9.192 2.229 1.00 0.00 C ATOM 394 C HIS A 210 -3.224 -9.342 3.339 1.00 0.00 C ATOM 395 O HIS A 210 -2.265 -8.574 3.413 1.00 0.00 O ATOM 396 CB HIS A 210 -5.567 -8.647 2.804 1.00 0.00 C ATOM 397 CG HIS A 210 -5.367 -7.629 3.885 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.081 -6.305 3.628 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.416 -7.748 5.233 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.960 -5.654 4.771 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.159 -6.506 5.760 1.00 0.00 N ATOM 0 H HIS A 210 -5.470 -10.653 1.336 1.00 0.00 H new ATOM 0 HA HIS A 210 -3.876 -8.488 1.491 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.150 -8.200 1.999 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.154 -9.476 3.201 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -4.979 -5.893 2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.619 -8.651 5.790 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.736 -4.603 4.878 1.00 0.00 H new ATOM 409 N GLN A 211 -3.426 -10.334 4.201 1.00 0.00 N ATOM 410 CA GLN A 211 -2.511 -10.582 5.308 1.00 0.00 C ATOM 411 C GLN A 211 -1.080 -10.221 4.922 1.00 0.00 C ATOM 412 O GLN A 211 -0.321 -9.695 5.737 1.00 0.00 O ATOM 413 CB GLN A 211 -2.581 -12.048 5.737 1.00 0.00 C ATOM 414 CG GLN A 211 -3.804 -12.379 6.577 1.00 0.00 C ATOM 415 CD GLN A 211 -3.763 -13.786 7.140 1.00 0.00 C ATOM 416 OE1 GLN A 211 -3.546 -13.982 8.336 1.00 0.00 O ATOM 417 NE2 GLN A 211 -3.971 -14.774 6.278 1.00 0.00 N ATOM 0 H GLN A 211 -4.215 -10.978 4.154 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.813 -9.951 6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.580 -12.678 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.683 -12.295 6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.880 -11.666 7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.701 -12.261 5.968 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.147 -14.565 5.295 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.955 -15.742 6.598 1.00 0.00 H new ATOM 426 N TYR A 212 -0.719 -10.506 3.676 1.00 0.00 N ATOM 427 CA TYR A 212 0.622 -10.213 3.184 1.00 0.00 C ATOM 428 C TYR A 212 0.761 -8.737 2.824 1.00 0.00 C ATOM 429 O TYR A 212 1.739 -8.087 3.193 1.00 0.00 O ATOM 430 CB TYR A 212 0.940 -11.079 1.963 1.00 0.00 C ATOM 431 CG TYR A 212 1.572 -12.407 2.311 1.00 0.00 C ATOM 432 CD1 TYR A 212 2.922 -12.493 2.630 1.00 0.00 C ATOM 433 CD2 TYR A 212 0.821 -13.576 2.319 1.00 0.00 C ATOM 434 CE1 TYR A 212 3.505 -13.705 2.947 1.00 0.00 C ATOM 435 CE2 TYR A 212 1.395 -14.791 2.637 1.00 0.00 C ATOM 436 CZ TYR A 212 2.737 -14.851 2.950 1.00 0.00 C ATOM 437 OH TYR A 212 3.313 -16.060 3.266 1.00 0.00 O ATOM 0 H TYR A 212 -1.336 -10.939 2.989 1.00 0.00 H new ATOM 0 HA TYR A 212 1.331 -10.442 3.979 1.00 0.00 H new ATOM 0 HB2 TYR A 212 0.020 -11.259 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.610 -10.529 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 212 3.526 -11.597 2.630 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.230 -13.534 2.072 1.00 0.00 H new ATOM 0 HE1 TYR A 212 4.556 -13.755 3.191 1.00 0.00 H new ATOM 0 HE2 TYR A 212 0.796 -15.690 2.641 1.00 0.00 H new ATOM 0 HH TYR A 212 2.635 -16.766 3.223 1.00 0.00 H new ATOM 447 N GLN A 213 -0.226 -8.215 2.103 1.00 0.00 N ATOM 448 CA GLN A 213 -0.215 -6.816 1.693 1.00 0.00 C ATOM 449 C GLN A 213 -0.174 -5.894 2.907 1.00 0.00 C ATOM 450 O GLN A 213 0.616 -4.950 2.957 1.00 0.00 O ATOM 451 CB GLN A 213 -1.446 -6.502 0.841 1.00 0.00 C ATOM 452 CG GLN A 213 -1.415 -7.148 -0.534 1.00 0.00 C ATOM 453 CD GLN A 213 -2.786 -7.219 -1.178 1.00 0.00 C ATOM 454 OE1 GLN A 213 -3.783 -7.500 -0.512 1.00 0.00 O ATOM 455 NE2 GLN A 213 -2.843 -6.964 -2.479 1.00 0.00 N ATOM 0 H GLN A 213 -1.043 -8.740 1.791 1.00 0.00 H new ATOM 0 HA GLN A 213 0.682 -6.645 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.339 -6.836 1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.530 -5.422 0.724 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -0.743 -6.584 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -1.005 -8.155 -0.449 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -1.991 -6.735 -2.992 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -3.738 -6.997 -2.966 1.00 0.00 H new ATOM 464 N CYS A 214 -1.030 -6.172 3.885 1.00 0.00 N ATOM 465 CA CYS A 214 -1.092 -5.368 5.099 1.00 0.00 C ATOM 466 C CYS A 214 0.291 -4.849 5.480 1.00 0.00 C ATOM 467 O CYS A 214 1.213 -5.615 5.761 1.00 0.00 O ATOM 468 CB CYS A 214 -1.676 -6.189 6.251 1.00 0.00 C ATOM 469 SG CYS A 214 -2.339 -5.185 7.619 1.00 0.00 S ATOM 0 H CYS A 214 -1.691 -6.949 3.860 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.740 -4.514 4.905 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.471 -6.825 5.863 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.902 -6.849 6.641 1.00 0.00 H new ATOM 474 N PRO A 215 0.441 -3.516 5.491 1.00 0.00 N ATOM 475 CA PRO A 215 1.708 -2.865 5.836 1.00 0.00 C ATOM 476 C PRO A 215 2.052 -3.013 7.314 1.00 0.00 C ATOM 477 O PRO A 215 3.158 -3.426 7.666 1.00 0.00 O ATOM 478 CB PRO A 215 1.457 -1.395 5.491 1.00 0.00 C ATOM 479 CG PRO A 215 -0.019 -1.229 5.593 1.00 0.00 C ATOM 480 CD PRO A 215 -0.614 -2.542 5.167 1.00 0.00 C ATOM 0 HA PRO A 215 2.550 -3.305 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 215 1.979 -0.732 6.181 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.814 -1.157 4.489 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.314 -0.979 6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.366 -0.418 4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.538 -2.757 5.704 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.854 -2.548 4.104 1.00 0.00 H new ATOM 488 N ARG A 216 1.098 -2.676 8.176 1.00 0.00 N ATOM 489 CA ARG A 216 1.301 -2.771 9.617 1.00 0.00 C ATOM 490 C ARG A 216 2.096 -4.024 9.972 1.00 0.00 C ATOM 491 O ARG A 216 2.857 -4.036 10.940 1.00 0.00 O ATOM 492 CB ARG A 216 -0.045 -2.784 10.343 1.00 0.00 C ATOM 493 CG ARG A 216 -0.732 -1.429 10.376 1.00 0.00 C ATOM 494 CD ARG A 216 -0.107 -0.512 11.416 1.00 0.00 C ATOM 495 NE ARG A 216 -1.076 0.428 11.970 1.00 0.00 N ATOM 496 CZ ARG A 216 -0.742 1.591 12.519 1.00 0.00 C ATOM 497 NH1 ARG A 216 0.532 1.954 12.585 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.682 2.394 13.001 1.00 0.00 N ATOM 0 H ARG A 216 0.177 -2.335 7.902 1.00 0.00 H new ATOM 0 HA ARG A 216 1.870 -1.898 9.938 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.703 -3.504 9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.107 -3.130 11.365 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.667 -0.963 9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.791 -1.562 10.596 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.316 -1.113 12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.716 0.041 10.964 1.00 0.00 H new ATOM 0 HE ARG A 216 -2.064 0.178 11.934 1.00 0.00 H new ATOM 0 HH11 ARG A 216 1.257 1.340 12.214 1.00 0.00 H new ATOM 0 HH12 ARG A 216 0.787 2.847 13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -2.663 2.119 12.950 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -1.424 3.286 13.422 1.00 0.00 H new ATOM 512 N LEU A 217 1.912 -5.078 9.184 1.00 0.00 N ATOM 513 CA LEU A 217 2.611 -6.337 9.415 1.00 0.00 C ATOM 514 C LEU A 217 4.118 -6.118 9.490 1.00 0.00 C ATOM 515 O LEU A 217 4.712 -5.426 8.662 1.00 0.00 O ATOM 516 CB LEU A 217 2.284 -7.336 8.303 1.00 0.00 C ATOM 517 CG LEU A 217 2.779 -8.767 8.520 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.736 -9.585 9.266 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.120 -9.420 7.188 1.00 0.00 C ATOM 0 H LEU A 217 1.285 -5.085 8.380 1.00 0.00 H new ATOM 0 HA LEU A 217 2.274 -6.741 10.369 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.202 -7.363 8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.708 -6.963 7.371 1.00 0.00 H new ATOM 0 HG LEU A 217 3.684 -8.731 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.105 -10.600 9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.540 -9.128 10.236 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.814 -9.614 8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.471 -10.438 7.361 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.232 -9.444 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.902 -8.846 6.691 1.00 0.00 H new ATOM 531 N PRO A 218 4.755 -6.722 10.504 1.00 0.00 N ATOM 532 CA PRO A 218 6.202 -6.610 10.710 1.00 0.00 C ATOM 533 C PRO A 218 6.999 -7.349 9.640 1.00 0.00 C ATOM 534 O PRO A 218 6.714 -8.506 9.328 1.00 0.00 O ATOM 535 CB PRO A 218 6.417 -7.258 12.080 1.00 0.00 C ATOM 536 CG PRO A 218 5.274 -8.200 12.237 1.00 0.00 C ATOM 537 CD PRO A 218 4.111 -7.562 11.528 1.00 0.00 C ATOM 0 HA PRO A 218 6.542 -5.576 10.654 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.371 -7.783 12.124 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.427 -6.511 12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.508 -9.173 11.805 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.046 -8.365 13.290 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.454 -8.308 11.081 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.501 -6.969 12.209 1.00 0.00 H new ATOM 545 N VAL A 219 7.998 -6.674 9.081 1.00 0.00 N ATOM 546 CA VAL A 219 8.838 -7.268 8.047 1.00 0.00 C ATOM 547 C VAL A 219 10.316 -7.125 8.390 1.00 0.00 C ATOM 548 O VAL A 219 10.737 -6.120 8.963 1.00 0.00 O ATOM 549 CB VAL A 219 8.576 -6.624 6.673 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.132 -6.841 6.248 1.00 0.00 C ATOM 551 CG2 VAL A 219 8.913 -5.141 6.708 1.00 0.00 C ATOM 0 H VAL A 219 8.246 -5.715 9.327 1.00 0.00 H new ATOM 0 HA VAL A 219 8.580 -8.326 7.999 1.00 0.00 H new ATOM 0 HB VAL A 219 9.222 -7.103 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 219 6.966 -6.379 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 219 6.929 -7.910 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.465 -6.390 6.983 1.00 0.00 H new ATOM 0 HG21 VAL A 219 8.722 -4.701 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.294 -4.645 7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 219 9.965 -5.013 6.965 1.00 0.00 H new ATOM 561 N ALA A 220 11.101 -8.138 8.036 1.00 0.00 N ATOM 562 CA ALA A 220 12.534 -8.124 8.304 1.00 0.00 C ATOM 563 C ALA A 220 13.276 -7.275 7.277 1.00 0.00 C ATOM 564 O ALA A 220 12.976 -7.323 6.084 1.00 0.00 O ATOM 565 CB ALA A 220 13.082 -9.543 8.314 1.00 0.00 C ATOM 0 H ALA A 220 10.769 -8.978 7.563 1.00 0.00 H new ATOM 0 HA ALA A 220 12.691 -7.679 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.153 -9.518 8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.580 -10.121 9.090 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.906 -10.008 7.344 1.00 0.00 H new ATOM 571 N CYS A 221 14.245 -6.498 7.748 1.00 0.00 N ATOM 572 CA CYS A 221 15.030 -5.637 6.872 1.00 0.00 C ATOM 573 C CYS A 221 15.758 -6.459 5.811 1.00 0.00 C ATOM 574 O CYS A 221 16.349 -7.501 6.095 1.00 0.00 O ATOM 575 CB CYS A 221 16.041 -4.829 7.688 1.00 0.00 C ATOM 576 SG CYS A 221 17.248 -3.911 6.678 1.00 0.00 S ATOM 0 H CYS A 221 14.506 -6.447 8.733 1.00 0.00 H new ATOM 0 HA CYS A 221 14.347 -4.952 6.371 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.501 -4.124 8.320 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.579 -5.505 8.352 1.00 0.00 H new ATOM 581 N PRO A 222 15.714 -5.980 4.559 1.00 0.00 N ATOM 582 CA PRO A 222 16.364 -6.654 3.431 1.00 0.00 C ATOM 583 C PRO A 222 17.885 -6.581 3.511 1.00 0.00 C ATOM 584 O PRO A 222 18.583 -7.494 3.072 1.00 0.00 O ATOM 585 CB PRO A 222 15.854 -5.879 2.214 1.00 0.00 C ATOM 586 CG PRO A 222 15.511 -4.529 2.741 1.00 0.00 C ATOM 587 CD PRO A 222 15.027 -4.744 4.148 1.00 0.00 C ATOM 0 HA PRO A 222 16.132 -7.719 3.403 1.00 0.00 H new ATOM 0 HB2 PRO A 222 16.615 -5.819 1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 222 14.984 -6.364 1.772 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.380 -3.871 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 222 14.741 -4.056 2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.286 -3.906 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 222 13.943 -4.854 4.188 1.00 0.00 H new ATOM 595 N ASN A 223 18.392 -5.489 4.074 1.00 0.00 N ATOM 596 CA ASN A 223 19.831 -5.297 4.211 1.00 0.00 C ATOM 597 C ASN A 223 20.384 -6.133 5.361 1.00 0.00 C ATOM 598 O ASN A 223 21.582 -6.409 5.420 1.00 0.00 O ATOM 599 CB ASN A 223 20.150 -3.819 4.440 1.00 0.00 C ATOM 600 CG ASN A 223 20.354 -3.063 3.142 1.00 0.00 C ATOM 601 OD1 ASN A 223 21.165 -3.456 2.303 1.00 0.00 O ATOM 602 ND2 ASN A 223 19.618 -1.971 2.971 1.00 0.00 N ATOM 0 H ASN A 223 17.828 -4.724 4.443 1.00 0.00 H new ATOM 0 HA ASN A 223 20.306 -5.625 3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.338 -3.358 5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.049 -3.735 5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 223 19.713 -1.421 2.117 1.00 0.00 H new ATOM 0 HD22 ASN A 223 18.958 -1.682 3.693 1.00 0.00 H new ATOM 609 N GLN A 224 19.503 -6.533 6.272 1.00 0.00 N ATOM 610 CA GLN A 224 19.904 -7.338 7.420 1.00 0.00 C ATOM 611 C GLN A 224 20.930 -6.598 8.271 1.00 0.00 C ATOM 612 O GLN A 224 22.008 -7.121 8.557 1.00 0.00 O ATOM 613 CB GLN A 224 20.479 -8.677 6.956 1.00 0.00 C ATOM 614 CG GLN A 224 19.527 -9.478 6.082 1.00 0.00 C ATOM 615 CD GLN A 224 18.393 -10.101 6.872 1.00 0.00 C ATOM 616 OE1 GLN A 224 17.643 -9.405 7.558 1.00 0.00 O ATOM 617 NE2 GLN A 224 18.261 -11.419 6.780 1.00 0.00 N ATOM 0 H GLN A 224 18.508 -6.313 6.238 1.00 0.00 H new ATOM 0 HA GLN A 224 19.019 -7.523 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.401 -8.495 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 224 20.744 -9.272 7.830 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.113 -8.828 5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 224 20.083 -10.264 5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 224 18.905 -11.957 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 224 17.516 -11.894 7.289 1.00 0.00 H new ATOM 626 N CYS A 225 20.589 -5.378 8.674 1.00 0.00 N ATOM 627 CA CYS A 225 21.481 -4.565 9.492 1.00 0.00 C ATOM 628 C CYS A 225 21.477 -5.044 10.941 1.00 0.00 C ATOM 629 O CYS A 225 22.531 -5.272 11.533 1.00 0.00 O ATOM 630 CB CYS A 225 21.066 -3.094 9.427 1.00 0.00 C ATOM 631 SG CYS A 225 19.297 -2.805 9.752 1.00 0.00 S ATOM 0 H CYS A 225 19.701 -4.931 8.447 1.00 0.00 H new ATOM 0 HA CYS A 225 22.492 -4.668 9.097 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.654 -2.529 10.150 1.00 0.00 H new ATOM 0 HB3 CYS A 225 21.312 -2.701 8.440 1.00 0.00 H new ATOM 636 N GLY A 226 20.283 -5.193 11.506 1.00 0.00 N ATOM 637 CA GLY A 226 20.164 -5.643 12.880 1.00 0.00 C ATOM 638 C GLY A 226 18.817 -5.303 13.487 1.00 0.00 C ATOM 639 O GLY A 226 18.309 -6.033 14.338 1.00 0.00 O ATOM 0 H GLY A 226 19.396 -5.010 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 226 20.315 -6.722 12.920 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.954 -5.188 13.478 1.00 0.00 H new ATOM 643 N VAL A 227 18.237 -4.189 13.050 1.00 0.00 N ATOM 644 CA VAL A 227 16.942 -3.753 13.556 1.00 0.00 C ATOM 645 C VAL A 227 16.002 -4.936 13.755 1.00 0.00 C ATOM 646 O VAL A 227 15.080 -4.881 14.568 1.00 0.00 O ATOM 647 CB VAL A 227 16.280 -2.739 12.604 1.00 0.00 C ATOM 648 CG1 VAL A 227 16.178 -3.314 11.199 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.908 -2.337 13.125 1.00 0.00 C ATOM 0 H VAL A 227 18.644 -3.573 12.347 1.00 0.00 H new ATOM 0 HA VAL A 227 17.124 -3.273 14.517 1.00 0.00 H new ATOM 0 HB VAL A 227 16.903 -1.846 12.561 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.708 -2.584 10.540 1.00 0.00 H new ATOM 0 HG12 VAL A 227 17.176 -3.548 10.828 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.577 -4.223 11.221 1.00 0.00 H new ATOM 0 HG21 VAL A 227 14.455 -1.620 12.440 1.00 0.00 H new ATOM 0 HG22 VAL A 227 14.274 -3.220 13.198 1.00 0.00 H new ATOM 0 HG23 VAL A 227 15.012 -1.882 14.110 1.00 0.00 H new ATOM 659 N GLY A 228 16.242 -6.008 13.005 1.00 0.00 N ATOM 660 CA GLY A 228 15.409 -7.191 13.114 1.00 0.00 C ATOM 661 C GLY A 228 14.107 -7.055 12.350 1.00 0.00 C ATOM 662 O GLY A 228 14.044 -7.352 11.156 1.00 0.00 O ATOM 0 H GLY A 228 16.998 -6.078 12.324 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.958 -8.054 12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 228 15.192 -7.383 14.165 1.00 0.00 H new ATOM 666 N THR A 229 13.062 -6.606 13.039 1.00 0.00 N ATOM 667 CA THR A 229 11.755 -6.434 12.419 1.00 0.00 C ATOM 668 C THR A 229 11.309 -4.977 12.469 1.00 0.00 C ATOM 669 O THR A 229 11.625 -4.254 13.413 1.00 0.00 O ATOM 670 CB THR A 229 10.688 -7.309 13.105 1.00 0.00 C ATOM 671 OG1 THR A 229 10.683 -7.059 14.515 1.00 0.00 O ATOM 672 CG2 THR A 229 10.951 -8.785 12.847 1.00 0.00 C ATOM 0 H THR A 229 13.096 -6.355 14.027 1.00 0.00 H new ATOM 0 HA THR A 229 11.856 -6.745 11.379 1.00 0.00 H new ATOM 0 HB THR A 229 9.715 -7.052 12.687 1.00 0.00 H new ATOM 0 HG1 THR A 229 10.001 -7.617 14.944 1.00 0.00 H new ATOM 0 HG21 THR A 229 10.185 -9.383 13.341 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.925 -8.977 11.774 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.931 -9.054 13.241 1.00 0.00 H new ATOM 680 N VAL A 230 10.573 -4.553 11.447 1.00 0.00 N ATOM 681 CA VAL A 230 10.083 -3.181 11.376 1.00 0.00 C ATOM 682 C VAL A 230 8.875 -3.077 10.452 1.00 0.00 C ATOM 683 O VAL A 230 8.898 -3.572 9.325 1.00 0.00 O ATOM 684 CB VAL A 230 11.179 -2.219 10.881 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.615 -2.586 9.471 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.688 -0.780 10.938 1.00 0.00 C ATOM 0 H VAL A 230 10.303 -5.139 10.657 1.00 0.00 H new ATOM 0 HA VAL A 230 9.790 -2.896 12.386 1.00 0.00 H new ATOM 0 HB VAL A 230 12.044 -2.311 11.538 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.390 -1.895 9.138 1.00 0.00 H new ATOM 0 HG12 VAL A 230 12.008 -3.603 9.465 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.760 -2.524 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.474 -0.113 10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.808 -0.671 10.305 1.00 0.00 H new ATOM 0 HG23 VAL A 230 10.430 -0.524 11.966 1.00 0.00 H new ATOM 696 N ALA A 231 7.821 -2.429 10.936 1.00 0.00 N ATOM 697 CA ALA A 231 6.603 -2.257 10.153 1.00 0.00 C ATOM 698 C ALA A 231 6.927 -1.954 8.694 1.00 0.00 C ATOM 699 O ALA A 231 7.857 -1.203 8.398 1.00 0.00 O ATOM 700 CB ALA A 231 5.746 -1.150 10.747 1.00 0.00 C ATOM 0 H ALA A 231 7.786 -2.014 11.867 1.00 0.00 H new ATOM 0 HA ALA A 231 6.043 -3.192 10.187 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.840 -1.032 10.152 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.477 -1.408 11.771 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.306 -0.215 10.744 1.00 0.00 H new ATOM 706 N ARG A 232 6.156 -2.543 7.787 1.00 0.00 N ATOM 707 CA ARG A 232 6.363 -2.337 6.358 1.00 0.00 C ATOM 708 C ARG A 232 6.384 -0.849 6.021 1.00 0.00 C ATOM 709 O ARG A 232 7.239 -0.387 5.266 1.00 0.00 O ATOM 710 CB ARG A 232 5.265 -3.037 5.556 1.00 0.00 C ATOM 711 CG ARG A 232 5.319 -2.745 4.065 1.00 0.00 C ATOM 712 CD ARG A 232 6.140 -3.787 3.323 1.00 0.00 C ATOM 713 NE ARG A 232 6.710 -3.257 2.087 1.00 0.00 N ATOM 714 CZ ARG A 232 7.221 -4.019 1.127 1.00 0.00 C ATOM 715 NH1 ARG A 232 7.232 -5.338 1.258 1.00 0.00 N ATOM 716 NH2 ARG A 232 7.721 -3.462 0.031 1.00 0.00 N ATOM 0 H ARG A 232 5.382 -3.167 8.015 1.00 0.00 H new ATOM 0 HA ARG A 232 7.329 -2.766 6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.344 -4.113 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.293 -2.731 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 232 4.307 -2.722 3.661 1.00 0.00 H new ATOM 0 HG3 ARG A 232 5.750 -1.757 3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 232 6.943 -4.143 3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 232 5.511 -4.647 3.093 1.00 0.00 H new ATOM 0 HE ARG A 232 6.716 -2.246 1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 232 6.847 -5.770 2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 232 7.625 -5.921 0.519 1.00 0.00 H new ATOM 0 HH21 ARG A 232 7.713 -2.448 -0.075 1.00 0.00 H new ATOM 0 HH22 ARG A 232 8.113 -4.048 -0.706 1.00 0.00 H new ATOM 730 N GLU A 233 5.438 -0.106 6.586 1.00 0.00 N ATOM 731 CA GLU A 233 5.348 1.329 6.344 1.00 0.00 C ATOM 732 C GLU A 233 6.441 2.078 7.101 1.00 0.00 C ATOM 733 O GLU A 233 6.548 3.301 7.010 1.00 0.00 O ATOM 734 CB GLU A 233 3.973 1.854 6.760 1.00 0.00 C ATOM 735 CG GLU A 233 3.723 1.785 8.258 1.00 0.00 C ATOM 736 CD GLU A 233 2.374 2.357 8.650 1.00 0.00 C ATOM 737 OE1 GLU A 233 2.211 3.593 8.585 1.00 0.00 O ATOM 738 OE2 GLU A 233 1.481 1.567 9.023 1.00 0.00 O ATOM 0 H GLU A 233 4.723 -0.474 7.214 1.00 0.00 H new ATOM 0 HA GLU A 233 5.486 1.501 5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 233 3.873 2.888 6.431 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.203 1.280 6.245 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.783 0.747 8.585 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.510 2.329 8.780 1.00 0.00 H new ATOM 745 N ASP A 234 7.250 1.335 7.849 1.00 0.00 N ATOM 746 CA ASP A 234 8.335 1.928 8.622 1.00 0.00 C ATOM 747 C ASP A 234 9.685 1.638 7.974 1.00 0.00 C ATOM 748 O ASP A 234 10.659 2.360 8.194 1.00 0.00 O ATOM 749 CB ASP A 234 8.319 1.395 10.056 1.00 0.00 C ATOM 750 CG ASP A 234 7.297 2.102 10.924 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.307 2.624 10.370 1.00 0.00 O ATOM 752 OD2 ASP A 234 7.487 2.134 12.158 1.00 0.00 O ATOM 0 H ASP A 234 7.175 0.322 7.936 1.00 0.00 H new ATOM 0 HA ASP A 234 8.186 3.008 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 234 8.102 0.327 10.041 1.00 0.00 H new ATOM 0 HB3 ASP A 234 9.309 1.513 10.496 1.00 0.00 H new ATOM 757 N LEU A 235 9.737 0.577 7.176 1.00 0.00 N ATOM 758 CA LEU A 235 10.969 0.191 6.496 1.00 0.00 C ATOM 759 C LEU A 235 11.530 1.353 5.683 1.00 0.00 C ATOM 760 O LEU A 235 12.730 1.626 5.692 1.00 0.00 O ATOM 761 CB LEU A 235 10.715 -1.010 5.583 1.00 0.00 C ATOM 762 CG LEU A 235 11.920 -1.908 5.304 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.396 -2.575 6.586 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.575 -2.953 4.253 1.00 0.00 C ATOM 0 H LEU A 235 8.941 -0.031 6.984 1.00 0.00 H new ATOM 0 HA LEU A 235 11.702 -0.085 7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 235 9.929 -1.619 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.333 -0.642 4.631 1.00 0.00 H new ATOM 0 HG LEU A 235 12.730 -1.288 4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.254 -3.211 6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.684 -1.811 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.591 -3.182 7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.445 -3.583 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 235 10.750 -3.569 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.283 -2.456 3.328 1.00 0.00 H new ATOM 776 N PRO A 236 10.642 2.056 4.965 1.00 0.00 N ATOM 777 CA PRO A 236 11.025 3.203 4.136 1.00 0.00 C ATOM 778 C PRO A 236 11.926 4.182 4.881 1.00 0.00 C ATOM 779 O PRO A 236 13.072 4.405 4.493 1.00 0.00 O ATOM 780 CB PRO A 236 9.685 3.860 3.798 1.00 0.00 C ATOM 781 CG PRO A 236 8.689 2.755 3.883 1.00 0.00 C ATOM 782 CD PRO A 236 9.195 1.787 4.908 1.00 0.00 C ATOM 0 HA PRO A 236 11.599 2.899 3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.449 4.661 4.499 1.00 0.00 H new ATOM 0 HB3 PRO A 236 9.701 4.303 2.802 1.00 0.00 H new ATOM 0 HG2 PRO A 236 7.709 3.140 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 236 8.572 2.266 2.916 1.00 0.00 H new ATOM 0 HD2 PRO A 236 8.721 1.946 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 236 8.991 0.756 4.619 1.00 0.00 H new ATOM 790 N GLY A 237 11.399 4.765 5.954 1.00 0.00 N ATOM 791 CA GLY A 237 12.170 5.713 6.737 1.00 0.00 C ATOM 792 C GLY A 237 13.433 5.102 7.309 1.00 0.00 C ATOM 793 O GLY A 237 14.437 5.791 7.493 1.00 0.00 O ATOM 0 H GLY A 237 10.452 4.598 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.434 6.566 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.553 6.093 7.551 1.00 0.00 H new ATOM 797 N HIS A 238 13.385 3.804 7.593 1.00 0.00 N ATOM 798 CA HIS A 238 14.534 3.099 8.149 1.00 0.00 C ATOM 799 C HIS A 238 15.662 3.007 7.125 1.00 0.00 C ATOM 800 O HIS A 238 16.795 3.406 7.397 1.00 0.00 O ATOM 801 CB HIS A 238 14.128 1.698 8.606 1.00 0.00 C ATOM 802 CG HIS A 238 15.274 0.735 8.675 1.00 0.00 C ATOM 803 ND1 HIS A 238 16.057 0.577 9.799 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.766 -0.123 7.752 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.982 -0.336 9.563 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.827 -0.777 8.328 1.00 0.00 N ATOM 0 H HIS A 238 12.562 3.219 7.447 1.00 0.00 H new ATOM 0 HA HIS A 238 14.893 3.663 9.010 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.662 1.766 9.589 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.375 1.306 7.922 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.940 1.086 10.675 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.393 -0.267 6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.737 -0.666 10.261 1.00 0.00 H new ATOM 814 N LEU A 239 15.345 2.477 5.949 1.00 0.00 N ATOM 815 CA LEU A 239 16.331 2.331 4.885 1.00 0.00 C ATOM 816 C LEU A 239 16.984 3.670 4.559 1.00 0.00 C ATOM 817 O LEU A 239 18.141 3.725 4.142 1.00 0.00 O ATOM 818 CB LEU A 239 15.675 1.752 3.630 1.00 0.00 C ATOM 819 CG LEU A 239 15.321 0.265 3.683 1.00 0.00 C ATOM 820 CD1 LEU A 239 14.419 -0.110 2.517 1.00 0.00 C ATOM 821 CD2 LEU A 239 16.583 -0.584 3.678 1.00 0.00 C ATOM 0 H LEU A 239 14.412 2.141 5.708 1.00 0.00 H new ATOM 0 HA LEU A 239 17.104 1.646 5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 239 14.764 2.315 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 239 16.345 1.916 2.786 1.00 0.00 H new ATOM 0 HG LEU A 239 14.781 0.072 4.610 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.177 -1.172 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 239 13.500 0.474 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 239 14.932 0.098 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.312 -1.639 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.150 -0.388 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.193 -0.335 4.546 1.00 0.00 H new ATOM 833 N LYS A 240 16.235 4.750 4.755 1.00 0.00 N ATOM 834 CA LYS A 240 16.740 6.091 4.486 1.00 0.00 C ATOM 835 C LYS A 240 18.056 6.334 5.218 1.00 0.00 C ATOM 836 O LYS A 240 19.108 6.474 4.594 1.00 0.00 O ATOM 837 CB LYS A 240 15.709 7.141 4.908 1.00 0.00 C ATOM 838 CG LYS A 240 16.203 8.570 4.766 1.00 0.00 C ATOM 839 CD LYS A 240 15.893 9.133 3.389 1.00 0.00 C ATOM 840 CE LYS A 240 14.495 9.729 3.332 1.00 0.00 C ATOM 841 NZ LYS A 240 14.390 10.977 4.138 1.00 0.00 N ATOM 0 H LYS A 240 15.275 4.722 5.099 1.00 0.00 H new ATOM 0 HA LYS A 240 16.919 6.176 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 240 14.808 7.015 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 240 15.427 6.964 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.737 9.194 5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 240 17.279 8.603 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 240 16.626 9.898 3.134 1.00 0.00 H new ATOM 0 HD3 LYS A 240 15.984 8.343 2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 240 14.234 9.943 2.296 1.00 0.00 H new ATOM 0 HE3 LYS A 240 13.774 8.998 3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 13.577 11.536 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 14.259 10.733 5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 15.261 11.535 4.029 1.00 0.00 H new ATOM 855 N ASP A 241 17.990 6.381 6.544 1.00 0.00 N ATOM 856 CA ASP A 241 19.178 6.604 7.361 1.00 0.00 C ATOM 857 C ASP A 241 19.398 5.444 8.327 1.00 0.00 C ATOM 858 O ASP A 241 20.490 4.881 8.398 1.00 0.00 O ATOM 859 CB ASP A 241 19.049 7.915 8.139 1.00 0.00 C ATOM 860 CG ASP A 241 20.340 8.307 8.829 1.00 0.00 C ATOM 861 OD1 ASP A 241 21.350 8.514 8.124 1.00 0.00 O ATOM 862 OD2 ASP A 241 20.341 8.407 10.074 1.00 0.00 O ATOM 0 H ASP A 241 17.127 6.268 7.076 1.00 0.00 H new ATOM 0 HA ASP A 241 20.040 6.668 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.748 8.711 7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.258 7.817 8.883 1.00 0.00 H new ATOM 867 N SER A 242 18.353 5.093 9.070 1.00 0.00 N ATOM 868 CA SER A 242 18.434 4.004 10.036 1.00 0.00 C ATOM 869 C SER A 242 19.392 2.919 9.553 1.00 0.00 C ATOM 870 O SER A 242 20.475 2.738 10.111 1.00 0.00 O ATOM 871 CB SER A 242 17.047 3.404 10.278 1.00 0.00 C ATOM 872 OG SER A 242 16.999 2.712 11.513 1.00 0.00 O ATOM 0 H SER A 242 17.441 5.547 9.021 1.00 0.00 H new ATOM 0 HA SER A 242 18.815 4.410 10.973 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.299 4.196 10.272 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.796 2.722 9.466 1.00 0.00 H new ATOM 0 HG SER A 242 16.091 2.757 11.878 1.00 0.00 H new ATOM 878 N CYS A 243 18.986 2.201 8.512 1.00 0.00 N ATOM 879 CA CYS A 243 19.806 1.133 7.952 1.00 0.00 C ATOM 880 C CYS A 243 21.208 1.639 7.625 1.00 0.00 C ATOM 881 O CYS A 243 21.429 2.842 7.492 1.00 0.00 O ATOM 882 CB CYS A 243 19.150 0.565 6.693 1.00 0.00 C ATOM 883 SG CYS A 243 19.653 -1.141 6.297 1.00 0.00 S ATOM 0 H CYS A 243 18.093 2.339 8.038 1.00 0.00 H new ATOM 0 HA CYS A 243 19.889 0.343 8.698 1.00 0.00 H new ATOM 0 HB2 CYS A 243 18.067 0.594 6.816 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.392 1.209 5.848 1.00 0.00 H new ATOM 888 N ASN A 244 22.151 0.711 7.495 1.00 0.00 N ATOM 889 CA ASN A 244 23.531 1.063 7.183 1.00 0.00 C ATOM 890 C ASN A 244 23.826 0.846 5.702 1.00 0.00 C ATOM 891 O ASN A 244 23.655 -0.255 5.177 1.00 0.00 O ATOM 892 CB ASN A 244 24.495 0.233 8.033 1.00 0.00 C ATOM 893 CG ASN A 244 24.291 0.454 9.520 1.00 0.00 C ATOM 894 OD1 ASN A 244 24.333 1.585 10.002 1.00 0.00 O ATOM 895 ND2 ASN A 244 24.069 -0.631 10.254 1.00 0.00 N ATOM 0 H ASN A 244 21.984 -0.290 7.601 1.00 0.00 H new ATOM 0 HA ASN A 244 23.671 2.119 7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 244 24.360 -0.824 7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 244 25.521 0.488 7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 244 23.925 -0.545 11.260 1.00 0.00 H new ATOM 0 HD22 ASN A 244 24.043 -1.550 9.811 1.00 0.00 H new ATOM 902 N THR A 245 24.272 1.904 5.032 1.00 0.00 N ATOM 903 CA THR A 245 24.591 1.831 3.612 1.00 0.00 C ATOM 904 C THR A 245 25.996 1.282 3.391 1.00 0.00 C ATOM 905 O THR A 245 26.896 1.512 4.198 1.00 0.00 O ATOM 906 CB THR A 245 24.480 3.212 2.939 1.00 0.00 C ATOM 907 OG1 THR A 245 25.371 4.138 3.571 1.00 0.00 O ATOM 908 CG2 THR A 245 23.055 3.738 3.015 1.00 0.00 C ATOM 0 H THR A 245 24.420 2.822 5.451 1.00 0.00 H new ATOM 0 HA THR A 245 23.865 1.155 3.160 1.00 0.00 H new ATOM 0 HB THR A 245 24.754 3.104 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 245 25.296 5.013 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 245 23.001 4.714 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 245 22.384 3.045 2.507 1.00 0.00 H new ATOM 0 HG23 THR A 245 22.757 3.832 4.059 1.00 0.00 H new ATOM 916 N ALA A 246 26.177 0.556 2.293 1.00 0.00 N ATOM 917 CA ALA A 246 27.474 -0.023 1.965 1.00 0.00 C ATOM 918 C ALA A 246 28.389 1.011 1.317 1.00 0.00 C ATOM 919 O ALA A 246 27.953 2.109 0.969 1.00 0.00 O ATOM 920 CB ALA A 246 27.299 -1.224 1.048 1.00 0.00 C ATOM 0 H ALA A 246 25.442 0.355 1.615 1.00 0.00 H new ATOM 0 HA ALA A 246 27.942 -0.353 2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 246 28.276 -1.646 0.811 1.00 0.00 H new ATOM 0 HB2 ALA A 246 26.689 -1.977 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 246 26.807 -0.910 0.128 1.00 0.00 H new ATOM 926 N LEU A 247 29.659 0.654 1.159 1.00 0.00 N ATOM 927 CA LEU A 247 30.636 1.551 0.554 1.00 0.00 C ATOM 928 C LEU A 247 30.344 1.754 -0.930 1.00 0.00 C ATOM 929 O LEU A 247 30.669 0.905 -1.759 1.00 0.00 O ATOM 930 CB LEU A 247 32.050 0.995 0.735 1.00 0.00 C ATOM 931 CG LEU A 247 33.188 2.012 0.649 1.00 0.00 C ATOM 932 CD1 LEU A 247 33.170 2.721 -0.696 1.00 0.00 C ATOM 933 CD2 LEU A 247 33.089 3.020 1.786 1.00 0.00 C ATOM 0 H LEU A 247 30.036 -0.251 1.442 1.00 0.00 H new ATOM 0 HA LEU A 247 30.565 2.516 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 247 32.103 0.502 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 247 32.217 0.228 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 247 34.134 1.479 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 247 33.987 3.441 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU A 247 33.289 1.989 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 247 32.221 3.242 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 247 33.907 3.736 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 247 32.137 3.548 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 247 33.152 2.498 2.741 1.00 0.00 H new ATOM 945 N VAL A 248 29.729 2.887 -1.257 1.00 0.00 N ATOM 946 CA VAL A 248 29.395 3.203 -2.640 1.00 0.00 C ATOM 947 C VAL A 248 30.208 4.391 -3.143 1.00 0.00 C ATOM 948 O VAL A 248 30.425 5.360 -2.417 1.00 0.00 O ATOM 949 CB VAL A 248 27.896 3.518 -2.798 1.00 0.00 C ATOM 950 CG1 VAL A 248 27.540 4.804 -2.067 1.00 0.00 C ATOM 951 CG2 VAL A 248 27.523 3.611 -4.270 1.00 0.00 C ATOM 0 H VAL A 248 29.452 3.601 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 248 29.638 2.322 -3.234 1.00 0.00 H new ATOM 0 HB VAL A 248 27.323 2.705 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 248 26.477 5.010 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 248 27.768 4.695 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 248 28.120 5.630 -2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 248 26.460 3.834 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 248 28.103 4.404 -4.743 1.00 0.00 H new ATOM 0 HG23 VAL A 248 27.739 2.662 -4.761 1.00 0.00 H new TER 961 VAL A 248 HETATM 962 ZN ZN A 300 -4.555 -5.480 7.368 1.00 0.00 ZN HETATM 963 ZN ZN A 400 18.206 -2.207 7.814 1.00 0.00 ZN