USER MOD reduce.3.24.130724 H: found=0, std=0, add=279, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 280 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 214 HIS HE2 : A 214 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 218 HIS HE2 : A 218 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 200 GLN : amide:sc= -2.08 X(o=-2.1,f=-2.4!) USER MOD Set 1.2: A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 186 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 189 SER OG : rot -17:sc= 0.712 USER MOD Single : A 190 SER OG : rot -91:sc= 0.0871 USER MOD Single : A 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 SER OG : rot 180:sc= 0.0854 USER MOD Single : A 207 GLN : amide:sc= -0.0546 K(o=-0.055,f=-1.2) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot 180:sc= -0.619 USER MOD Single : A 221 SER OG : rot -160:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 16.251 15.187 -4.130 1.00 0.00 N ATOM 2 CA GLY A 185 17.007 15.221 -2.891 1.00 0.00 C ATOM 3 C GLY A 185 16.199 15.776 -1.734 1.00 0.00 C ATOM 4 O GLY A 185 16.697 16.586 -0.953 1.00 0.00 O ATOM 0 HA2 GLY A 185 17.342 14.213 -2.646 1.00 0.00 H new ATOM 0 HA3 GLY A 185 17.901 15.829 -3.031 1.00 0.00 H new ATOM 8 N SER A 186 14.948 15.341 -1.626 1.00 0.00 N ATOM 9 CA SER A 186 14.067 15.804 -0.560 1.00 0.00 C ATOM 10 C SER A 186 12.973 14.780 -0.275 1.00 0.00 C ATOM 11 O SER A 186 11.952 14.740 -0.961 1.00 0.00 O ATOM 12 CB SER A 186 13.439 17.148 -0.935 1.00 0.00 C ATOM 13 OG SER A 186 13.343 17.999 0.194 1.00 0.00 O ATOM 0 H SER A 186 14.521 14.669 -2.263 1.00 0.00 H new ATOM 0 HA SER A 186 14.666 15.930 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 186 14.038 17.630 -1.708 1.00 0.00 H new ATOM 0 HB3 SER A 186 12.447 16.985 -1.356 1.00 0.00 H new ATOM 0 HG SER A 186 12.940 18.852 -0.072 1.00 0.00 H new ATOM 19 N SER A 187 13.195 13.952 0.741 1.00 0.00 N ATOM 20 CA SER A 187 12.231 12.924 1.115 1.00 0.00 C ATOM 21 C SER A 187 10.873 13.543 1.432 1.00 0.00 C ATOM 22 O SER A 187 10.708 14.762 1.387 1.00 0.00 O ATOM 23 CB SER A 187 12.738 12.134 2.323 1.00 0.00 C ATOM 24 OG SER A 187 12.736 10.742 2.059 1.00 0.00 O ATOM 0 H SER A 187 14.034 13.973 1.320 1.00 0.00 H new ATOM 0 HA SER A 187 12.114 12.246 0.270 1.00 0.00 H new ATOM 0 HB2 SER A 187 13.748 12.458 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 187 12.110 12.344 3.189 1.00 0.00 H new ATOM 0 HG SER A 187 13.066 10.259 2.846 1.00 0.00 H new ATOM 30 N GLY A 188 9.902 12.693 1.752 1.00 0.00 N ATOM 31 CA GLY A 188 8.571 13.173 2.072 1.00 0.00 C ATOM 32 C GLY A 188 7.879 13.801 0.878 1.00 0.00 C ATOM 33 O GLY A 188 7.967 15.010 0.665 1.00 0.00 O ATOM 0 H GLY A 188 10.014 11.680 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 188 7.968 12.344 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 188 8.636 13.905 2.877 1.00 0.00 H new ATOM 37 N SER A 189 7.189 12.977 0.095 1.00 0.00 N ATOM 38 CA SER A 189 6.483 13.458 -1.087 1.00 0.00 C ATOM 39 C SER A 189 5.362 12.500 -1.477 1.00 0.00 C ATOM 40 O SER A 189 5.397 11.888 -2.545 1.00 0.00 O ATOM 41 CB SER A 189 7.457 13.624 -2.255 1.00 0.00 C ATOM 42 OG SER A 189 8.498 14.528 -1.927 1.00 0.00 O ATOM 0 H SER A 189 7.104 11.974 0.258 1.00 0.00 H new ATOM 0 HA SER A 189 6.043 14.426 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 189 7.882 12.655 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 189 6.920 13.986 -3.132 1.00 0.00 H new ATOM 0 HG SER A 189 8.240 15.053 -1.141 1.00 0.00 H new ATOM 48 N SER A 190 4.368 12.375 -0.604 1.00 0.00 N ATOM 49 CA SER A 190 3.237 11.489 -0.854 1.00 0.00 C ATOM 50 C SER A 190 2.588 11.802 -2.199 1.00 0.00 C ATOM 51 O SER A 190 2.445 12.964 -2.576 1.00 0.00 O ATOM 52 CB SER A 190 2.203 11.619 0.266 1.00 0.00 C ATOM 53 OG SER A 190 2.284 12.888 0.891 1.00 0.00 O ATOM 0 H SER A 190 4.323 12.876 0.283 1.00 0.00 H new ATOM 0 HA SER A 190 3.609 10.465 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 190 1.202 11.474 -0.140 1.00 0.00 H new ATOM 0 HB3 SER A 190 2.363 10.835 1.006 1.00 0.00 H new ATOM 0 HG SER A 190 2.901 12.840 1.650 1.00 0.00 H new ATOM 59 N GLY A 191 2.198 10.755 -2.919 1.00 0.00 N ATOM 60 CA GLY A 191 1.570 10.938 -4.214 1.00 0.00 C ATOM 61 C GLY A 191 0.611 9.815 -4.557 1.00 0.00 C ATOM 62 O GLY A 191 1.023 8.669 -4.732 1.00 0.00 O ATOM 0 H GLY A 191 2.306 9.783 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY A 191 1.032 11.886 -4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 191 2.341 11.001 -4.982 1.00 0.00 H new ATOM 66 N GLY A 192 -0.674 10.144 -4.652 1.00 0.00 N ATOM 67 CA GLY A 192 -1.675 9.143 -4.974 1.00 0.00 C ATOM 68 C GLY A 192 -2.860 9.183 -4.030 1.00 0.00 C ATOM 69 O GLY A 192 -4.010 9.145 -4.465 1.00 0.00 O ATOM 0 H GLY A 192 -1.040 11.086 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -2.023 9.297 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -1.219 8.153 -4.938 1.00 0.00 H new ATOM 73 N GLU A 193 -2.578 9.259 -2.732 1.00 0.00 N ATOM 74 CA GLU A 193 -3.631 9.301 -1.724 1.00 0.00 C ATOM 75 C GLU A 193 -4.615 8.150 -1.916 1.00 0.00 C ATOM 76 O GLU A 193 -5.821 8.363 -2.040 1.00 0.00 O ATOM 77 CB GLU A 193 -4.375 10.637 -1.787 1.00 0.00 C ATOM 78 CG GLU A 193 -5.057 11.016 -0.484 1.00 0.00 C ATOM 79 CD GLU A 193 -6.425 11.633 -0.699 1.00 0.00 C ATOM 80 OE1 GLU A 193 -6.486 12.813 -1.105 1.00 0.00 O ATOM 81 OE2 GLU A 193 -7.435 10.936 -0.463 1.00 0.00 O ATOM 0 H GLU A 193 -1.631 9.293 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 193 -3.164 9.198 -0.744 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -3.671 11.423 -2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -5.123 10.590 -2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -5.157 10.128 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -4.427 11.719 0.060 1.00 0.00 H new ATOM 88 N LYS A 194 -4.090 6.930 -1.940 1.00 0.00 N ATOM 89 CA LYS A 194 -4.919 5.743 -2.115 1.00 0.00 C ATOM 90 C LYS A 194 -5.363 5.185 -0.767 1.00 0.00 C ATOM 91 O LYS A 194 -4.727 5.406 0.263 1.00 0.00 O ATOM 92 CB LYS A 194 -4.154 4.672 -2.896 1.00 0.00 C ATOM 93 CG LYS A 194 -3.980 5.000 -4.368 1.00 0.00 C ATOM 94 CD LYS A 194 -5.265 4.774 -5.147 1.00 0.00 C ATOM 95 CE LYS A 194 -5.991 6.083 -5.416 1.00 0.00 C ATOM 96 NZ LYS A 194 -7.470 5.908 -5.413 1.00 0.00 N ATOM 0 H LYS A 194 -3.093 6.737 -1.840 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.806 6.031 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.171 4.537 -2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.680 3.722 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.667 6.038 -4.475 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -3.186 4.382 -4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -5.037 4.282 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -5.917 4.103 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -5.711 6.816 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -5.675 6.482 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -7.928 6.823 -5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -7.741 5.228 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -7.775 5.551 -4.485 1.00 0.00 H new ATOM 110 N PRO A 195 -6.481 4.443 -0.772 1.00 0.00 N ATOM 111 CA PRO A 195 -7.033 3.836 0.443 1.00 0.00 C ATOM 112 C PRO A 195 -6.163 2.700 0.971 1.00 0.00 C ATOM 113 O PRO A 195 -6.186 2.390 2.162 1.00 0.00 O ATOM 114 CB PRO A 195 -8.392 3.301 -0.014 1.00 0.00 C ATOM 115 CG PRO A 195 -8.237 3.076 -1.478 1.00 0.00 C ATOM 116 CD PRO A 195 -7.290 4.138 -1.963 1.00 0.00 C ATOM 0 HA PRO A 195 -7.095 4.551 1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.648 2.377 0.504 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.189 4.015 0.195 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.843 2.080 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.198 3.148 -1.988 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.673 3.780 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.823 5.018 -2.323 1.00 0.00 H new ATOM 124 N TYR A 196 -5.398 2.084 0.078 1.00 0.00 N ATOM 125 CA TYR A 196 -4.522 0.981 0.453 1.00 0.00 C ATOM 126 C TYR A 196 -3.185 1.499 0.974 1.00 0.00 C ATOM 127 O TYR A 196 -2.310 1.883 0.197 1.00 0.00 O ATOM 128 CB TYR A 196 -4.292 0.054 -0.742 1.00 0.00 C ATOM 129 CG TYR A 196 -5.549 -0.245 -1.527 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.369 -1.312 -1.182 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.916 0.539 -2.614 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.519 -1.590 -1.896 1.00 0.00 C ATOM 133 CE2 TYR A 196 -7.064 0.269 -3.333 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.862 -0.796 -2.970 1.00 0.00 C ATOM 135 OH TYR A 196 -9.006 -1.069 -3.685 1.00 0.00 O ATOM 0 H TYR A 196 -5.367 2.330 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 196 -5.009 0.420 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.558 0.508 -1.407 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.864 -0.883 -0.387 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -6.103 -1.935 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.293 1.373 -2.901 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -8.145 -2.424 -1.615 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.335 0.888 -4.175 1.00 0.00 H new ATOM 0 HH TYR A 196 -9.103 -0.415 -4.409 1.00 0.00 H new ATOM 145 N ARG A 197 -3.034 1.507 2.294 1.00 0.00 N ATOM 146 CA ARG A 197 -1.804 1.979 2.920 1.00 0.00 C ATOM 147 C ARG A 197 -1.395 1.065 4.071 1.00 0.00 C ATOM 148 O ARG A 197 -2.060 1.017 5.107 1.00 0.00 O ATOM 149 CB ARG A 197 -1.983 3.410 3.430 1.00 0.00 C ATOM 150 CG ARG A 197 -0.736 3.985 4.081 1.00 0.00 C ATOM 151 CD ARG A 197 -1.077 5.126 5.027 1.00 0.00 C ATOM 152 NE ARG A 197 -1.439 4.645 6.357 1.00 0.00 N ATOM 153 CZ ARG A 197 -0.552 4.242 7.260 1.00 0.00 C ATOM 154 NH1 ARG A 197 0.743 4.263 6.977 1.00 0.00 N ATOM 155 NH2 ARG A 197 -0.960 3.818 8.449 1.00 0.00 N ATOM 0 H ARG A 197 -3.748 1.192 2.951 1.00 0.00 H new ATOM 0 HA ARG A 197 -1.014 1.964 2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.276 4.050 2.597 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.801 3.430 4.150 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -0.215 3.200 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.053 4.342 3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 197 -0.223 5.799 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.903 5.705 4.614 1.00 0.00 H new ATOM 0 HE ARG A 197 -2.428 4.617 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 197 1.060 4.589 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 197 1.422 3.953 7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 197 -1.956 3.801 8.670 1.00 0.00 H new ATOM 0 HH22 ARG A 197 -0.278 3.509 9.142 1.00 0.00 H new ATOM 169 N CYS A 198 -0.297 0.341 3.883 1.00 0.00 N ATOM 170 CA CYS A 198 0.202 -0.573 4.904 1.00 0.00 C ATOM 171 C CYS A 198 0.683 0.194 6.132 1.00 0.00 C ATOM 172 O CYS A 198 1.465 1.139 6.020 1.00 0.00 O ATOM 173 CB CYS A 198 1.341 -1.426 4.343 1.00 0.00 C ATOM 174 SG CYS A 198 1.729 -2.899 5.341 1.00 0.00 S ATOM 0 H CYS A 198 0.265 0.369 3.032 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.618 -1.226 5.203 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.080 -1.743 3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.236 -0.809 4.262 1.00 0.00 H new ATOM 179 N ASP A 199 0.211 -0.219 7.303 1.00 0.00 N ATOM 180 CA ASP A 199 0.594 0.428 8.553 1.00 0.00 C ATOM 181 C ASP A 199 1.811 -0.256 9.168 1.00 0.00 C ATOM 182 O ASP A 199 2.391 0.240 10.133 1.00 0.00 O ATOM 183 CB ASP A 199 -0.573 0.407 9.541 1.00 0.00 C ATOM 184 CG ASP A 199 -1.227 -0.957 9.636 1.00 0.00 C ATOM 185 OD1 ASP A 199 -2.037 -1.289 8.746 1.00 0.00 O ATOM 186 OD2 ASP A 199 -0.928 -1.693 10.600 1.00 0.00 O ATOM 0 H ASP A 199 -0.437 -0.999 7.413 1.00 0.00 H new ATOM 0 HA ASP A 199 0.855 1.463 8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -0.216 0.705 10.527 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -1.317 1.143 9.236 1.00 0.00 H new ATOM 191 N GLN A 200 2.190 -1.398 8.604 1.00 0.00 N ATOM 192 CA GLN A 200 3.336 -2.151 9.099 1.00 0.00 C ATOM 193 C GLN A 200 4.645 -1.500 8.662 1.00 0.00 C ATOM 194 O GLN A 200 5.623 -1.485 9.409 1.00 0.00 O ATOM 195 CB GLN A 200 3.279 -3.595 8.599 1.00 0.00 C ATOM 196 CG GLN A 200 2.016 -4.332 9.012 1.00 0.00 C ATOM 197 CD GLN A 200 2.236 -5.824 9.172 1.00 0.00 C ATOM 198 OE1 GLN A 200 3.110 -6.256 9.924 1.00 0.00 O ATOM 199 NE2 GLN A 200 1.443 -6.619 8.464 1.00 0.00 N ATOM 0 H GLN A 200 1.720 -1.822 7.804 1.00 0.00 H new ATOM 0 HA GLN A 200 3.297 -2.150 10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.352 -3.597 7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.146 -4.136 8.978 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.651 -3.920 9.952 1.00 0.00 H new ATOM 0 HG3 GLN A 200 1.240 -4.161 8.266 1.00 0.00 H new ATOM 0 HE21 GLN A 200 0.732 -6.217 7.853 1.00 0.00 H new ATOM 0 HE22 GLN A 200 1.545 -7.632 8.531 1.00 0.00 H new ATOM 208 N CYS A 201 4.656 -0.964 7.446 1.00 0.00 N ATOM 209 CA CYS A 201 5.844 -0.312 6.908 1.00 0.00 C ATOM 210 C CYS A 201 5.558 1.148 6.571 1.00 0.00 C ATOM 211 O CYS A 201 6.433 2.006 6.685 1.00 0.00 O ATOM 212 CB CYS A 201 6.333 -1.048 5.659 1.00 0.00 C ATOM 213 SG CYS A 201 5.110 -1.119 4.310 1.00 0.00 S ATOM 0 H CYS A 201 3.855 -0.968 6.814 1.00 0.00 H new ATOM 0 HA CYS A 201 6.623 -0.345 7.670 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.235 -0.558 5.292 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.612 -2.065 5.936 1.00 0.00 H new ATOM 218 N GLY A 202 4.325 1.424 6.156 1.00 0.00 N ATOM 219 CA GLY A 202 3.945 2.781 5.809 1.00 0.00 C ATOM 220 C GLY A 202 4.028 3.044 4.318 1.00 0.00 C ATOM 221 O GLY A 202 4.574 4.060 3.889 1.00 0.00 O ATOM 0 H GLY A 202 3.583 0.732 6.054 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.927 2.969 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.593 3.482 6.335 1.00 0.00 H new ATOM 225 N LYS A 203 3.488 2.124 3.526 1.00 0.00 N ATOM 226 CA LYS A 203 3.503 2.260 2.074 1.00 0.00 C ATOM 227 C LYS A 203 2.107 2.568 1.542 1.00 0.00 C ATOM 228 O LYS A 203 1.151 2.681 2.309 1.00 0.00 O ATOM 229 CB LYS A 203 4.036 0.979 1.428 1.00 0.00 C ATOM 230 CG LYS A 203 5.495 1.067 1.016 1.00 0.00 C ATOM 231 CD LYS A 203 5.705 2.102 -0.077 1.00 0.00 C ATOM 232 CE LYS A 203 6.927 1.779 -0.923 1.00 0.00 C ATOM 233 NZ LYS A 203 8.136 2.508 -0.450 1.00 0.00 N ATOM 0 H LYS A 203 3.034 1.276 3.865 1.00 0.00 H new ATOM 0 HA LYS A 203 4.161 3.090 1.818 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.914 0.152 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.433 0.747 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 203 6.104 1.324 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.834 0.092 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 203 4.821 2.145 -0.714 1.00 0.00 H new ATOM 0 HD3 LYS A 203 5.822 3.088 0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.115 0.706 -0.894 1.00 0.00 H new ATOM 0 HE3 LYS A 203 6.729 2.040 -1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 8.948 2.262 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 7.966 3.533 -0.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.340 2.240 0.534 1.00 0.00 H new ATOM 247 N ALA A 204 1.997 2.701 0.224 1.00 0.00 N ATOM 248 CA ALA A 204 0.718 2.993 -0.410 1.00 0.00 C ATOM 249 C ALA A 204 0.567 2.225 -1.719 1.00 0.00 C ATOM 250 O ALA A 204 1.527 2.071 -2.475 1.00 0.00 O ATOM 251 CB ALA A 204 0.578 4.488 -0.654 1.00 0.00 C ATOM 0 H ALA A 204 2.779 2.611 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.076 2.671 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.382 4.691 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.633 5.019 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.383 4.827 -1.306 1.00 0.00 H new ATOM 257 N PHE A 205 -0.644 1.744 -1.981 1.00 0.00 N ATOM 258 CA PHE A 205 -0.920 0.991 -3.199 1.00 0.00 C ATOM 259 C PHE A 205 -2.210 1.473 -3.856 1.00 0.00 C ATOM 260 O PHE A 205 -3.103 1.993 -3.187 1.00 0.00 O ATOM 261 CB PHE A 205 -1.021 -0.504 -2.887 1.00 0.00 C ATOM 262 CG PHE A 205 0.086 -1.009 -2.006 1.00 0.00 C ATOM 263 CD1 PHE A 205 -0.008 -0.909 -0.627 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.220 -1.582 -2.556 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.009 -1.372 0.186 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.241 -2.047 -1.749 1.00 0.00 C ATOM 267 CZ PHE A 205 2.135 -1.943 -0.376 1.00 0.00 C ATOM 0 H PHE A 205 -1.449 1.862 -1.366 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.096 1.156 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.978 -0.702 -2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -1.014 -1.063 -3.822 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.886 -0.464 -0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.308 -1.667 -3.629 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.924 -1.288 1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.120 -2.491 -2.191 1.00 0.00 H new ATOM 0 HZ PHE A 205 2.930 -2.307 0.257 1.00 0.00 H new ATOM 277 N SER A 206 -2.300 1.295 -5.170 1.00 0.00 N ATOM 278 CA SER A 206 -3.478 1.715 -5.919 1.00 0.00 C ATOM 279 C SER A 206 -4.558 0.638 -5.884 1.00 0.00 C ATOM 280 O SER A 206 -5.749 0.935 -5.970 1.00 0.00 O ATOM 281 CB SER A 206 -3.102 2.028 -7.369 1.00 0.00 C ATOM 282 OG SER A 206 -1.816 1.523 -7.682 1.00 0.00 O ATOM 0 H SER A 206 -1.571 0.863 -5.738 1.00 0.00 H new ATOM 0 HA SER A 206 -3.873 2.616 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.841 1.593 -8.042 1.00 0.00 H new ATOM 0 HB3 SER A 206 -3.122 3.106 -7.529 1.00 0.00 H new ATOM 0 HG SER A 206 -1.600 1.734 -8.614 1.00 0.00 H new ATOM 288 N GLN A 207 -4.131 -0.614 -5.756 1.00 0.00 N ATOM 289 CA GLN A 207 -5.061 -1.737 -5.710 1.00 0.00 C ATOM 290 C GLN A 207 -4.865 -2.554 -4.437 1.00 0.00 C ATOM 291 O GLN A 207 -3.836 -2.446 -3.769 1.00 0.00 O ATOM 292 CB GLN A 207 -4.876 -2.630 -6.937 1.00 0.00 C ATOM 293 CG GLN A 207 -4.758 -1.857 -8.240 1.00 0.00 C ATOM 294 CD GLN A 207 -5.353 -2.604 -9.418 1.00 0.00 C ATOM 295 OE1 GLN A 207 -5.592 -3.810 -9.347 1.00 0.00 O ATOM 296 NE2 GLN A 207 -5.597 -1.889 -10.510 1.00 0.00 N ATOM 0 H GLN A 207 -3.148 -0.877 -5.682 1.00 0.00 H new ATOM 0 HA GLN A 207 -6.075 -1.337 -5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.981 -3.237 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -5.720 -3.317 -7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -5.259 -0.895 -8.134 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -3.707 -1.648 -8.440 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -5.383 -0.892 -10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -5.998 -2.337 -11.334 1.00 0.00 H new ATOM 305 N LYS A 208 -5.858 -3.371 -4.105 1.00 0.00 N ATOM 306 CA LYS A 208 -5.796 -4.208 -2.913 1.00 0.00 C ATOM 307 C LYS A 208 -4.864 -5.396 -3.130 1.00 0.00 C ATOM 308 O LYS A 208 -3.948 -5.631 -2.343 1.00 0.00 O ATOM 309 CB LYS A 208 -7.195 -4.705 -2.540 1.00 0.00 C ATOM 310 CG LYS A 208 -7.403 -4.867 -1.044 1.00 0.00 C ATOM 311 CD LYS A 208 -7.073 -6.277 -0.585 1.00 0.00 C ATOM 312 CE LYS A 208 -6.793 -6.326 0.910 1.00 0.00 C ATOM 313 NZ LYS A 208 -8.045 -6.460 1.704 1.00 0.00 N ATOM 0 H LYS A 208 -6.717 -3.472 -4.646 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.402 -3.604 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.936 -4.006 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.374 -5.662 -3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -6.776 -4.153 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.438 -4.634 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.904 -6.942 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.204 -6.645 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -6.133 -7.165 1.129 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -6.267 -5.420 1.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -7.812 -6.490 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.665 -5.646 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -8.534 -7.338 1.435 1.00 0.00 H new ATOM 327 N GLY A 209 -5.105 -6.142 -4.204 1.00 0.00 N ATOM 328 CA GLY A 209 -4.277 -7.296 -4.506 1.00 0.00 C ATOM 329 C GLY A 209 -2.796 -6.985 -4.423 1.00 0.00 C ATOM 330 O GLY A 209 -2.028 -7.743 -3.831 1.00 0.00 O ATOM 0 H GLY A 209 -5.858 -5.968 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.515 -8.102 -3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.514 -7.657 -5.507 1.00 0.00 H new ATOM 334 N SER A 210 -2.394 -5.867 -5.020 1.00 0.00 N ATOM 335 CA SER A 210 -0.993 -5.461 -5.016 1.00 0.00 C ATOM 336 C SER A 210 -0.430 -5.465 -3.598 1.00 0.00 C ATOM 337 O SER A 210 0.719 -5.849 -3.374 1.00 0.00 O ATOM 338 CB SER A 210 -0.843 -4.069 -5.632 1.00 0.00 C ATOM 339 OG SER A 210 -1.781 -3.869 -6.676 1.00 0.00 O ATOM 0 H SER A 210 -3.018 -5.227 -5.512 1.00 0.00 H new ATOM 0 HA SER A 210 -0.430 -6.178 -5.613 1.00 0.00 H new ATOM 0 HB2 SER A 210 -0.984 -3.310 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.168 -3.946 -6.019 1.00 0.00 H new ATOM 0 HG SER A 210 -1.666 -2.971 -7.052 1.00 0.00 H new ATOM 345 N LEU A 211 -1.247 -5.035 -2.643 1.00 0.00 N ATOM 346 CA LEU A 211 -0.833 -4.989 -1.245 1.00 0.00 C ATOM 347 C LEU A 211 -0.727 -6.394 -0.661 1.00 0.00 C ATOM 348 O LEU A 211 0.106 -6.655 0.207 1.00 0.00 O ATOM 349 CB LEU A 211 -1.821 -4.157 -0.426 1.00 0.00 C ATOM 350 CG LEU A 211 -1.752 -4.333 1.091 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.327 -4.142 1.586 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.695 -3.361 1.785 1.00 0.00 C ATOM 0 H LEU A 211 -2.200 -4.713 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 211 0.151 -4.522 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.657 -3.104 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.831 -4.402 -0.754 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.066 -5.348 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.297 -4.271 2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.324 -4.879 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 211 0.016 -3.139 1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.632 -3.501 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.412 -2.338 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.717 -3.546 1.454 1.00 0.00 H new ATOM 364 N ILE A 212 -1.576 -7.295 -1.144 1.00 0.00 N ATOM 365 CA ILE A 212 -1.575 -8.674 -0.673 1.00 0.00 C ATOM 366 C ILE A 212 -0.235 -9.348 -0.946 1.00 0.00 C ATOM 367 O ILE A 212 0.211 -10.200 -0.178 1.00 0.00 O ATOM 368 CB ILE A 212 -2.696 -9.496 -1.337 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.028 -8.751 -1.245 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.803 -10.867 -0.686 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.204 -9.547 -1.767 1.00 0.00 C ATOM 0 H ILE A 212 -2.273 -7.095 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.749 -8.640 0.403 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.451 -9.633 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.214 -8.483 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.953 -7.819 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.599 -11.436 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.858 -11.398 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.029 -10.750 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.115 -8.956 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.040 -9.792 -2.816 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.305 -10.467 -1.191 1.00 0.00 H new ATOM 383 N VAL A 213 0.404 -8.959 -2.045 1.00 0.00 N ATOM 384 CA VAL A 213 1.695 -9.524 -2.418 1.00 0.00 C ATOM 385 C VAL A 213 2.821 -8.916 -1.589 1.00 0.00 C ATOM 386 O VAL A 213 3.954 -9.398 -1.613 1.00 0.00 O ATOM 387 CB VAL A 213 1.995 -9.299 -3.912 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.235 -10.073 -4.331 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.797 -9.697 -4.761 1.00 0.00 C ATOM 0 H VAL A 213 0.049 -8.255 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 213 1.640 -10.595 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 213 2.188 -8.238 -4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.431 -9.901 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.090 -9.736 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.075 -11.137 -4.160 1.00 0.00 H new ATOM 0 HG21 VAL A 213 1.026 -9.532 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.571 -10.751 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.066 -9.094 -4.478 1.00 0.00 H new ATOM 399 N HIS A 214 2.502 -7.855 -0.855 1.00 0.00 N ATOM 400 CA HIS A 214 3.486 -7.182 -0.016 1.00 0.00 C ATOM 401 C HIS A 214 3.442 -7.718 1.412 1.00 0.00 C ATOM 402 O HIS A 214 4.464 -7.773 2.096 1.00 0.00 O ATOM 403 CB HIS A 214 3.239 -5.673 -0.014 1.00 0.00 C ATOM 404 CG HIS A 214 3.725 -4.988 1.227 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.038 -4.611 1.413 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.064 -4.610 2.346 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.164 -4.033 2.594 1.00 0.00 C ATOM 408 NE2 HIS A 214 3.981 -4.020 3.180 1.00 0.00 N ATOM 0 H HIS A 214 1.569 -7.443 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 214 4.475 -7.381 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.732 -5.231 -0.880 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.171 -5.488 -0.127 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.794 -4.756 0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.011 -4.747 2.546 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.079 -3.638 3.010 1.00 0.00 H new ATOM 416 N ILE A 215 2.252 -8.111 1.854 1.00 0.00 N ATOM 417 CA ILE A 215 2.076 -8.644 3.199 1.00 0.00 C ATOM 418 C ILE A 215 2.982 -9.846 3.438 1.00 0.00 C ATOM 419 O ILE A 215 3.284 -10.192 4.581 1.00 0.00 O ATOM 420 CB ILE A 215 0.614 -9.058 3.454 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.319 -7.860 3.266 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.464 -9.640 4.851 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.766 -8.248 3.059 1.00 0.00 C ATOM 0 H ILE A 215 1.396 -8.070 1.301 1.00 0.00 H new ATOM 0 HA ILE A 215 2.345 -7.846 3.891 1.00 0.00 H new ATOM 0 HB ILE A 215 0.338 -9.826 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.246 -7.213 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.019 -7.278 2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.574 -9.928 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.104 -10.517 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.755 -8.893 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.369 -7.349 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.852 -8.871 2.168 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.121 -8.804 3.926 1.00 0.00 H new ATOM 435 N ARG A 216 3.416 -10.479 2.353 1.00 0.00 N ATOM 436 CA ARG A 216 4.289 -11.642 2.444 1.00 0.00 C ATOM 437 C ARG A 216 5.539 -11.321 3.258 1.00 0.00 C ATOM 438 O ARG A 216 6.150 -12.209 3.853 1.00 0.00 O ATOM 439 CB ARG A 216 4.687 -12.119 1.046 1.00 0.00 C ATOM 440 CG ARG A 216 3.501 -12.483 0.167 1.00 0.00 C ATOM 441 CD ARG A 216 3.918 -12.659 -1.285 1.00 0.00 C ATOM 442 NE ARG A 216 3.128 -13.686 -1.960 1.00 0.00 N ATOM 443 CZ ARG A 216 3.478 -14.240 -3.116 1.00 0.00 C ATOM 444 NH1 ARG A 216 4.598 -13.870 -3.721 1.00 0.00 N ATOM 445 NH2 ARG A 216 2.707 -15.169 -3.668 1.00 0.00 N ATOM 0 H ARG A 216 3.177 -10.205 1.400 1.00 0.00 H new ATOM 0 HA ARG A 216 3.741 -12.437 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.266 -11.337 0.555 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.339 -12.987 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 216 3.046 -13.405 0.531 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.742 -11.704 0.237 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.807 -11.711 -1.812 1.00 0.00 H new ATOM 0 HD3 ARG A 216 4.974 -12.926 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 216 2.261 -13.994 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 216 5.194 -13.158 -3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 216 4.864 -14.297 -4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 216 1.845 -15.458 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 216 2.976 -15.594 -4.555 1.00 0.00 H new ATOM 459 N VAL A 217 5.915 -10.046 3.279 1.00 0.00 N ATOM 460 CA VAL A 217 7.091 -9.608 4.020 1.00 0.00 C ATOM 461 C VAL A 217 6.766 -9.400 5.495 1.00 0.00 C ATOM 462 O VAL A 217 7.641 -9.501 6.355 1.00 0.00 O ATOM 463 CB VAL A 217 7.663 -8.300 3.442 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.881 -8.428 1.942 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.741 -7.131 3.756 1.00 0.00 C ATOM 0 H VAL A 217 5.422 -9.298 2.791 1.00 0.00 H new ATOM 0 HA VAL A 217 7.837 -10.396 3.924 1.00 0.00 H new ATOM 0 HB VAL A 217 8.629 -8.109 3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.285 -7.494 1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.583 -9.238 1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.931 -8.644 1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.161 -6.215 3.340 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.760 -7.313 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.641 -7.027 4.836 1.00 0.00 H new ATOM 475 N HIS A 218 5.501 -9.109 5.781 1.00 0.00 N ATOM 476 CA HIS A 218 5.059 -8.887 7.153 1.00 0.00 C ATOM 477 C HIS A 218 4.468 -10.163 7.746 1.00 0.00 C ATOM 478 O HIS A 218 5.092 -10.819 8.581 1.00 0.00 O ATOM 479 CB HIS A 218 4.025 -7.762 7.203 1.00 0.00 C ATOM 480 CG HIS A 218 4.579 -6.422 6.826 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.648 -5.841 7.475 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.208 -5.550 5.860 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.909 -4.668 6.926 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.049 -4.468 5.943 1.00 0.00 N ATOM 0 H HIS A 218 4.764 -9.021 5.081 1.00 0.00 H new ATOM 0 HA HIS A 218 5.927 -8.599 7.746 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.201 -8.007 6.533 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.611 -7.705 8.210 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.158 -6.253 8.257 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.400 -5.681 5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.692 -3.988 7.229 1.00 0.00 H new ATOM 492 N THR A 219 3.261 -10.509 7.310 1.00 0.00 N ATOM 493 CA THR A 219 2.586 -11.705 7.799 1.00 0.00 C ATOM 494 C THR A 219 2.616 -12.818 6.758 1.00 0.00 C ATOM 495 O THR A 219 2.651 -12.556 5.556 1.00 0.00 O ATOM 496 CB THR A 219 1.122 -11.408 8.175 1.00 0.00 C ATOM 497 OG1 THR A 219 0.977 -10.029 8.532 1.00 0.00 O ATOM 498 CG2 THR A 219 0.672 -12.287 9.333 1.00 0.00 C ATOM 0 H THR A 219 2.731 -9.978 6.619 1.00 0.00 H new ATOM 0 HA THR A 219 3.124 -12.030 8.689 1.00 0.00 H new ATOM 0 HB THR A 219 0.497 -11.626 7.309 1.00 0.00 H new ATOM 0 HG1 THR A 219 0.043 -9.849 8.768 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.365 -12.060 9.581 1.00 0.00 H new ATOM 0 HG22 THR A 219 0.755 -13.336 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.303 -12.096 10.201 1.00 0.00 H new ATOM 506 N GLY A 220 2.601 -14.062 7.227 1.00 0.00 N ATOM 507 CA GLY A 220 2.627 -15.196 6.323 1.00 0.00 C ATOM 508 C GLY A 220 1.558 -15.108 5.252 1.00 0.00 C ATOM 509 O GLY A 220 0.383 -15.366 5.515 1.00 0.00 O ATOM 0 H GLY A 220 2.571 -14.304 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.607 -15.257 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.491 -16.115 6.893 1.00 0.00 H new ATOM 513 N SER A 221 1.965 -14.741 4.041 1.00 0.00 N ATOM 514 CA SER A 221 1.032 -14.614 2.927 1.00 0.00 C ATOM 515 C SER A 221 1.421 -15.547 1.784 1.00 0.00 C ATOM 516 O SER A 221 2.556 -15.527 1.310 1.00 0.00 O ATOM 517 CB SER A 221 0.993 -13.168 2.429 1.00 0.00 C ATOM 518 OG SER A 221 -0.310 -12.624 2.545 1.00 0.00 O ATOM 0 H SER A 221 2.934 -14.526 3.806 1.00 0.00 H new ATOM 0 HA SER A 221 0.040 -14.895 3.282 1.00 0.00 H new ATOM 0 HB2 SER A 221 1.695 -12.563 3.003 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.315 -13.130 1.388 1.00 0.00 H new ATOM 0 HG SER A 221 -0.395 -11.849 1.952 1.00 0.00 H new ATOM 524 N GLY A 222 0.468 -16.364 1.345 1.00 0.00 N ATOM 525 CA GLY A 222 0.729 -17.294 0.262 1.00 0.00 C ATOM 526 C GLY A 222 1.960 -18.143 0.510 1.00 0.00 C ATOM 527 O GLY A 222 2.554 -18.113 1.588 1.00 0.00 O ATOM 0 H GLY A 222 -0.480 -16.398 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -0.136 -17.944 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 222 0.856 -16.738 -0.667 1.00 0.00 H new ATOM 531 N PRO A 223 2.359 -18.924 -0.505 1.00 0.00 N ATOM 532 CA PRO A 223 3.530 -19.801 -0.415 1.00 0.00 C ATOM 533 C PRO A 223 4.839 -19.019 -0.372 1.00 0.00 C ATOM 534 O PRO A 223 4.964 -17.966 -0.997 1.00 0.00 O ATOM 535 CB PRO A 223 3.448 -20.635 -1.696 1.00 0.00 C ATOM 536 CG PRO A 223 2.680 -19.788 -2.651 1.00 0.00 C ATOM 537 CD PRO A 223 1.699 -19.010 -1.818 1.00 0.00 C ATOM 0 HA PRO A 223 3.524 -20.395 0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 223 4.441 -20.866 -2.082 1.00 0.00 H new ATOM 0 HB3 PRO A 223 2.946 -21.586 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 223 3.343 -19.119 -3.200 1.00 0.00 H new ATOM 0 HG3 PRO A 223 2.164 -20.402 -3.390 1.00 0.00 H new ATOM 0 HD2 PRO A 223 1.510 -18.022 -2.238 1.00 0.00 H new ATOM 0 HD3 PRO A 223 0.737 -19.518 -1.752 1.00 0.00 H new ATOM 545 N SER A 224 5.811 -19.542 0.368 1.00 0.00 N ATOM 546 CA SER A 224 7.110 -18.890 0.495 1.00 0.00 C ATOM 547 C SER A 224 8.184 -19.894 0.901 1.00 0.00 C ATOM 548 O SER A 224 9.110 -19.564 1.642 1.00 0.00 O ATOM 549 CB SER A 224 7.038 -17.759 1.522 1.00 0.00 C ATOM 550 OG SER A 224 6.243 -18.130 2.635 1.00 0.00 O ATOM 0 H SER A 224 5.724 -20.415 0.889 1.00 0.00 H new ATOM 0 HA SER A 224 7.376 -18.473 -0.476 1.00 0.00 H new ATOM 0 HB2 SER A 224 8.043 -17.504 1.858 1.00 0.00 H new ATOM 0 HB3 SER A 224 6.622 -16.866 1.056 1.00 0.00 H new ATOM 0 HG SER A 224 6.214 -17.391 3.278 1.00 0.00 H new ATOM 556 N SER A 225 8.053 -21.123 0.410 1.00 0.00 N ATOM 557 CA SER A 225 9.010 -22.177 0.724 1.00 0.00 C ATOM 558 C SER A 225 9.175 -22.330 2.233 1.00 0.00 C ATOM 559 O SER A 225 8.443 -21.722 3.013 1.00 0.00 O ATOM 560 CB SER A 225 10.364 -21.875 0.079 1.00 0.00 C ATOM 561 OG SER A 225 10.791 -22.951 -0.739 1.00 0.00 O ATOM 0 H SER A 225 7.294 -21.413 -0.206 1.00 0.00 H new ATOM 0 HA SER A 225 8.625 -23.114 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.291 -20.966 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 225 11.106 -21.687 0.855 1.00 0.00 H new ATOM 0 HG SER A 225 11.658 -22.732 -1.141 1.00 0.00 H new ATOM 567 N GLY A 226 10.143 -23.147 2.637 1.00 0.00 N ATOM 568 CA GLY A 226 10.387 -23.365 4.050 1.00 0.00 C ATOM 569 C GLY A 226 10.630 -22.072 4.803 1.00 0.00 C ATOM 570 O GLY A 226 11.786 -21.727 5.043 1.00 0.00 O ATOM 0 H GLY A 226 10.762 -23.661 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 226 9.533 -23.882 4.488 1.00 0.00 H new ATOM 0 HA3 GLY A 226 11.251 -24.019 4.170 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.020 -3.176 4.882 1.00 0.00 ZN