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 194 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 206 SER OG : 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 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 196 TYR OH : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.0509 K(o=-0.051,f=-1.3) USER MOD Single : A 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 207 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 210 SER OG : rot -156:sc= -0.796 USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 221 SER OG : rot -64:sc= 0.807 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 68:sc= 0.711 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 185 9.049 14.143 18.057 1.00 0.00 N ATOM 2 CA GLY A 185 8.768 15.469 17.540 1.00 0.00 C ATOM 3 C GLY A 185 8.854 15.533 16.028 1.00 0.00 C ATOM 4 O GLY A 185 8.133 16.300 15.390 1.00 0.00 O ATOM 0 HA2 GLY A 185 7.771 15.775 17.857 1.00 0.00 H new ATOM 0 HA3 GLY A 185 9.472 16.180 17.971 1.00 0.00 H new ATOM 8 N SER A 186 9.739 14.725 15.452 1.00 0.00 N ATOM 9 CA SER A 186 9.920 14.696 14.006 1.00 0.00 C ATOM 10 C SER A 186 9.115 13.561 13.380 1.00 0.00 C ATOM 11 O SER A 186 9.661 12.713 12.675 1.00 0.00 O ATOM 12 CB SER A 186 11.402 14.537 13.659 1.00 0.00 C ATOM 13 OG SER A 186 12.128 15.714 13.969 1.00 0.00 O ATOM 0 H SER A 186 10.342 14.082 15.965 1.00 0.00 H new ATOM 0 HA SER A 186 9.559 15.641 13.601 1.00 0.00 H new ATOM 0 HB2 SER A 186 11.819 13.693 14.209 1.00 0.00 H new ATOM 0 HB3 SER A 186 11.508 14.310 12.598 1.00 0.00 H new ATOM 0 HG SER A 186 13.072 15.586 13.740 1.00 0.00 H new ATOM 19 N SER A 187 7.812 13.554 13.643 1.00 0.00 N ATOM 20 CA SER A 187 6.931 12.522 13.109 1.00 0.00 C ATOM 21 C SER A 187 7.092 12.398 11.597 1.00 0.00 C ATOM 22 O SER A 187 7.037 11.301 11.043 1.00 0.00 O ATOM 23 CB SER A 187 5.474 12.838 13.454 1.00 0.00 C ATOM 24 OG SER A 187 4.607 11.816 12.992 1.00 0.00 O ATOM 0 H SER A 187 7.343 14.251 14.222 1.00 0.00 H new ATOM 0 HA SER A 187 7.208 11.571 13.565 1.00 0.00 H new ATOM 0 HB2 SER A 187 5.368 12.948 14.533 1.00 0.00 H new ATOM 0 HB3 SER A 187 5.189 13.790 13.007 1.00 0.00 H new ATOM 0 HG SER A 187 3.682 12.041 13.226 1.00 0.00 H new ATOM 30 N GLY A 188 7.292 13.534 10.934 1.00 0.00 N ATOM 31 CA GLY A 188 7.458 13.532 9.493 1.00 0.00 C ATOM 32 C GLY A 188 6.157 13.277 8.759 1.00 0.00 C ATOM 33 O GLY A 188 5.699 12.138 8.670 1.00 0.00 O ATOM 0 H GLY A 188 7.342 14.455 11.370 1.00 0.00 H new ATOM 0 HA2 GLY A 188 7.868 14.491 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 188 8.184 12.768 9.215 1.00 0.00 H new ATOM 37 N SER A 189 5.557 14.341 8.234 1.00 0.00 N ATOM 38 CA SER A 189 4.297 14.227 7.509 1.00 0.00 C ATOM 39 C SER A 189 4.504 13.539 6.163 1.00 0.00 C ATOM 40 O SER A 189 5.516 13.751 5.495 1.00 0.00 O ATOM 41 CB SER A 189 3.679 15.611 7.298 1.00 0.00 C ATOM 42 OG SER A 189 4.305 16.290 6.223 1.00 0.00 O ATOM 0 H SER A 189 5.923 15.291 8.297 1.00 0.00 H new ATOM 0 HA SER A 189 3.616 13.620 8.106 1.00 0.00 H new ATOM 0 HB2 SER A 189 2.613 15.510 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 189 3.777 16.199 8.210 1.00 0.00 H new ATOM 0 HG SER A 189 3.891 17.171 6.107 1.00 0.00 H new ATOM 48 N SER A 190 3.537 12.715 5.772 1.00 0.00 N ATOM 49 CA SER A 190 3.614 11.992 4.508 1.00 0.00 C ATOM 50 C SER A 190 2.341 11.188 4.264 1.00 0.00 C ATOM 51 O SER A 190 1.401 11.236 5.057 1.00 0.00 O ATOM 52 CB SER A 190 4.828 11.061 4.502 1.00 0.00 C ATOM 53 OG SER A 190 4.784 10.158 5.594 1.00 0.00 O ATOM 0 H SER A 190 2.691 12.532 6.312 1.00 0.00 H new ATOM 0 HA SER A 190 3.721 12.722 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 190 4.858 10.503 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 190 5.743 11.651 4.551 1.00 0.00 H new ATOM 0 HG SER A 190 5.570 9.573 5.567 1.00 0.00 H new ATOM 59 N GLY A 191 2.319 10.447 3.160 1.00 0.00 N ATOM 60 CA GLY A 191 1.157 9.643 2.829 1.00 0.00 C ATOM 61 C GLY A 191 0.671 9.880 1.413 1.00 0.00 C ATOM 62 O GLY A 191 0.613 11.019 0.952 1.00 0.00 O ATOM 0 H GLY A 191 3.085 10.389 2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 191 1.402 8.588 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 191 0.352 9.869 3.528 1.00 0.00 H new ATOM 66 N GLY A 192 0.323 8.800 0.720 1.00 0.00 N ATOM 67 CA GLY A 192 -0.154 8.917 -0.646 1.00 0.00 C ATOM 68 C GLY A 192 -1.577 9.434 -0.721 1.00 0.00 C ATOM 69 O GLY A 192 -2.017 10.186 0.148 1.00 0.00 O ATOM 0 H GLY A 192 0.363 7.846 1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 192 0.503 9.587 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -0.099 7.943 -1.132 1.00 0.00 H new ATOM 73 N GLU A 193 -2.296 9.032 -1.764 1.00 0.00 N ATOM 74 CA GLU A 193 -3.677 9.463 -1.949 1.00 0.00 C ATOM 75 C GLU A 193 -4.583 8.272 -2.249 1.00 0.00 C ATOM 76 O GLU A 193 -5.644 8.421 -2.855 1.00 0.00 O ATOM 77 CB GLU A 193 -3.768 10.485 -3.084 1.00 0.00 C ATOM 78 CG GLU A 193 -5.077 11.256 -3.106 1.00 0.00 C ATOM 79 CD GLU A 193 -5.896 10.981 -4.352 1.00 0.00 C ATOM 80 OE1 GLU A 193 -5.395 11.257 -5.463 1.00 0.00 O ATOM 81 OE2 GLU A 193 -7.036 10.491 -4.217 1.00 0.00 O ATOM 0 H GLU A 193 -1.946 8.410 -2.493 1.00 0.00 H new ATOM 0 HA GLU A 193 -4.012 9.929 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.942 11.191 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.644 9.970 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -5.663 10.994 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -4.866 12.324 -3.043 1.00 0.00 H new ATOM 88 N LYS A 194 -4.155 7.089 -1.822 1.00 0.00 N ATOM 89 CA LYS A 194 -4.926 5.870 -2.043 1.00 0.00 C ATOM 90 C LYS A 194 -5.383 5.268 -0.718 1.00 0.00 C ATOM 91 O LYS A 194 -4.782 5.491 0.333 1.00 0.00 O ATOM 92 CB LYS A 194 -4.092 4.849 -2.819 1.00 0.00 C ATOM 93 CG LYS A 194 -4.008 5.137 -4.308 1.00 0.00 C ATOM 94 CD LYS A 194 -3.155 6.362 -4.592 1.00 0.00 C ATOM 95 CE LYS A 194 -2.276 6.157 -5.817 1.00 0.00 C ATOM 96 NZ LYS A 194 -3.074 6.139 -7.074 1.00 0.00 N ATOM 0 H LYS A 194 -3.278 6.948 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 194 -5.809 6.129 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 194 -3.084 4.826 -2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 194 -4.520 3.857 -2.673 1.00 0.00 H new ATOM 0 HG2 LYS A 194 -3.589 4.273 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 194 -5.011 5.290 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 194 -3.799 7.228 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 194 -2.530 6.580 -3.726 1.00 0.00 H new ATOM 0 HE2 LYS A 194 -1.534 6.954 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 194 -1.730 5.219 -5.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 194 -2.440 5.997 -7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 194 -3.765 5.363 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 194 -3.575 7.044 -7.180 1.00 0.00 H new ATOM 110 N PRO A 195 -6.471 4.486 -0.767 1.00 0.00 N ATOM 111 CA PRO A 195 -7.032 3.834 0.420 1.00 0.00 C ATOM 112 C PRO A 195 -6.134 2.719 0.947 1.00 0.00 C ATOM 113 O PRO A 195 -6.136 2.421 2.142 1.00 0.00 O ATOM 114 CB PRO A 195 -8.358 3.258 -0.084 1.00 0.00 C ATOM 115 CG PRO A 195 -8.157 3.070 -1.548 1.00 0.00 C ATOM 116 CD PRO A 195 -7.238 4.177 -1.986 1.00 0.00 C ATOM 0 HA PRO A 195 -7.142 4.529 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 195 -8.592 2.314 0.408 1.00 0.00 H new ATOM 0 HB3 PRO A 195 -9.187 3.937 0.118 1.00 0.00 H new ATOM 0 HG2 PRO A 195 -7.721 2.094 -1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 195 -9.106 3.117 -2.081 1.00 0.00 H new ATOM 0 HD2 PRO A 195 -6.587 3.860 -2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 195 -7.794 5.044 -2.341 1.00 0.00 H new ATOM 124 N TYR A 196 -5.369 2.108 0.050 1.00 0.00 N ATOM 125 CA TYR A 196 -4.467 1.025 0.426 1.00 0.00 C ATOM 126 C TYR A 196 -3.154 1.575 0.974 1.00 0.00 C ATOM 127 O TYR A 196 -2.304 2.051 0.221 1.00 0.00 O ATOM 128 CB TYR A 196 -4.192 0.122 -0.778 1.00 0.00 C ATOM 129 CG TYR A 196 -5.425 -0.189 -1.596 1.00 0.00 C ATOM 130 CD1 TYR A 196 -6.227 -1.282 -1.291 1.00 0.00 C ATOM 131 CD2 TYR A 196 -5.788 0.610 -2.673 1.00 0.00 C ATOM 132 CE1 TYR A 196 -7.354 -1.570 -2.036 1.00 0.00 C ATOM 133 CE2 TYR A 196 -6.914 0.329 -3.423 1.00 0.00 C ATOM 134 CZ TYR A 196 -7.693 -0.762 -3.101 1.00 0.00 C ATOM 135 OH TYR A 196 -8.816 -1.046 -3.844 1.00 0.00 O ATOM 0 H TYR A 196 -5.355 2.344 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 196 -4.949 0.439 1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 196 -3.452 0.601 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 196 -3.753 -0.812 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 196 -5.965 -1.917 -0.458 1.00 0.00 H new ATOM 0 HD2 TYR A 196 -5.180 1.465 -2.928 1.00 0.00 H new ATOM 0 HE1 TYR A 196 -7.967 -2.424 -1.786 1.00 0.00 H new ATOM 0 HE2 TYR A 196 -7.182 0.961 -4.257 1.00 0.00 H new ATOM 0 HH TYR A 196 -8.914 -0.380 -4.556 1.00 0.00 H new ATOM 145 N ARG A 197 -2.996 1.505 2.292 1.00 0.00 N ATOM 146 CA ARG A 197 -1.787 1.996 2.943 1.00 0.00 C ATOM 147 C ARG A 197 -1.375 1.076 4.089 1.00 0.00 C ATOM 148 O ARG A 197 -2.034 1.027 5.128 1.00 0.00 O ATOM 149 CB ARG A 197 -2.006 3.416 3.469 1.00 0.00 C ATOM 150 CG ARG A 197 -0.875 3.920 4.350 1.00 0.00 C ATOM 151 CD ARG A 197 -0.340 5.257 3.860 1.00 0.00 C ATOM 152 NE ARG A 197 -0.049 6.168 4.963 1.00 0.00 N ATOM 153 CZ ARG A 197 1.064 6.115 5.686 1.00 0.00 C ATOM 154 NH1 ARG A 197 1.987 5.200 5.422 1.00 0.00 N ATOM 155 NH2 ARG A 197 1.257 6.979 6.674 1.00 0.00 N ATOM 0 H ARG A 197 -3.689 1.113 2.929 1.00 0.00 H new ATOM 0 HA ARG A 197 -0.986 2.009 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 197 -2.126 4.093 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A 197 -2.937 3.445 4.035 1.00 0.00 H new ATOM 0 HG2 ARG A 197 -1.229 4.023 5.376 1.00 0.00 H new ATOM 0 HG3 ARG A 197 -0.068 3.187 4.363 1.00 0.00 H new ATOM 0 HD2 ARG A 197 0.566 5.093 3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 197 -1.069 5.717 3.193 1.00 0.00 H new ATOM 0 HE ARG A 197 -0.738 6.885 5.191 1.00 0.00 H new ATOM 0 HH11 ARG A 197 1.843 4.535 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 197 2.841 5.161 5.979 1.00 0.00 H new ATOM 0 HH21 ARG A 197 0.550 7.685 6.879 1.00 0.00 H new ATOM 0 HH22 ARG A 197 2.112 6.937 7.228 1.00 0.00 H new ATOM 169 N CYS A 198 -0.281 0.348 3.892 1.00 0.00 N ATOM 170 CA CYS A 198 0.219 -0.571 4.907 1.00 0.00 C ATOM 171 C CYS A 198 0.694 0.188 6.142 1.00 0.00 C ATOM 172 O CYS A 198 1.458 1.148 6.038 1.00 0.00 O ATOM 173 CB CYS A 198 1.364 -1.414 4.341 1.00 0.00 C ATOM 174 SG CYS A 198 1.752 -2.897 5.325 1.00 0.00 S ATOM 0 H CYS A 198 0.276 0.377 3.038 1.00 0.00 H new ATOM 0 HA CYS A 198 -0.599 -1.230 5.200 1.00 0.00 H new ATOM 0 HB2 CYS A 198 1.108 -1.721 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 198 2.257 -0.794 4.271 1.00 0.00 H new ATOM 179 N ASP A 199 0.236 -0.248 7.310 1.00 0.00 N ATOM 180 CA ASP A 199 0.614 0.389 8.566 1.00 0.00 C ATOM 181 C ASP A 199 1.837 -0.291 9.174 1.00 0.00 C ATOM 182 O ASP A 199 2.415 0.201 10.142 1.00 0.00 O ATOM 183 CB ASP A 199 -0.552 0.348 9.555 1.00 0.00 C ATOM 184 CG ASP A 199 -1.432 1.580 9.464 1.00 0.00 C ATOM 185 OD1 ASP A 199 -0.900 2.700 9.612 1.00 0.00 O ATOM 186 OD2 ASP A 199 -2.652 1.423 9.246 1.00 0.00 O ATOM 0 H ASP A 199 -0.398 -1.040 7.413 1.00 0.00 H new ATOM 0 HA ASP A 199 0.865 1.429 8.356 1.00 0.00 H new ATOM 0 HB2 ASP A 199 -1.155 -0.540 9.365 1.00 0.00 H new ATOM 0 HB3 ASP A 199 -0.162 0.258 10.569 1.00 0.00 H new ATOM 191 N GLN A 200 2.223 -1.426 8.599 1.00 0.00 N ATOM 192 CA GLN A 200 3.376 -2.175 9.087 1.00 0.00 C ATOM 193 C GLN A 200 4.678 -1.513 8.649 1.00 0.00 C ATOM 194 O GLN A 200 5.659 -1.496 9.394 1.00 0.00 O ATOM 195 CB GLN A 200 3.326 -3.616 8.578 1.00 0.00 C ATOM 196 CG GLN A 200 2.083 -4.374 9.017 1.00 0.00 C ATOM 197 CD GLN A 200 2.038 -4.602 10.515 1.00 0.00 C ATOM 198 OE1 GLN A 200 3.057 -4.509 11.200 1.00 0.00 O ATOM 199 NE2 GLN A 200 0.852 -4.903 11.032 1.00 0.00 N ATOM 0 H GLN A 200 1.755 -1.847 7.796 1.00 0.00 H new ATOM 0 HA GLN A 200 3.341 -2.181 10.176 1.00 0.00 H new ATOM 0 HB2 GLN A 200 3.372 -3.610 7.489 1.00 0.00 H new ATOM 0 HB3 GLN A 200 4.209 -4.148 8.931 1.00 0.00 H new ATOM 0 HG2 GLN A 200 1.196 -3.819 8.711 1.00 0.00 H new ATOM 0 HG3 GLN A 200 2.049 -5.336 8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 200 0.034 -4.970 10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 200 0.760 -5.068 12.034 1.00 0.00 H new ATOM 208 N CYS A 201 4.682 -0.969 7.437 1.00 0.00 N ATOM 209 CA CYS A 201 5.864 -0.307 6.899 1.00 0.00 C ATOM 210 C CYS A 201 5.568 1.153 6.572 1.00 0.00 C ATOM 211 O CYS A 201 6.438 2.016 6.689 1.00 0.00 O ATOM 212 CB CYS A 201 6.355 -1.033 5.644 1.00 0.00 C ATOM 213 SG CYS A 201 5.129 -1.102 4.299 1.00 0.00 S ATOM 0 H CYS A 201 3.879 -0.974 6.808 1.00 0.00 H new ATOM 0 HA CYS A 201 6.645 -0.340 7.658 1.00 0.00 H new ATOM 0 HB2 CYS A 201 7.253 -0.536 5.278 1.00 0.00 H new ATOM 0 HB3 CYS A 201 6.641 -2.050 5.914 1.00 0.00 H new ATOM 218 N GLY A 202 4.333 1.424 6.161 1.00 0.00 N ATOM 219 CA GLY A 202 3.943 2.780 5.823 1.00 0.00 C ATOM 220 C GLY A 202 3.991 3.043 4.331 1.00 0.00 C ATOM 221 O GLY A 202 4.426 4.109 3.894 1.00 0.00 O ATOM 0 H GLY A 202 3.595 0.728 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 202 2.933 2.966 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 202 4.602 3.482 6.334 1.00 0.00 H new ATOM 225 N LYS A 203 3.546 2.068 3.546 1.00 0.00 N ATOM 226 CA LYS A 203 3.540 2.198 2.094 1.00 0.00 C ATOM 227 C LYS A 203 2.142 2.534 1.583 1.00 0.00 C ATOM 228 O LYS A 203 1.201 2.665 2.365 1.00 0.00 O ATOM 229 CB LYS A 203 4.034 0.903 1.444 1.00 0.00 C ATOM 230 CG LYS A 203 5.514 0.920 1.103 1.00 0.00 C ATOM 231 CD LYS A 203 5.757 1.449 -0.301 1.00 0.00 C ATOM 232 CE LYS A 203 7.073 2.206 -0.391 1.00 0.00 C ATOM 233 NZ LYS A 203 8.240 1.284 -0.458 1.00 0.00 N ATOM 0 H LYS A 203 3.185 1.179 3.891 1.00 0.00 H new ATOM 0 HA LYS A 203 4.212 3.013 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 203 3.834 0.069 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 203 3.462 0.722 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 203 6.047 1.540 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 203 5.920 -0.088 1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 203 5.764 0.619 -1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 203 4.937 2.107 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS A 203 7.064 2.846 -1.274 1.00 0.00 H new ATOM 0 HE3 LYS A 203 7.176 2.860 0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 203 9.118 1.839 -0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 203 8.263 0.691 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 203 8.155 0.677 -1.299 1.00 0.00 H new ATOM 247 N ALA A 204 2.015 2.671 0.267 1.00 0.00 N ATOM 248 CA ALA A 204 0.732 2.989 -0.347 1.00 0.00 C ATOM 249 C ALA A 204 0.575 2.281 -1.689 1.00 0.00 C ATOM 250 O ALA A 204 1.521 2.198 -2.472 1.00 0.00 O ATOM 251 CB ALA A 204 0.589 4.494 -0.522 1.00 0.00 C ATOM 0 H ALA A 204 2.785 2.567 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 204 -0.058 2.635 0.316 1.00 0.00 H new ATOM 0 HB1 ALA A 204 -0.374 4.717 -0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 204 0.648 4.981 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 204 1.391 4.864 -1.161 1.00 0.00 H new ATOM 257 N PHE A 205 -0.624 1.771 -1.947 1.00 0.00 N ATOM 258 CA PHE A 205 -0.904 1.068 -3.194 1.00 0.00 C ATOM 259 C PHE A 205 -2.217 1.548 -3.806 1.00 0.00 C ATOM 260 O PHE A 205 -3.025 2.195 -3.140 1.00 0.00 O ATOM 261 CB PHE A 205 -0.963 -0.441 -2.951 1.00 0.00 C ATOM 262 CG PHE A 205 0.150 -0.952 -2.081 1.00 0.00 C ATOM 263 CD1 PHE A 205 0.039 -0.920 -0.700 1.00 0.00 C ATOM 264 CD2 PHE A 205 1.307 -1.466 -2.645 1.00 0.00 C ATOM 265 CE1 PHE A 205 1.062 -1.389 0.101 1.00 0.00 C ATOM 266 CE2 PHE A 205 2.333 -1.937 -1.848 1.00 0.00 C ATOM 267 CZ PHE A 205 2.210 -1.899 -0.473 1.00 0.00 C ATOM 0 H PHE A 205 -1.418 1.831 -1.309 1.00 0.00 H new ATOM 0 HA PHE A 205 -0.097 1.285 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 205 -1.918 -0.689 -2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 205 -0.930 -0.957 -3.911 1.00 0.00 H new ATOM 0 HD1 PHE A 205 -0.857 -0.524 -0.245 1.00 0.00 H new ATOM 0 HD2 PHE A 205 1.408 -1.499 -3.720 1.00 0.00 H new ATOM 0 HE1 PHE A 205 0.964 -1.357 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 205 3.230 -2.334 -2.300 1.00 0.00 H new ATOM 0 HZ PHE A 205 3.010 -2.267 0.152 1.00 0.00 H new ATOM 277 N SER A 206 -2.421 1.227 -5.079 1.00 0.00 N ATOM 278 CA SER A 206 -3.633 1.628 -5.783 1.00 0.00 C ATOM 279 C SER A 206 -4.605 0.458 -5.903 1.00 0.00 C ATOM 280 O SER A 206 -5.806 0.652 -6.091 1.00 0.00 O ATOM 281 CB SER A 206 -3.287 2.162 -7.175 1.00 0.00 C ATOM 282 OG SER A 206 -2.056 2.863 -7.160 1.00 0.00 O ATOM 0 H SER A 206 -1.763 0.690 -5.644 1.00 0.00 H new ATOM 0 HA SER A 206 -4.113 2.419 -5.206 1.00 0.00 H new ATOM 0 HB2 SER A 206 -3.229 1.334 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 206 -4.081 2.823 -7.522 1.00 0.00 H new ATOM 0 HG SER A 206 -1.856 3.193 -8.061 1.00 0.00 H new ATOM 288 N GLN A 207 -4.076 -0.756 -5.792 1.00 0.00 N ATOM 289 CA GLN A 207 -4.896 -1.958 -5.888 1.00 0.00 C ATOM 290 C GLN A 207 -4.741 -2.824 -4.642 1.00 0.00 C ATOM 291 O GLN A 207 -3.641 -2.978 -4.112 1.00 0.00 O ATOM 292 CB GLN A 207 -4.515 -2.762 -7.132 1.00 0.00 C ATOM 293 CG GLN A 207 -5.404 -2.482 -8.333 1.00 0.00 C ATOM 294 CD GLN A 207 -4.940 -3.203 -9.584 1.00 0.00 C ATOM 295 OE1 GLN A 207 -5.549 -4.183 -10.011 1.00 0.00 O ATOM 296 NE2 GLN A 207 -3.855 -2.719 -10.178 1.00 0.00 N ATOM 0 H GLN A 207 -3.084 -0.933 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 207 -5.939 -1.651 -5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 207 -3.481 -2.539 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 207 -4.562 -3.825 -6.896 1.00 0.00 H new ATOM 0 HG2 GLN A 207 -6.426 -2.784 -8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 207 -5.424 -1.409 -8.523 1.00 0.00 H new ATOM 0 HE21 GLN A 207 -3.381 -1.904 -9.789 1.00 0.00 H new ATOM 0 HE22 GLN A 207 -3.496 -3.163 -11.023 1.00 0.00 H new ATOM 305 N LYS A 208 -5.852 -3.386 -4.177 1.00 0.00 N ATOM 306 CA LYS A 208 -5.841 -4.237 -2.993 1.00 0.00 C ATOM 307 C LYS A 208 -4.893 -5.418 -3.180 1.00 0.00 C ATOM 308 O LYS A 208 -3.970 -5.616 -2.392 1.00 0.00 O ATOM 309 CB LYS A 208 -7.253 -4.746 -2.692 1.00 0.00 C ATOM 310 CG LYS A 208 -7.524 -4.947 -1.211 1.00 0.00 C ATOM 311 CD LYS A 208 -7.074 -6.321 -0.744 1.00 0.00 C ATOM 312 CE LYS A 208 -6.422 -6.257 0.629 1.00 0.00 C ATOM 313 NZ LYS A 208 -7.433 -6.183 1.720 1.00 0.00 N ATOM 0 H LYS A 208 -6.771 -3.267 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 208 -5.489 -3.641 -2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -7.979 -4.038 -3.093 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -7.408 -5.691 -3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -7.005 -4.179 -0.638 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.589 -4.826 -1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -7.931 -6.994 -0.710 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -6.370 -6.738 -1.463 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -5.794 -7.136 0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -5.768 -5.387 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -6.949 -6.141 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -8.016 -5.331 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -8.041 -7.026 1.687 1.00 0.00 H new ATOM 327 N GLY A 209 -5.128 -6.199 -4.230 1.00 0.00 N ATOM 328 CA GLY A 209 -4.286 -7.349 -4.503 1.00 0.00 C ATOM 329 C GLY A 209 -2.809 -7.015 -4.431 1.00 0.00 C ATOM 330 O GLY A 209 -2.025 -7.761 -3.845 1.00 0.00 O ATOM 0 H GLY A 209 -5.887 -6.056 -4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 209 -4.512 -8.139 -3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 209 -4.519 -7.740 -5.493 1.00 0.00 H new ATOM 334 N SER A 210 -2.428 -5.892 -5.032 1.00 0.00 N ATOM 335 CA SER A 210 -1.033 -5.464 -5.039 1.00 0.00 C ATOM 336 C SER A 210 -0.459 -5.462 -3.625 1.00 0.00 C ATOM 337 O SER A 210 0.688 -5.856 -3.407 1.00 0.00 O ATOM 338 CB SER A 210 -0.909 -4.069 -5.655 1.00 0.00 C ATOM 339 OG SER A 210 -1.792 -3.916 -6.752 1.00 0.00 O ATOM 0 H SER A 210 -3.065 -5.262 -5.520 1.00 0.00 H new ATOM 0 HA SER A 210 -0.464 -6.171 -5.642 1.00 0.00 H new ATOM 0 HB2 SER A 210 -1.128 -3.314 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 210 0.117 -3.903 -5.984 1.00 0.00 H new ATOM 0 HG SER A 210 -1.454 -3.216 -7.349 1.00 0.00 H new ATOM 345 N LEU A 211 -1.264 -5.015 -2.667 1.00 0.00 N ATOM 346 CA LEU A 211 -0.837 -4.960 -1.273 1.00 0.00 C ATOM 347 C LEU A 211 -0.731 -6.361 -0.681 1.00 0.00 C ATOM 348 O LEU A 211 0.114 -6.621 0.176 1.00 0.00 O ATOM 349 CB LEU A 211 -1.817 -4.119 -0.452 1.00 0.00 C ATOM 350 CG LEU A 211 -1.750 -4.301 1.064 1.00 0.00 C ATOM 351 CD1 LEU A 211 -0.325 -4.114 1.562 1.00 0.00 C ATOM 352 CD2 LEU A 211 -2.692 -3.329 1.760 1.00 0.00 C ATOM 0 H LEU A 211 -2.215 -4.686 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 211 0.148 -4.496 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.642 -3.068 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -2.829 -4.352 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 211 -2.066 -5.316 1.303 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -0.297 -4.247 2.643 1.00 0.00 H new ATOM 0 HD12 LEU A 211 0.325 -4.850 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 211 0.019 -3.111 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -2.631 -3.473 2.839 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -2.407 -2.306 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -3.714 -3.511 1.427 1.00 0.00 H new ATOM 364 N ILE A 212 -1.593 -7.261 -1.145 1.00 0.00 N ATOM 365 CA ILE A 212 -1.594 -8.636 -0.663 1.00 0.00 C ATOM 366 C ILE A 212 -0.259 -9.318 -0.944 1.00 0.00 C ATOM 367 O ILE A 212 0.182 -10.180 -0.184 1.00 0.00 O ATOM 368 CB ILE A 212 -2.724 -9.459 -1.309 1.00 0.00 C ATOM 369 CG1 ILE A 212 -4.053 -8.709 -1.205 1.00 0.00 C ATOM 370 CG2 ILE A 212 -2.828 -10.826 -0.651 1.00 0.00 C ATOM 371 CD1 ILE A 212 -5.237 -9.506 -1.707 1.00 0.00 C ATOM 0 H ILE A 212 -2.299 -7.062 -1.854 1.00 0.00 H new ATOM 0 HA ILE A 212 -1.758 -8.592 0.414 1.00 0.00 H new ATOM 0 HB ILE A 212 -2.491 -9.603 -2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 212 -4.225 -8.434 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 212 -3.983 -7.781 -1.773 1.00 0.00 H new ATOM 0 HG21 ILE A 212 -3.631 -11.395 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 212 -1.886 -11.361 -0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 212 -3.041 -10.703 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 212 -6.145 -8.913 -1.603 1.00 0.00 H new ATOM 0 HD12 ILE A 212 -5.087 -9.759 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 212 -5.333 -10.422 -1.123 1.00 0.00 H new ATOM 383 N VAL A 213 0.381 -8.925 -2.040 1.00 0.00 N ATOM 384 CA VAL A 213 1.667 -9.496 -2.421 1.00 0.00 C ATOM 385 C VAL A 213 2.801 -8.897 -1.596 1.00 0.00 C ATOM 386 O VAL A 213 3.930 -9.387 -1.623 1.00 0.00 O ATOM 387 CB VAL A 213 1.961 -9.270 -3.916 1.00 0.00 C ATOM 388 CG1 VAL A 213 3.198 -10.047 -4.341 1.00 0.00 C ATOM 389 CG2 VAL A 213 0.758 -9.663 -4.760 1.00 0.00 C ATOM 0 H VAL A 213 0.030 -8.213 -2.680 1.00 0.00 H new ATOM 0 HA VAL A 213 1.607 -10.567 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 213 2.156 -8.209 -4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 213 3.390 -9.875 -5.400 1.00 0.00 H new ATOM 0 HG12 VAL A 213 4.056 -9.712 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 213 3.036 -11.111 -4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 213 0.983 -9.497 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 213 0.529 -10.717 -4.599 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -0.102 -9.057 -4.473 1.00 0.00 H new ATOM 399 N HIS A 214 2.492 -7.833 -0.861 1.00 0.00 N ATOM 400 CA HIS A 214 3.484 -7.166 -0.025 1.00 0.00 C ATOM 401 C HIS A 214 3.432 -7.693 1.406 1.00 0.00 C ATOM 402 O HIS A 214 4.448 -7.736 2.099 1.00 0.00 O ATOM 403 CB HIS A 214 3.257 -5.654 -0.033 1.00 0.00 C ATOM 404 CG HIS A 214 3.745 -4.968 1.205 1.00 0.00 C ATOM 405 ND1 HIS A 214 5.058 -4.588 1.387 1.00 0.00 N ATOM 406 CD2 HIS A 214 3.087 -4.593 2.327 1.00 0.00 C ATOM 407 CE1 HIS A 214 5.187 -4.010 2.568 1.00 0.00 C ATOM 408 NE2 HIS A 214 4.005 -4.000 3.158 1.00 0.00 N ATOM 0 H HIS A 214 1.562 -7.414 -0.827 1.00 0.00 H new ATOM 0 HA HIS A 214 4.471 -7.379 -0.436 1.00 0.00 H new ATOM 0 HB2 HIS A 214 3.760 -5.224 -0.899 1.00 0.00 H new ATOM 0 HB3 HIS A 214 2.192 -5.456 -0.152 1.00 0.00 H new ATOM 0 HD1 HIS A 214 5.812 -4.731 0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 214 2.036 -4.734 2.531 1.00 0.00 H new ATOM 0 HE1 HIS A 214 6.103 -3.613 2.981 1.00 0.00 H new ATOM 416 N ILE A 215 2.241 -8.091 1.841 1.00 0.00 N ATOM 417 CA ILE A 215 2.057 -8.614 3.189 1.00 0.00 C ATOM 418 C ILE A 215 2.963 -9.815 3.441 1.00 0.00 C ATOM 419 O ILE A 215 3.257 -10.154 4.588 1.00 0.00 O ATOM 420 CB ILE A 215 0.595 -9.029 3.437 1.00 0.00 C ATOM 421 CG1 ILE A 215 -0.338 -7.833 3.235 1.00 0.00 C ATOM 422 CG2 ILE A 215 0.436 -9.600 4.838 1.00 0.00 C ATOM 423 CD1 ILE A 215 -1.785 -8.223 3.026 1.00 0.00 C ATOM 0 H ILE A 215 1.390 -8.061 1.280 1.00 0.00 H new ATOM 0 HA ILE A 215 2.321 -7.811 3.877 1.00 0.00 H new ATOM 0 HB ILE A 215 0.326 -9.803 2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 215 -0.269 -7.178 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 215 0.003 -7.258 2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 215 -0.603 -9.889 4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 215 1.077 -10.475 4.949 1.00 0.00 H new ATOM 0 HG23 ILE A 215 0.720 -8.846 5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 215 -2.388 -7.325 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 215 -1.868 -8.853 2.141 1.00 0.00 H new ATOM 0 HD13 ILE A 215 -2.143 -8.772 3.897 1.00 0.00 H new ATOM 435 N ARG A 216 3.405 -10.452 2.362 1.00 0.00 N ATOM 436 CA ARG A 216 4.279 -11.614 2.466 1.00 0.00 C ATOM 437 C ARG A 216 5.528 -11.285 3.279 1.00 0.00 C ATOM 438 O ARG A 216 6.140 -12.166 3.882 1.00 0.00 O ATOM 439 CB ARG A 216 4.679 -12.105 1.073 1.00 0.00 C ATOM 440 CG ARG A 216 3.494 -12.399 0.168 1.00 0.00 C ATOM 441 CD ARG A 216 3.946 -12.795 -1.229 1.00 0.00 C ATOM 442 NE ARG A 216 3.644 -14.192 -1.527 1.00 0.00 N ATOM 443 CZ ARG A 216 3.605 -14.690 -2.757 1.00 0.00 C ATOM 444 NH1 ARG A 216 3.848 -13.908 -3.800 1.00 0.00 N ATOM 445 NH2 ARG A 216 3.323 -15.973 -2.947 1.00 0.00 N ATOM 0 H ARG A 216 3.172 -10.183 1.406 1.00 0.00 H new ATOM 0 HA ARG A 216 3.731 -12.404 2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 216 5.310 -11.353 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 216 5.281 -13.008 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 216 2.895 -13.201 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 216 2.853 -11.520 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 216 3.458 -12.154 -1.963 1.00 0.00 H new ATOM 0 HD3 ARG A 216 5.019 -12.628 -1.324 1.00 0.00 H new ATOM 0 HE ARG A 216 3.452 -14.820 -0.747 1.00 0.00 H new ATOM 0 HH11 ARG A 216 4.065 -12.922 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 216 3.817 -14.293 -4.744 1.00 0.00 H new ATOM 0 HH21 ARG A 216 3.136 -16.578 -2.147 1.00 0.00 H new ATOM 0 HH22 ARG A 216 3.293 -16.354 -3.893 1.00 0.00 H new ATOM 459 N VAL A 217 5.901 -10.009 3.289 1.00 0.00 N ATOM 460 CA VAL A 217 7.076 -9.562 4.028 1.00 0.00 C ATOM 461 C VAL A 217 6.750 -9.346 5.501 1.00 0.00 C ATOM 462 O VAL A 217 7.631 -9.411 6.359 1.00 0.00 O ATOM 463 CB VAL A 217 7.644 -8.256 3.442 1.00 0.00 C ATOM 464 CG1 VAL A 217 7.860 -8.392 1.942 1.00 0.00 C ATOM 465 CG2 VAL A 217 6.720 -7.088 3.752 1.00 0.00 C ATOM 0 H VAL A 217 5.407 -9.267 2.794 1.00 0.00 H new ATOM 0 HA VAL A 217 7.825 -10.348 3.937 1.00 0.00 H new ATOM 0 HB VAL A 217 8.610 -8.060 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 217 8.262 -7.459 1.546 1.00 0.00 H new ATOM 0 HG12 VAL A 217 8.564 -9.201 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 217 6.910 -8.613 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 217 7.136 -6.173 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 217 5.739 -7.275 3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 217 6.622 -6.978 4.832 1.00 0.00 H new ATOM 475 N HIS A 218 5.478 -9.089 5.788 1.00 0.00 N ATOM 476 CA HIS A 218 5.034 -8.864 7.159 1.00 0.00 C ATOM 477 C HIS A 218 4.427 -10.133 7.749 1.00 0.00 C ATOM 478 O HIS A 218 5.045 -10.804 8.576 1.00 0.00 O ATOM 479 CB HIS A 218 4.013 -7.727 7.207 1.00 0.00 C ATOM 480 CG HIS A 218 4.581 -6.395 6.822 1.00 0.00 C ATOM 481 ND1 HIS A 218 5.638 -5.808 7.485 1.00 0.00 N ATOM 482 CD2 HIS A 218 4.235 -5.537 5.835 1.00 0.00 C ATOM 483 CE1 HIS A 218 5.916 -4.645 6.923 1.00 0.00 C ATOM 484 NE2 HIS A 218 5.079 -4.457 5.919 1.00 0.00 N ATOM 0 H HIS A 218 4.737 -9.031 5.090 1.00 0.00 H new ATOM 0 HA HIS A 218 5.904 -8.587 7.755 1.00 0.00 H new ATOM 0 HB2 HIS A 218 3.184 -7.966 6.541 1.00 0.00 H new ATOM 0 HB3 HIS A 218 3.603 -7.660 8.215 1.00 0.00 H new ATOM 0 HD1 HIS A 218 6.129 -6.209 8.284 1.00 0.00 H new ATOM 0 HD2 HIS A 218 3.442 -5.676 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 218 6.695 -3.964 7.232 1.00 0.00 H new ATOM 492 N THR A 219 3.212 -10.458 7.319 1.00 0.00 N ATOM 493 CA THR A 219 2.520 -11.645 7.806 1.00 0.00 C ATOM 494 C THR A 219 2.476 -12.732 6.737 1.00 0.00 C ATOM 495 O THR A 219 2.476 -12.441 5.542 1.00 0.00 O ATOM 496 CB THR A 219 1.081 -11.316 8.247 1.00 0.00 C ATOM 497 OG1 THR A 219 0.818 -9.921 8.059 1.00 0.00 O ATOM 498 CG2 THR A 219 0.865 -11.686 9.706 1.00 0.00 C ATOM 0 H THR A 219 2.686 -9.915 6.634 1.00 0.00 H new ATOM 0 HA THR A 219 3.081 -12.007 8.667 1.00 0.00 H new ATOM 0 HB THR A 219 0.394 -11.900 7.635 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.099 -9.720 8.340 1.00 0.00 H new ATOM 0 HG21 THR A 219 -0.158 -11.445 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 219 1.038 -12.754 9.840 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.560 -11.125 10.330 1.00 0.00 H new ATOM 506 N GLY A 220 2.437 -13.986 7.177 1.00 0.00 N ATOM 507 CA GLY A 220 2.392 -15.097 6.245 1.00 0.00 C ATOM 508 C GLY A 220 1.303 -14.937 5.204 1.00 0.00 C ATOM 509 O GLY A 220 0.125 -15.150 5.490 1.00 0.00 O ATOM 0 H GLY A 220 2.436 -14.252 8.162 1.00 0.00 H new ATOM 0 HA2 GLY A 220 3.357 -15.188 5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.230 -16.023 6.796 1.00 0.00 H new ATOM 513 N SER A 221 1.696 -14.559 3.991 1.00 0.00 N ATOM 514 CA SER A 221 0.743 -14.365 2.905 1.00 0.00 C ATOM 515 C SER A 221 1.009 -15.348 1.768 1.00 0.00 C ATOM 516 O SER A 221 1.429 -14.957 0.680 1.00 0.00 O ATOM 517 CB SER A 221 0.820 -12.930 2.381 1.00 0.00 C ATOM 518 OG SER A 221 0.088 -12.786 1.176 1.00 0.00 O ATOM 0 H SER A 221 2.668 -14.381 3.736 1.00 0.00 H new ATOM 0 HA SER A 221 -0.258 -14.549 3.295 1.00 0.00 H new ATOM 0 HB2 SER A 221 0.428 -12.244 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 221 1.862 -12.657 2.212 1.00 0.00 H new ATOM 0 HG SER A 221 0.497 -13.338 0.477 1.00 0.00 H new ATOM 524 N GLY A 222 0.759 -16.627 2.030 1.00 0.00 N ATOM 525 CA GLY A 222 0.976 -17.647 1.020 1.00 0.00 C ATOM 526 C GLY A 222 1.305 -18.998 1.623 1.00 0.00 C ATOM 527 O GLY A 222 1.582 -19.119 2.816 1.00 0.00 O ATOM 0 H GLY A 222 0.410 -16.975 2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 222 0.084 -17.736 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 222 1.790 -17.337 0.364 1.00 0.00 H new ATOM 531 N PRO A 223 1.276 -20.046 0.786 1.00 0.00 N ATOM 532 CA PRO A 223 1.570 -21.415 1.221 1.00 0.00 C ATOM 533 C PRO A 223 3.042 -21.609 1.569 1.00 0.00 C ATOM 534 O PRO A 223 3.831 -22.066 0.742 1.00 0.00 O ATOM 535 CB PRO A 223 1.193 -22.263 0.004 1.00 0.00 C ATOM 536 CG PRO A 223 1.329 -21.341 -1.158 1.00 0.00 C ATOM 537 CD PRO A 223 0.955 -19.976 -0.649 1.00 0.00 C ATOM 0 HA PRO A 223 1.026 -21.680 2.128 1.00 0.00 H new ATOM 0 HB2 PRO A 223 1.851 -23.126 -0.096 1.00 0.00 H new ATOM 0 HB3 PRO A 223 0.176 -22.646 0.088 1.00 0.00 H new ATOM 0 HG2 PRO A 223 2.348 -21.348 -1.544 1.00 0.00 H new ATOM 0 HG3 PRO A 223 0.676 -21.645 -1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 223 1.522 -19.191 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 223 -0.101 -19.761 -0.814 1.00 0.00 H new ATOM 545 N SER A 224 3.406 -21.259 2.799 1.00 0.00 N ATOM 546 CA SER A 224 4.784 -21.392 3.256 1.00 0.00 C ATOM 547 C SER A 224 5.291 -22.815 3.046 1.00 0.00 C ATOM 548 O SER A 224 6.475 -23.032 2.788 1.00 0.00 O ATOM 549 CB SER A 224 4.893 -21.012 4.734 1.00 0.00 C ATOM 550 OG SER A 224 3.842 -21.590 5.487 1.00 0.00 O ATOM 0 H SER A 224 2.765 -20.881 3.497 1.00 0.00 H new ATOM 0 HA SER A 224 5.403 -20.714 2.668 1.00 0.00 H new ATOM 0 HB2 SER A 224 5.853 -21.345 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 224 4.865 -19.927 4.837 1.00 0.00 H new ATOM 0 HG SER A 224 3.935 -21.334 6.428 1.00 0.00 H new ATOM 556 N SER A 225 4.386 -23.782 3.159 1.00 0.00 N ATOM 557 CA SER A 225 4.741 -25.185 2.985 1.00 0.00 C ATOM 558 C SER A 225 5.929 -25.558 3.867 1.00 0.00 C ATOM 559 O SER A 225 6.871 -26.208 3.416 1.00 0.00 O ATOM 560 CB SER A 225 5.069 -25.473 1.519 1.00 0.00 C ATOM 561 OG SER A 225 4.341 -24.617 0.656 1.00 0.00 O ATOM 0 H SER A 225 3.402 -23.619 3.370 1.00 0.00 H new ATOM 0 HA SER A 225 3.885 -25.790 3.283 1.00 0.00 H new ATOM 0 HB2 SER A 225 6.138 -25.342 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 225 4.835 -26.512 1.288 1.00 0.00 H new ATOM 0 HG SER A 225 4.656 -23.696 0.767 1.00 0.00 H new ATOM 567 N GLY A 226 5.876 -25.140 5.128 1.00 0.00 N ATOM 568 CA GLY A 226 6.954 -25.439 6.054 1.00 0.00 C ATOM 569 C GLY A 226 7.980 -24.326 6.127 1.00 0.00 C ATOM 570 O GLY A 226 7.598 -23.169 6.296 1.00 0.00 O ATOM 0 H GLY A 226 5.107 -24.600 5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.539 -25.612 7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 226 7.445 -26.363 5.749 1.00 0.00 H new TER 574 GLY A 226 HETATM 575 ZN ZN A 301 4.047 -3.160 4.862 1.00 0.00 ZN