USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=17 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= -0.118 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot -28:sc= 0.683 USER MOD Single : A 188 SER OG : rot 32:sc= 0.157 USER MOD Single : A 190 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0092) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= -1.65 K(o=-1.6,f=-2.3) 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 12:sc= 0.587 USER MOD Single : A 200 LYS NZ :NH3+ 168:sc=-0.00168 (180deg=-0.111) USER MOD Single : A 206 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 208 GLN : amide:sc= -1 K(o=-1,f=-4.4!) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= -0.119 K(o=-0.12,f=-2!) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 223 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.5) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ -164:sc= -0.013 (180deg=-0.188) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= -0.99 K(o=-0.99,f=-3.2!) USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 183 -27.679 4.195 5.409 1.00 0.00 N ATOM 2 CA GLY A 183 -26.733 3.927 4.343 1.00 0.00 C ATOM 3 C GLY A 183 -27.401 3.825 2.986 1.00 0.00 C ATOM 4 O GLY A 183 -28.606 4.044 2.862 1.00 0.00 O ATOM 0 HA2 GLY A 183 -25.985 4.720 4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -26.205 2.997 4.555 1.00 0.00 H new ATOM 8 N SER A 184 -26.617 3.492 1.965 1.00 0.00 N ATOM 9 CA SER A 184 -27.139 3.367 0.610 1.00 0.00 C ATOM 10 C SER A 184 -26.694 2.053 -0.025 1.00 0.00 C ATOM 11 O SER A 184 -27.505 1.314 -0.583 1.00 0.00 O ATOM 12 CB SER A 184 -26.675 4.545 -0.249 1.00 0.00 C ATOM 13 OG SER A 184 -25.262 4.570 -0.359 1.00 0.00 O ATOM 0 H SER A 184 -25.618 3.304 2.051 1.00 0.00 H new ATOM 0 HA SER A 184 -28.228 3.373 0.665 1.00 0.00 H new ATOM 0 HB2 SER A 184 -27.119 4.472 -1.242 1.00 0.00 H new ATOM 0 HB3 SER A 184 -27.025 5.479 0.189 1.00 0.00 H new ATOM 0 HG SER A 184 -24.990 5.331 -0.914 1.00 0.00 H new ATOM 19 N SER A 185 -25.399 1.769 0.065 1.00 0.00 N ATOM 20 CA SER A 185 -24.843 0.547 -0.503 1.00 0.00 C ATOM 21 C SER A 185 -25.466 -0.686 0.145 1.00 0.00 C ATOM 22 O SER A 185 -25.626 -0.747 1.363 1.00 0.00 O ATOM 23 CB SER A 185 -23.324 0.519 -0.321 1.00 0.00 C ATOM 24 OG SER A 185 -22.704 -0.262 -1.329 1.00 0.00 O ATOM 0 H SER A 185 -24.715 2.369 0.526 1.00 0.00 H new ATOM 0 HA SER A 185 -25.075 0.533 -1.568 1.00 0.00 H new ATOM 0 HB2 SER A 185 -22.932 1.536 -0.352 1.00 0.00 H new ATOM 0 HB3 SER A 185 -23.080 0.113 0.660 1.00 0.00 H new ATOM 0 HG SER A 185 -21.734 -0.263 -1.192 1.00 0.00 H new ATOM 30 N GLY A 186 -25.817 -1.667 -0.681 1.00 0.00 N ATOM 31 CA GLY A 186 -26.420 -2.886 -0.171 1.00 0.00 C ATOM 32 C GLY A 186 -26.192 -4.072 -1.087 1.00 0.00 C ATOM 33 O GLY A 186 -25.168 -4.154 -1.765 1.00 0.00 O ATOM 0 H GLY A 186 -25.695 -1.640 -1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -26.008 -3.107 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -27.491 -2.731 -0.041 1.00 0.00 H new ATOM 37 N SER A 187 -27.148 -4.995 -1.106 1.00 0.00 N ATOM 38 CA SER A 187 -27.045 -6.186 -1.941 1.00 0.00 C ATOM 39 C SER A 187 -25.648 -6.794 -1.850 1.00 0.00 C ATOM 40 O SER A 187 -25.065 -7.191 -2.859 1.00 0.00 O ATOM 41 CB SER A 187 -27.370 -5.844 -3.396 1.00 0.00 C ATOM 42 OG SER A 187 -26.261 -5.241 -4.039 1.00 0.00 O ATOM 0 H SER A 187 -28.003 -4.941 -0.552 1.00 0.00 H new ATOM 0 HA SER A 187 -27.766 -6.918 -1.577 1.00 0.00 H new ATOM 0 HB2 SER A 187 -27.656 -6.750 -3.931 1.00 0.00 H new ATOM 0 HB3 SER A 187 -28.226 -5.170 -3.432 1.00 0.00 H new ATOM 0 HG SER A 187 -25.712 -4.774 -3.375 1.00 0.00 H new ATOM 48 N SER A 188 -25.118 -6.862 -0.633 1.00 0.00 N ATOM 49 CA SER A 188 -23.789 -7.418 -0.409 1.00 0.00 C ATOM 50 C SER A 188 -23.875 -8.762 0.307 1.00 0.00 C ATOM 51 O SER A 188 -24.500 -8.877 1.361 1.00 0.00 O ATOM 52 CB SER A 188 -22.938 -6.445 0.410 1.00 0.00 C ATOM 53 OG SER A 188 -23.566 -6.127 1.639 1.00 0.00 O ATOM 0 H SER A 188 -25.588 -6.539 0.213 1.00 0.00 H new ATOM 0 HA SER A 188 -23.319 -7.573 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 188 -21.960 -6.885 0.602 1.00 0.00 H new ATOM 0 HB3 SER A 188 -22.770 -5.533 -0.163 1.00 0.00 H new ATOM 0 HG SER A 188 -24.088 -6.897 1.949 1.00 0.00 H new ATOM 59 N GLY A 189 -23.243 -9.777 -0.274 1.00 0.00 N ATOM 60 CA GLY A 189 -23.260 -11.100 0.321 1.00 0.00 C ATOM 61 C GLY A 189 -21.957 -11.441 1.017 1.00 0.00 C ATOM 62 O GLY A 189 -21.950 -11.827 2.186 1.00 0.00 O ATOM 0 H GLY A 189 -22.719 -9.706 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -24.078 -11.162 1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -23.459 -11.841 -0.454 1.00 0.00 H new ATOM 66 N LYS A 190 -20.850 -11.298 0.297 1.00 0.00 N ATOM 67 CA LYS A 190 -19.533 -11.593 0.850 1.00 0.00 C ATOM 68 C LYS A 190 -19.300 -10.817 2.142 1.00 0.00 C ATOM 69 O LYS A 190 -19.505 -9.604 2.195 1.00 0.00 O ATOM 70 CB LYS A 190 -18.442 -11.252 -0.167 1.00 0.00 C ATOM 71 CG LYS A 190 -18.494 -12.103 -1.424 1.00 0.00 C ATOM 72 CD LYS A 190 -17.880 -11.381 -2.612 1.00 0.00 C ATOM 73 CE LYS A 190 -18.365 -11.964 -3.930 1.00 0.00 C ATOM 74 NZ LYS A 190 -19.740 -11.501 -4.268 1.00 0.00 N ATOM 0 H LYS A 190 -20.838 -10.979 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 190 -19.491 -12.659 1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 190 -18.532 -10.202 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 190 -17.467 -11.374 0.304 1.00 0.00 H new ATOM 0 HG2 LYS A 190 -17.964 -13.040 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 190 -19.529 -12.359 -1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 190 -18.134 -10.322 -2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 190 -16.794 -11.451 -2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 190 -17.679 -11.679 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 190 -18.352 -13.052 -3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 -20.002 -11.851 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 -20.412 -11.867 -3.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 -19.767 -10.461 -4.265 1.00 0.00 H new ATOM 88 N ARG A 191 -18.868 -11.524 3.182 1.00 0.00 N ATOM 89 CA ARG A 191 -18.607 -10.900 4.474 1.00 0.00 C ATOM 90 C ARG A 191 -17.289 -10.132 4.450 1.00 0.00 C ATOM 91 O ARG A 191 -16.501 -10.257 3.511 1.00 0.00 O ATOM 92 CB ARG A 191 -18.573 -11.959 5.577 1.00 0.00 C ATOM 93 CG ARG A 191 -19.951 -12.420 6.022 1.00 0.00 C ATOM 94 CD ARG A 191 -19.862 -13.582 6.999 1.00 0.00 C ATOM 95 NE ARG A 191 -21.020 -14.467 6.905 1.00 0.00 N ATOM 96 CZ ARG A 191 -21.376 -15.315 7.863 1.00 0.00 C ATOM 97 NH1 ARG A 191 -20.668 -15.393 8.981 1.00 0.00 N ATOM 98 NH2 ARG A 191 -22.444 -16.087 7.704 1.00 0.00 N ATOM 0 H ARG A 191 -18.692 -12.528 3.155 1.00 0.00 H new ATOM 0 HA ARG A 191 -19.414 -10.196 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -18.007 -12.821 5.224 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -18.038 -11.558 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -20.480 -11.590 6.490 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -20.534 -12.719 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -18.954 -14.152 6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -19.783 -13.196 8.015 1.00 0.00 H new ATOM 0 HE ARG A 191 -21.586 -14.432 6.057 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -19.847 -14.801 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -20.944 -16.045 9.715 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -22.992 -16.029 6.846 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -22.717 -16.738 8.440 1.00 0.00 H new ATOM 112 N THR A 192 -17.054 -9.337 5.489 1.00 0.00 N ATOM 113 CA THR A 192 -15.833 -8.548 5.587 1.00 0.00 C ATOM 114 C THR A 192 -15.123 -8.795 6.913 1.00 0.00 C ATOM 115 O THR A 192 -15.766 -8.979 7.946 1.00 0.00 O ATOM 116 CB THR A 192 -16.125 -7.042 5.447 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.133 -6.649 6.384 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.581 -6.708 4.034 1.00 0.00 C ATOM 0 H THR A 192 -17.694 -9.223 6.275 1.00 0.00 H new ATOM 0 HA THR A 192 -15.187 -8.863 4.768 1.00 0.00 H new ATOM 0 HB THR A 192 -15.205 -6.496 5.654 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.311 -5.690 6.290 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.781 -5.639 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.799 -6.981 3.325 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.490 -7.264 3.804 1.00 0.00 H new ATOM 126 N GLN A 193 -13.794 -8.797 6.876 1.00 0.00 N ATOM 127 CA GLN A 193 -12.998 -9.022 8.077 1.00 0.00 C ATOM 128 C GLN A 193 -12.105 -7.821 8.370 1.00 0.00 C ATOM 129 O GLN A 193 -11.219 -7.471 7.591 1.00 0.00 O ATOM 130 CB GLN A 193 -12.144 -10.282 7.919 1.00 0.00 C ATOM 131 CG GLN A 193 -12.960 -11.558 7.787 1.00 0.00 C ATOM 132 CD GLN A 193 -12.111 -12.808 7.906 1.00 0.00 C ATOM 133 OE1 GLN A 193 -11.109 -12.826 8.621 1.00 0.00 O ATOM 134 NE2 GLN A 193 -12.510 -13.863 7.205 1.00 0.00 N ATOM 0 H GLN A 193 -13.247 -8.646 6.029 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.681 -9.157 8.916 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.510 -10.173 7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.481 -10.372 8.780 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.732 -11.573 8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -13.471 -11.560 6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -13.347 -13.803 6.625 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -11.979 -14.733 7.246 1.00 0.00 H new ATOM 143 N PRO A 194 -12.342 -7.175 9.521 1.00 0.00 N ATOM 144 CA PRO A 194 -11.569 -6.003 9.944 1.00 0.00 C ATOM 145 C PRO A 194 -10.137 -6.361 10.326 1.00 0.00 C ATOM 146 O PRO A 194 -9.871 -6.787 11.450 1.00 0.00 O ATOM 147 CB PRO A 194 -12.337 -5.494 11.167 1.00 0.00 C ATOM 148 CG PRO A 194 -13.044 -6.694 11.696 1.00 0.00 C ATOM 149 CD PRO A 194 -13.382 -7.538 10.499 1.00 0.00 C ATOM 0 HA PRO A 194 -11.475 -5.267 9.146 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.662 -5.072 11.911 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.041 -4.708 10.894 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.412 -7.243 12.394 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.945 -6.408 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.356 -8.601 10.737 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.381 -7.320 10.123 1.00 0.00 H new ATOM 157 N CYS A 195 -9.216 -6.183 9.384 1.00 0.00 N ATOM 158 CA CYS A 195 -7.810 -6.487 9.622 1.00 0.00 C ATOM 159 C CYS A 195 -7.316 -5.812 10.898 1.00 0.00 C ATOM 160 O CYS A 195 -7.594 -4.637 11.141 1.00 0.00 O ATOM 161 CB CYS A 195 -6.962 -6.035 8.431 1.00 0.00 C ATOM 162 SG CYS A 195 -5.236 -6.615 8.486 1.00 0.00 S ATOM 0 H CYS A 195 -9.419 -5.830 8.449 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.711 -7.566 9.742 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.425 -6.393 7.512 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.967 -4.946 8.387 1.00 0.00 H new ATOM 167 N THR A 196 -6.580 -6.563 11.711 1.00 0.00 N ATOM 168 CA THR A 196 -6.048 -6.040 12.963 1.00 0.00 C ATOM 169 C THR A 196 -4.742 -5.287 12.732 1.00 0.00 C ATOM 170 O THR A 196 -4.245 -4.599 13.624 1.00 0.00 O ATOM 171 CB THR A 196 -5.804 -7.166 13.985 1.00 0.00 C ATOM 172 OG1 THR A 196 -7.050 -7.764 14.360 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.100 -6.631 15.222 1.00 0.00 C ATOM 0 H THR A 196 -6.339 -7.536 11.524 1.00 0.00 H new ATOM 0 HA THR A 196 -6.795 -5.354 13.362 1.00 0.00 H new ATOM 0 HB THR A 196 -5.166 -7.917 13.520 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.887 -8.480 15.009 1.00 0.00 H new ATOM 0 HG21 THR A 196 -4.939 -7.445 15.929 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.139 -6.202 14.937 1.00 0.00 H new ATOM 0 HG23 THR A 196 -5.717 -5.862 15.688 1.00 0.00 H new ATOM 181 N TYR A 197 -4.190 -5.423 11.531 1.00 0.00 N ATOM 182 CA TYR A 197 -2.941 -4.757 11.185 1.00 0.00 C ATOM 183 C TYR A 197 -3.200 -3.341 10.680 1.00 0.00 C ATOM 184 O TYR A 197 -2.873 -2.360 11.349 1.00 0.00 O ATOM 185 CB TYR A 197 -2.188 -5.560 10.122 1.00 0.00 C ATOM 186 CG TYR A 197 -1.391 -6.714 10.686 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.027 -7.827 11.221 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.002 -6.690 10.686 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.302 -8.884 11.739 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.731 -7.742 11.200 1.00 0.00 C ATOM 191 CZ TYR A 197 0.076 -8.837 11.726 1.00 0.00 C ATOM 192 OH TYR A 197 0.802 -9.886 12.240 1.00 0.00 O ATOM 0 H TYR A 197 -4.588 -5.988 10.781 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.330 -4.696 12.086 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.903 -5.945 9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.514 -4.893 9.584 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.106 -7.867 11.232 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.514 -5.834 10.277 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -1.812 -9.742 12.152 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.810 -7.708 11.190 1.00 0.00 H new ATOM 0 HH TYR A 197 1.759 -9.695 12.153 1.00 0.00 H new ATOM 202 N CYS A 198 -3.790 -3.242 9.493 1.00 0.00 N ATOM 203 CA CYS A 198 -4.094 -1.947 8.896 1.00 0.00 C ATOM 204 C CYS A 198 -5.357 -1.348 9.510 1.00 0.00 C ATOM 205 O CYS A 198 -5.774 -0.247 9.149 1.00 0.00 O ATOM 206 CB CYS A 198 -4.268 -2.089 7.382 1.00 0.00 C ATOM 207 SG CYS A 198 -5.586 -3.245 6.890 1.00 0.00 S ATOM 0 H CYS A 198 -4.067 -4.043 8.926 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.259 -1.276 9.098 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.483 -1.108 6.958 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.326 -2.424 6.949 1.00 0.00 H new ATOM 212 N THR A 199 -5.961 -2.081 10.440 1.00 0.00 N ATOM 213 CA THR A 199 -7.175 -1.624 11.103 1.00 0.00 C ATOM 214 C THR A 199 -8.196 -1.114 10.092 1.00 0.00 C ATOM 215 O THR A 199 -8.837 -0.085 10.306 1.00 0.00 O ATOM 216 CB THR A 199 -6.874 -0.507 12.120 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.324 0.632 11.447 1.00 0.00 O ATOM 218 CG2 THR A 199 -5.901 -0.991 13.184 1.00 0.00 C ATOM 0 H THR A 199 -5.629 -2.994 10.751 1.00 0.00 H new ATOM 0 HA THR A 199 -7.589 -2.483 11.631 1.00 0.00 H new ATOM 0 HB THR A 199 -7.809 -0.227 12.606 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.429 0.522 10.479 1.00 0.00 H new ATOM 0 HG21 THR A 199 -5.704 -0.185 13.891 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.334 -1.840 13.714 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.967 -1.296 12.712 1.00 0.00 H new ATOM 226 N LYS A 200 -8.343 -1.841 8.990 1.00 0.00 N ATOM 227 CA LYS A 200 -9.288 -1.464 7.945 1.00 0.00 C ATOM 228 C LYS A 200 -10.247 -2.610 7.639 1.00 0.00 C ATOM 229 O LYS A 200 -9.961 -3.767 7.943 1.00 0.00 O ATOM 230 CB LYS A 200 -8.538 -1.058 6.674 1.00 0.00 C ATOM 231 CG LYS A 200 -7.836 0.284 6.783 1.00 0.00 C ATOM 232 CD LYS A 200 -7.681 0.945 5.424 1.00 0.00 C ATOM 233 CE LYS A 200 -6.808 2.188 5.505 1.00 0.00 C ATOM 234 NZ LYS A 200 -5.378 1.847 5.740 1.00 0.00 N ATOM 0 H LYS A 200 -7.820 -2.695 8.797 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.869 -0.614 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.801 -1.825 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.242 -1.024 5.842 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.403 0.939 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.854 0.146 7.236 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -7.243 0.236 4.721 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -8.663 1.214 5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -6.898 2.756 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -7.165 2.831 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -4.790 2.691 5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.257 1.512 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.086 1.099 5.079 1.00 0.00 H new ATOM 248 N GLU A 201 -11.384 -2.279 7.035 1.00 0.00 N ATOM 249 CA GLU A 201 -12.383 -3.282 6.687 1.00 0.00 C ATOM 250 C GLU A 201 -12.143 -3.825 5.282 1.00 0.00 C ATOM 251 O GLU A 201 -11.992 -3.063 4.327 1.00 0.00 O ATOM 252 CB GLU A 201 -13.790 -2.687 6.783 1.00 0.00 C ATOM 253 CG GLU A 201 -14.120 -2.120 8.153 1.00 0.00 C ATOM 254 CD GLU A 201 -15.590 -1.785 8.308 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.396 -2.720 8.496 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.935 -0.586 8.241 1.00 0.00 O ATOM 0 H GLU A 201 -11.636 -1.325 6.777 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.295 -4.106 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.893 -1.898 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.519 -3.458 6.533 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.833 -2.841 8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.527 -1.221 8.322 1.00 0.00 H new ATOM 263 N PHE A 202 -12.110 -5.149 5.164 1.00 0.00 N ATOM 264 CA PHE A 202 -11.887 -5.796 3.876 1.00 0.00 C ATOM 265 C PHE A 202 -12.802 -7.005 3.709 1.00 0.00 C ATOM 266 O PHE A 202 -13.480 -7.419 4.649 1.00 0.00 O ATOM 267 CB PHE A 202 -10.424 -6.227 3.744 1.00 0.00 C ATOM 268 CG PHE A 202 -9.505 -5.113 3.333 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.368 -4.767 1.998 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.779 -4.410 4.281 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.522 -3.743 1.617 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.932 -3.384 3.906 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.804 -3.050 2.572 1.00 0.00 C ATOM 0 H PHE A 202 -12.235 -5.794 5.944 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.119 -5.076 3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.086 -6.633 4.697 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.356 -7.032 3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -9.929 -5.304 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.876 -4.667 5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.422 -3.485 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.371 -2.844 4.655 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.144 -2.248 2.276 1.00 0.00 H new ATOM 283 N VAL A 203 -12.817 -7.566 2.504 1.00 0.00 N ATOM 284 CA VAL A 203 -13.649 -8.728 2.212 1.00 0.00 C ATOM 285 C VAL A 203 -13.043 -9.998 2.798 1.00 0.00 C ATOM 286 O VAL A 203 -11.847 -10.055 3.082 1.00 0.00 O ATOM 287 CB VAL A 203 -13.838 -8.915 0.695 1.00 0.00 C ATOM 288 CG1 VAL A 203 -15.077 -9.751 0.411 1.00 0.00 C ATOM 289 CG2 VAL A 203 -13.924 -7.566 -0.002 1.00 0.00 C ATOM 0 H VAL A 203 -12.263 -7.235 1.714 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.620 -8.546 2.672 1.00 0.00 H new ATOM 0 HB VAL A 203 -12.972 -9.446 0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -15.195 -9.873 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -14.970 -10.730 0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -15.955 -9.250 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.057 -7.718 -1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -14.771 -7.006 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -13.005 -7.007 0.173 1.00 0.00 H new ATOM 299 N PHE A 204 -13.878 -11.016 2.978 1.00 0.00 N ATOM 300 CA PHE A 204 -13.426 -12.287 3.531 1.00 0.00 C ATOM 301 C PHE A 204 -12.681 -13.105 2.479 1.00 0.00 C ATOM 302 O PHE A 204 -11.780 -13.879 2.802 1.00 0.00 O ATOM 303 CB PHE A 204 -14.615 -13.087 4.067 1.00 0.00 C ATOM 304 CG PHE A 204 -15.203 -14.033 3.060 1.00 0.00 C ATOM 305 CD1 PHE A 204 -16.135 -13.591 2.135 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.825 -15.366 3.039 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.678 -14.459 1.207 1.00 0.00 C ATOM 308 CE2 PHE A 204 -15.365 -16.239 2.113 1.00 0.00 C ATOM 309 CZ PHE A 204 -16.293 -15.785 1.197 1.00 0.00 C ATOM 0 H PHE A 204 -14.871 -10.985 2.749 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.741 -12.073 4.352 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -14.297 -13.653 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -15.389 -12.395 4.398 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.441 -12.555 2.139 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -14.100 -15.727 3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.402 -14.101 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -15.061 -17.275 2.106 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.717 -16.466 0.474 1.00 0.00 H new ATOM 319 N ASP A 205 -13.066 -12.927 1.220 1.00 0.00 N ATOM 320 CA ASP A 205 -12.436 -13.647 0.120 1.00 0.00 C ATOM 321 C ASP A 205 -11.048 -13.085 -0.173 1.00 0.00 C ATOM 322 O ASP A 205 -10.214 -13.751 -0.788 1.00 0.00 O ATOM 323 CB ASP A 205 -13.307 -13.567 -1.135 1.00 0.00 C ATOM 324 CG ASP A 205 -13.068 -14.728 -2.080 1.00 0.00 C ATOM 325 OD1 ASP A 205 -11.979 -14.785 -2.687 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.972 -15.581 -2.213 1.00 0.00 O ATOM 0 H ASP A 205 -13.811 -12.291 0.936 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.331 -14.691 0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.357 -13.549 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.104 -12.631 -1.655 1.00 0.00 H new ATOM 331 N THR A 206 -10.806 -11.856 0.271 1.00 0.00 N ATOM 332 CA THR A 206 -9.521 -11.204 0.055 1.00 0.00 C ATOM 333 C THR A 206 -8.693 -11.184 1.335 1.00 0.00 C ATOM 334 O THR A 206 -7.517 -11.551 1.329 1.00 0.00 O ATOM 335 CB THR A 206 -9.702 -9.759 -0.448 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.228 -8.937 0.600 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.634 -9.717 -1.650 1.00 0.00 C ATOM 0 H THR A 206 -11.484 -11.292 0.783 1.00 0.00 H new ATOM 0 HA THR A 206 -8.996 -11.783 -0.705 1.00 0.00 H new ATOM 0 HB THR A 206 -8.727 -9.379 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.338 -8.020 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.746 -8.687 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.215 -10.319 -2.456 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.609 -10.115 -1.369 1.00 0.00 H new ATOM 345 N ILE A 207 -9.313 -10.755 2.429 1.00 0.00 N ATOM 346 CA ILE A 207 -8.632 -10.690 3.716 1.00 0.00 C ATOM 347 C ILE A 207 -7.611 -11.815 3.855 1.00 0.00 C ATOM 348 O ILE A 207 -6.554 -11.634 4.459 1.00 0.00 O ATOM 349 CB ILE A 207 -9.631 -10.771 4.886 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.919 -10.495 6.212 1.00 0.00 C ATOM 351 CG2 ILE A 207 -10.305 -12.134 4.913 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.941 -9.038 6.618 1.00 0.00 C ATOM 0 H ILE A 207 -10.285 -10.447 2.450 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.118 -9.729 3.753 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.399 -10.011 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.387 -11.090 6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.884 -10.827 6.135 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -11.008 -12.176 5.745 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.841 -12.294 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -9.550 -12.911 5.036 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.418 -8.917 7.567 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.447 -8.439 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.974 -8.706 6.728 1.00 0.00 H new ATOM 364 N GLN A 208 -7.935 -12.974 3.292 1.00 0.00 N ATOM 365 CA GLN A 208 -7.045 -14.127 3.352 1.00 0.00 C ATOM 366 C GLN A 208 -5.681 -13.794 2.759 1.00 0.00 C ATOM 367 O GLN A 208 -4.653 -13.938 3.421 1.00 0.00 O ATOM 368 CB GLN A 208 -7.662 -15.314 2.609 1.00 0.00 C ATOM 369 CG GLN A 208 -8.652 -16.108 3.446 1.00 0.00 C ATOM 370 CD GLN A 208 -7.987 -16.853 4.586 1.00 0.00 C ATOM 371 OE1 GLN A 208 -6.841 -16.575 4.940 1.00 0.00 O ATOM 372 NE2 GLN A 208 -8.704 -17.808 5.168 1.00 0.00 N ATOM 0 H GLN A 208 -8.807 -13.140 2.789 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.909 -14.394 4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -8.166 -14.949 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.864 -15.979 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -9.405 -15.431 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -9.173 -16.820 2.807 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.650 -18.005 4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -8.308 -18.344 5.940 1.00 0.00 H new ATOM 381 N SER A 209 -5.678 -13.348 1.507 1.00 0.00 N ATOM 382 CA SER A 209 -4.439 -12.998 0.822 1.00 0.00 C ATOM 383 C SER A 209 -3.933 -11.634 1.279 1.00 0.00 C ATOM 384 O SER A 209 -2.737 -11.447 1.509 1.00 0.00 O ATOM 385 CB SER A 209 -4.653 -12.994 -0.693 1.00 0.00 C ATOM 386 OG SER A 209 -3.460 -13.340 -1.377 1.00 0.00 O ATOM 0 H SER A 209 -6.520 -13.220 0.946 1.00 0.00 H new ATOM 0 HA SER A 209 -3.689 -13.748 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.443 -13.698 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 209 -4.987 -12.007 -1.014 1.00 0.00 H new ATOM 0 HG SER A 209 -3.623 -13.332 -2.343 1.00 0.00 H new ATOM 392 N HIS A 210 -4.851 -10.682 1.410 1.00 0.00 N ATOM 393 CA HIS A 210 -4.499 -9.333 1.840 1.00 0.00 C ATOM 394 C HIS A 210 -3.517 -9.375 3.007 1.00 0.00 C ATOM 395 O HIS A 210 -2.514 -8.662 3.011 1.00 0.00 O ATOM 396 CB HIS A 210 -5.755 -8.559 2.242 1.00 0.00 C ATOM 397 CG HIS A 210 -5.492 -7.460 3.225 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.148 -6.179 2.848 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.526 -7.456 4.578 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.980 -5.435 3.926 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.204 -6.186 4.990 1.00 0.00 N ATOM 0 H HIS A 210 -5.845 -10.819 1.225 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.021 -8.824 1.003 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.212 -8.134 1.348 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.478 -9.253 2.670 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -5.040 -5.856 1.886 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.762 -8.295 5.215 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.706 -4.390 3.936 1.00 0.00 H new ATOM 409 N GLN A 211 -3.814 -10.213 3.995 1.00 0.00 N ATOM 410 CA GLN A 211 -2.958 -10.345 5.167 1.00 0.00 C ATOM 411 C GLN A 211 -1.488 -10.198 4.788 1.00 0.00 C ATOM 412 O GLN A 211 -0.691 -9.654 5.551 1.00 0.00 O ATOM 413 CB GLN A 211 -3.189 -11.698 5.844 1.00 0.00 C ATOM 414 CG GLN A 211 -4.368 -11.704 6.804 1.00 0.00 C ATOM 415 CD GLN A 211 -4.920 -13.095 7.041 1.00 0.00 C ATOM 416 OE1 GLN A 211 -4.608 -14.033 6.307 1.00 0.00 O ATOM 417 NE2 GLN A 211 -5.746 -13.237 8.071 1.00 0.00 N ATOM 0 H GLN A 211 -4.641 -10.810 4.007 1.00 0.00 H new ATOM 0 HA GLN A 211 -3.216 -9.548 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -3.351 -12.456 5.077 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -2.287 -11.982 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -4.059 -11.273 7.756 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -5.158 -11.066 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -5.978 -12.432 8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -6.149 -14.151 8.280 1.00 0.00 H new ATOM 426 N TYR A 212 -1.137 -10.688 3.604 1.00 0.00 N ATOM 427 CA TYR A 212 0.238 -10.613 3.124 1.00 0.00 C ATOM 428 C TYR A 212 0.541 -9.233 2.549 1.00 0.00 C ATOM 429 O TYR A 212 1.602 -8.663 2.802 1.00 0.00 O ATOM 430 CB TYR A 212 0.489 -11.686 2.063 1.00 0.00 C ATOM 431 CG TYR A 212 0.977 -12.999 2.632 1.00 0.00 C ATOM 432 CD1 TYR A 212 2.323 -13.199 2.914 1.00 0.00 C ATOM 433 CD2 TYR A 212 0.092 -14.040 2.887 1.00 0.00 C ATOM 434 CE1 TYR A 212 2.773 -14.397 3.434 1.00 0.00 C ATOM 435 CE2 TYR A 212 0.534 -15.241 3.408 1.00 0.00 C ATOM 436 CZ TYR A 212 1.875 -15.414 3.679 1.00 0.00 C ATOM 437 OH TYR A 212 2.319 -16.610 4.197 1.00 0.00 O ATOM 0 H TYR A 212 -1.785 -11.141 2.960 1.00 0.00 H new ATOM 0 HA TYR A 212 0.901 -10.787 3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.434 -11.860 1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.224 -11.314 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 212 3.029 -12.404 2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.959 -13.908 2.674 1.00 0.00 H new ATOM 0 HE1 TYR A 212 3.823 -14.536 3.647 1.00 0.00 H new ATOM 0 HE2 TYR A 212 -0.167 -16.040 3.602 1.00 0.00 H new ATOM 0 HH TYR A 212 1.560 -17.219 4.311 1.00 0.00 H new ATOM 447 N GLN A 213 -0.401 -8.702 1.776 1.00 0.00 N ATOM 448 CA GLN A 213 -0.236 -7.388 1.165 1.00 0.00 C ATOM 449 C GLN A 213 -0.120 -6.303 2.230 1.00 0.00 C ATOM 450 O GLN A 213 0.717 -5.406 2.128 1.00 0.00 O ATOM 451 CB GLN A 213 -1.412 -7.084 0.235 1.00 0.00 C ATOM 452 CG GLN A 213 -1.310 -7.767 -1.119 1.00 0.00 C ATOM 453 CD GLN A 213 -2.125 -7.067 -2.189 1.00 0.00 C ATOM 454 OE1 GLN A 213 -3.273 -6.686 -1.961 1.00 0.00 O ATOM 455 NE2 GLN A 213 -1.533 -6.893 -3.365 1.00 0.00 N ATOM 0 H GLN A 213 -1.286 -9.161 1.558 1.00 0.00 H new ATOM 0 HA GLN A 213 0.685 -7.399 0.583 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.337 -7.394 0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.476 -6.006 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -0.265 -7.800 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -1.648 -8.799 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -0.579 -7.225 -3.510 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -2.032 -6.427 -4.123 1.00 0.00 H new ATOM 464 N CYS A 214 -0.965 -6.391 3.251 1.00 0.00 N ATOM 465 CA CYS A 214 -0.959 -5.417 4.336 1.00 0.00 C ATOM 466 C CYS A 214 0.455 -4.908 4.602 1.00 0.00 C ATOM 467 O CYS A 214 1.378 -5.678 4.871 1.00 0.00 O ATOM 468 CB CYS A 214 -1.538 -6.036 5.609 1.00 0.00 C ATOM 469 SG CYS A 214 -2.299 -4.829 6.743 1.00 0.00 S ATOM 0 H CYS A 214 -1.664 -7.128 3.350 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.580 -4.573 4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.286 -6.779 5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.744 -6.564 6.137 1.00 0.00 H new ATOM 474 N PRO A 215 0.631 -3.581 4.527 1.00 0.00 N ATOM 475 CA PRO A 215 1.929 -2.940 4.757 1.00 0.00 C ATOM 476 C PRO A 215 2.360 -3.012 6.218 1.00 0.00 C ATOM 477 O PRO A 215 3.516 -3.311 6.519 1.00 0.00 O ATOM 478 CB PRO A 215 1.685 -1.486 4.343 1.00 0.00 C ATOM 479 CG PRO A 215 0.221 -1.282 4.524 1.00 0.00 C ATOM 480 CD PRO A 215 -0.424 -2.603 4.211 1.00 0.00 C ATOM 0 HA PRO A 215 2.729 -3.428 4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.260 -0.796 4.961 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.984 -1.313 3.309 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.006 -0.969 5.543 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.149 -0.500 3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.317 -2.767 4.814 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.729 -2.664 3.166 1.00 0.00 H new ATOM 488 N ARG A 216 1.424 -2.738 7.121 1.00 0.00 N ATOM 489 CA ARG A 216 1.709 -2.771 8.550 1.00 0.00 C ATOM 490 C ARG A 216 2.507 -4.019 8.917 1.00 0.00 C ATOM 491 O ARG A 216 3.429 -3.962 9.732 1.00 0.00 O ATOM 492 CB ARG A 216 0.406 -2.733 9.352 1.00 0.00 C ATOM 493 CG ARG A 216 -0.207 -1.346 9.450 1.00 0.00 C ATOM 494 CD ARG A 216 0.595 -0.446 10.378 1.00 0.00 C ATOM 495 NE ARG A 216 0.167 0.947 10.294 1.00 0.00 N ATOM 496 CZ ARG A 216 -0.868 1.440 10.966 1.00 0.00 C ATOM 497 NH1 ARG A 216 -1.576 0.657 11.768 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.195 2.720 10.838 1.00 0.00 N ATOM 0 H ARG A 216 0.462 -2.491 6.888 1.00 0.00 H new ATOM 0 HA ARG A 216 2.306 -1.893 8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.315 -3.408 8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.597 -3.109 10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.255 -0.897 8.458 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.232 -1.425 9.814 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.488 -0.797 11.405 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.653 -0.516 10.126 1.00 0.00 H new ATOM 0 HE ARG A 216 0.691 1.576 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 216 -1.327 -0.327 11.871 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -2.370 1.038 12.283 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -0.652 3.326 10.223 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -1.990 3.097 11.354 1.00 0.00 H new ATOM 512 N LEU A 217 2.147 -5.145 8.309 1.00 0.00 N ATOM 513 CA LEU A 217 2.829 -6.407 8.572 1.00 0.00 C ATOM 514 C LEU A 217 4.333 -6.194 8.719 1.00 0.00 C ATOM 515 O LEU A 217 4.982 -5.577 7.874 1.00 0.00 O ATOM 516 CB LEU A 217 2.552 -7.403 7.444 1.00 0.00 C ATOM 517 CG LEU A 217 3.111 -8.813 7.641 1.00 0.00 C ATOM 518 CD1 LEU A 217 2.123 -9.676 8.412 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.443 -9.447 6.299 1.00 0.00 C ATOM 0 H LEU A 217 1.387 -5.209 7.631 1.00 0.00 H new ATOM 0 HA LEU A 217 2.445 -6.811 9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.473 -7.477 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.962 -6.997 6.519 1.00 0.00 H new ATOM 0 HG LEU A 217 4.030 -8.741 8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.538 -10.676 8.543 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.936 -9.230 9.389 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.187 -9.741 7.857 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.839 -10.450 6.458 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.540 -9.506 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.188 -8.840 5.784 1.00 0.00 H new ATOM 531 N PRO A 218 4.901 -6.717 9.815 1.00 0.00 N ATOM 532 CA PRO A 218 6.334 -6.599 10.097 1.00 0.00 C ATOM 533 C PRO A 218 7.183 -7.430 9.142 1.00 0.00 C ATOM 534 O PRO A 218 7.001 -8.642 9.028 1.00 0.00 O ATOM 535 CB PRO A 218 6.460 -7.132 11.527 1.00 0.00 C ATOM 536 CG PRO A 218 5.297 -8.050 11.692 1.00 0.00 C ATOM 537 CD PRO A 218 4.187 -7.464 10.864 1.00 0.00 C ATOM 0 HA PRO A 218 6.690 -5.576 9.976 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.404 -7.658 11.672 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.432 -6.322 12.256 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.544 -9.057 11.357 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.005 -8.125 12.739 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.549 -8.240 10.441 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.546 -6.811 11.456 1.00 0.00 H new ATOM 545 N VAL A 219 8.113 -6.771 8.457 1.00 0.00 N ATOM 546 CA VAL A 219 8.992 -7.450 7.512 1.00 0.00 C ATOM 547 C VAL A 219 10.449 -7.349 7.948 1.00 0.00 C ATOM 548 O VAL A 219 10.892 -6.308 8.432 1.00 0.00 O ATOM 549 CB VAL A 219 8.849 -6.865 6.094 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.485 -7.203 5.512 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.073 -5.361 6.114 1.00 0.00 C ATOM 0 H VAL A 219 8.277 -5.768 8.539 1.00 0.00 H new ATOM 0 HA VAL A 219 8.693 -8.498 7.496 1.00 0.00 H new ATOM 0 HB VAL A 219 9.610 -7.314 5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.402 -6.782 4.510 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.369 -8.286 5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.704 -6.784 6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 219 8.968 -4.964 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.336 -4.892 6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.075 -5.147 6.486 1.00 0.00 H new ATOM 561 N ALA A 220 11.190 -8.438 7.771 1.00 0.00 N ATOM 562 CA ALA A 220 12.599 -8.472 8.144 1.00 0.00 C ATOM 563 C ALA A 220 13.430 -7.579 7.229 1.00 0.00 C ATOM 564 O ALA A 220 13.263 -7.595 6.009 1.00 0.00 O ATOM 565 CB ALA A 220 13.121 -9.901 8.106 1.00 0.00 C ATOM 0 H ALA A 220 10.838 -9.308 7.372 1.00 0.00 H new ATOM 0 HA ALA A 220 12.690 -8.091 9.161 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.174 -9.911 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.553 -10.515 8.805 1.00 0.00 H new ATOM 0 HB3 ALA A 220 13.010 -10.302 7.099 1.00 0.00 H new ATOM 571 N CYS A 221 14.326 -6.800 7.825 1.00 0.00 N ATOM 572 CA CYS A 221 15.184 -5.899 7.065 1.00 0.00 C ATOM 573 C CYS A 221 16.079 -6.679 6.107 1.00 0.00 C ATOM 574 O CYS A 221 16.682 -7.691 6.466 1.00 0.00 O ATOM 575 CB CYS A 221 16.042 -5.057 8.011 1.00 0.00 C ATOM 576 SG CYS A 221 17.301 -4.044 7.171 1.00 0.00 S ATOM 0 H CYS A 221 14.477 -6.775 8.833 1.00 0.00 H new ATOM 0 HA CYS A 221 14.545 -5.237 6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.390 -4.402 8.589 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.538 -5.719 8.720 1.00 0.00 H new ATOM 581 N PRO A 222 16.170 -6.199 4.858 1.00 0.00 N ATOM 582 CA PRO A 222 16.990 -6.835 3.823 1.00 0.00 C ATOM 583 C PRO A 222 18.484 -6.686 4.093 1.00 0.00 C ATOM 584 O PRO A 222 19.280 -7.548 3.725 1.00 0.00 O ATOM 585 CB PRO A 222 16.600 -6.082 2.549 1.00 0.00 C ATOM 586 CG PRO A 222 16.125 -4.752 3.024 1.00 0.00 C ATOM 587 CD PRO A 222 15.480 -4.997 4.360 1.00 0.00 C ATOM 0 HA PRO A 222 16.817 -7.910 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.449 -5.981 1.874 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.818 -6.609 2.001 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.954 -4.050 3.114 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.414 -4.317 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.614 -4.149 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.407 -5.161 4.264 1.00 0.00 H new ATOM 595 N ASN A 223 18.856 -5.586 4.740 1.00 0.00 N ATOM 596 CA ASN A 223 20.255 -5.324 5.060 1.00 0.00 C ATOM 597 C ASN A 223 20.678 -6.085 6.313 1.00 0.00 C ATOM 598 O ASN A 223 21.861 -6.139 6.648 1.00 0.00 O ATOM 599 CB ASN A 223 20.482 -3.825 5.259 1.00 0.00 C ATOM 600 CG ASN A 223 20.647 -3.085 3.945 1.00 0.00 C ATOM 601 OD1 ASN A 223 20.424 -3.647 2.872 1.00 0.00 O ATOM 602 ND2 ASN A 223 21.039 -1.819 4.023 1.00 0.00 N ATOM 0 H ASN A 223 18.209 -4.862 5.053 1.00 0.00 H new ATOM 0 HA ASN A 223 20.864 -5.669 4.224 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.640 -3.403 5.807 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.370 -3.673 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 223 21.167 -1.271 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 223 21.212 -1.394 4.934 1.00 0.00 H new ATOM 609 N GLN A 224 19.703 -6.671 7.000 1.00 0.00 N ATOM 610 CA GLN A 224 19.974 -7.428 8.216 1.00 0.00 C ATOM 611 C GLN A 224 20.861 -6.631 9.167 1.00 0.00 C ATOM 612 O GLN A 224 21.901 -7.116 9.616 1.00 0.00 O ATOM 613 CB GLN A 224 20.641 -8.761 7.874 1.00 0.00 C ATOM 614 CG GLN A 224 19.674 -9.806 7.340 1.00 0.00 C ATOM 615 CD GLN A 224 20.379 -11.052 6.840 1.00 0.00 C ATOM 616 OE1 GLN A 224 20.262 -12.125 7.433 1.00 0.00 O ATOM 617 NE2 GLN A 224 21.115 -10.916 5.744 1.00 0.00 N ATOM 0 H GLN A 224 18.719 -6.636 6.735 1.00 0.00 H new ATOM 0 HA GLN A 224 19.023 -7.623 8.712 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.421 -8.588 7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.130 -9.153 8.766 1.00 0.00 H new ATOM 0 HG2 GLN A 224 18.972 -10.081 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 224 19.089 -9.373 6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 224 21.184 -10.008 5.285 1.00 0.00 H new ATOM 0 HE22 GLN A 224 21.612 -11.720 5.360 1.00 0.00 H new ATOM 626 N CYS A 225 20.446 -5.406 9.469 1.00 0.00 N ATOM 627 CA CYS A 225 21.203 -4.541 10.366 1.00 0.00 C ATOM 628 C CYS A 225 21.112 -5.037 11.806 1.00 0.00 C ATOM 629 O CYS A 225 22.124 -5.180 12.490 1.00 0.00 O ATOM 630 CB CYS A 225 20.687 -3.103 10.277 1.00 0.00 C ATOM 631 SG CYS A 225 18.887 -2.943 10.505 1.00 0.00 S ATOM 0 H CYS A 225 19.589 -4.989 9.106 1.00 0.00 H new ATOM 0 HA CYS A 225 22.248 -4.565 10.057 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.193 -2.500 11.031 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.957 -2.691 9.305 1.00 0.00 H new ATOM 636 N GLY A 226 19.890 -5.298 12.261 1.00 0.00 N ATOM 637 CA GLY A 226 19.688 -5.775 13.616 1.00 0.00 C ATOM 638 C GLY A 226 18.270 -5.555 14.104 1.00 0.00 C ATOM 639 O GLY A 226 17.703 -6.406 14.790 1.00 0.00 O ATOM 0 H GLY A 226 19.036 -5.187 11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.924 -6.838 13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.382 -5.265 14.284 1.00 0.00 H new ATOM 643 N VAL A 227 17.695 -4.410 13.750 1.00 0.00 N ATOM 644 CA VAL A 227 16.334 -4.081 14.156 1.00 0.00 C ATOM 645 C VAL A 227 15.463 -5.330 14.226 1.00 0.00 C ATOM 646 O VAL A 227 14.625 -5.467 15.116 1.00 0.00 O ATOM 647 CB VAL A 227 15.688 -3.072 13.188 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.704 -3.611 11.766 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.268 -2.746 13.628 1.00 0.00 C ATOM 0 H VAL A 227 18.151 -3.695 13.183 1.00 0.00 H new ATOM 0 HA VAL A 227 16.400 -3.632 15.147 1.00 0.00 H new ATOM 0 HB VAL A 227 16.271 -2.151 13.208 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.244 -2.885 11.096 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.734 -3.789 11.456 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.146 -4.547 11.725 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.827 -2.032 12.933 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.672 -3.658 13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.287 -2.314 14.629 1.00 0.00 H new ATOM 659 N GLY A 228 15.669 -6.242 13.280 1.00 0.00 N ATOM 660 CA GLY A 228 14.895 -7.470 13.252 1.00 0.00 C ATOM 661 C GLY A 228 13.709 -7.386 12.312 1.00 0.00 C ATOM 662 O GLY A 228 13.808 -7.754 11.141 1.00 0.00 O ATOM 0 H GLY A 228 16.358 -6.152 12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.539 -8.295 12.947 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.542 -7.696 14.258 1.00 0.00 H new ATOM 666 N THR A 229 12.582 -6.903 12.825 1.00 0.00 N ATOM 667 CA THR A 229 11.371 -6.776 12.024 1.00 0.00 C ATOM 668 C THR A 229 10.803 -5.363 12.108 1.00 0.00 C ATOM 669 O THR A 229 10.902 -4.704 13.142 1.00 0.00 O ATOM 670 CB THR A 229 10.292 -7.778 12.475 1.00 0.00 C ATOM 671 OG1 THR A 229 10.197 -7.787 13.903 1.00 0.00 O ATOM 672 CG2 THR A 229 10.611 -9.179 11.974 1.00 0.00 C ATOM 0 H THR A 229 12.483 -6.593 13.792 1.00 0.00 H new ATOM 0 HA THR A 229 11.649 -6.993 10.993 1.00 0.00 H new ATOM 0 HB THR A 229 9.338 -7.466 12.050 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.507 -8.425 14.181 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.835 -9.869 12.305 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.653 -9.175 10.885 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.574 -9.498 12.373 1.00 0.00 H new ATOM 680 N VAL A 230 10.207 -4.904 11.012 1.00 0.00 N ATOM 681 CA VAL A 230 9.622 -3.570 10.961 1.00 0.00 C ATOM 682 C VAL A 230 8.570 -3.473 9.862 1.00 0.00 C ATOM 683 O VAL A 230 8.801 -3.892 8.729 1.00 0.00 O ATOM 684 CB VAL A 230 10.697 -2.494 10.724 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.245 -2.589 9.309 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.131 -1.107 10.994 1.00 0.00 C ATOM 0 H VAL A 230 10.117 -5.437 10.147 1.00 0.00 H new ATOM 0 HA VAL A 230 9.150 -3.394 11.928 1.00 0.00 H new ATOM 0 HB VAL A 230 11.519 -2.667 11.418 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.004 -1.821 9.160 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.690 -3.572 9.156 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.435 -2.442 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 230 10.904 -0.359 10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.290 -0.921 10.326 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.792 -1.047 12.028 1.00 0.00 H new ATOM 696 N ALA A 231 7.413 -2.916 10.206 1.00 0.00 N ATOM 697 CA ALA A 231 6.325 -2.761 9.247 1.00 0.00 C ATOM 698 C ALA A 231 6.859 -2.407 7.864 1.00 0.00 C ATOM 699 O ALA A 231 7.815 -1.642 7.734 1.00 0.00 O ATOM 700 CB ALA A 231 5.348 -1.698 9.726 1.00 0.00 C ATOM 0 H ALA A 231 7.205 -2.565 11.141 1.00 0.00 H new ATOM 0 HA ALA A 231 5.801 -3.714 9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.541 -1.592 9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 231 4.933 -1.993 10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 231 5.869 -0.746 9.831 1.00 0.00 H new ATOM 706 N ARG A 232 6.237 -2.968 6.833 1.00 0.00 N ATOM 707 CA ARG A 232 6.651 -2.713 5.458 1.00 0.00 C ATOM 708 C ARG A 232 6.659 -1.216 5.162 1.00 0.00 C ATOM 709 O ARG A 232 7.538 -0.717 4.461 1.00 0.00 O ATOM 710 CB ARG A 232 5.721 -3.432 4.480 1.00 0.00 C ATOM 711 CG ARG A 232 6.074 -3.200 3.020 1.00 0.00 C ATOM 712 CD ARG A 232 5.361 -1.979 2.462 1.00 0.00 C ATOM 713 NE ARG A 232 5.505 -1.877 1.012 1.00 0.00 N ATOM 714 CZ ARG A 232 4.785 -2.587 0.150 1.00 0.00 C ATOM 715 NH1 ARG A 232 3.875 -3.445 0.590 1.00 0.00 N ATOM 716 NH2 ARG A 232 4.973 -2.438 -1.155 1.00 0.00 N ATOM 0 H ARG A 232 5.444 -3.603 6.923 1.00 0.00 H new ATOM 0 HA ARG A 232 7.664 -3.097 5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.749 -4.502 4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.698 -3.100 4.655 1.00 0.00 H new ATOM 0 HG2 ARG A 232 7.152 -3.070 2.921 1.00 0.00 H new ATOM 0 HG3 ARG A 232 5.804 -4.079 2.435 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.303 -2.028 2.719 1.00 0.00 H new ATOM 0 HD3 ARG A 232 5.761 -1.080 2.930 1.00 0.00 H new ATOM 0 HE ARG A 232 6.196 -1.225 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 232 3.726 -3.561 1.592 1.00 0.00 H new ATOM 0 HH12 ARG A 232 3.324 -3.989 -0.074 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.671 -1.778 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 232 4.420 -2.984 -1.816 1.00 0.00 H new ATOM 730 N GLU A 233 5.672 -0.506 5.701 1.00 0.00 N ATOM 731 CA GLU A 233 5.566 0.933 5.493 1.00 0.00 C ATOM 732 C GLU A 233 6.507 1.689 6.426 1.00 0.00 C ATOM 733 O GLU A 233 6.610 2.915 6.362 1.00 0.00 O ATOM 734 CB GLU A 233 4.125 1.398 5.718 1.00 0.00 C ATOM 735 CG GLU A 233 3.691 1.352 7.173 1.00 0.00 C ATOM 736 CD GLU A 233 4.107 2.588 7.946 1.00 0.00 C ATOM 737 OE1 GLU A 233 4.225 3.664 7.323 1.00 0.00 O ATOM 738 OE2 GLU A 233 4.313 2.481 9.173 1.00 0.00 O ATOM 0 H GLU A 233 4.936 -0.904 6.284 1.00 0.00 H new ATOM 0 HA GLU A 233 5.854 1.147 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.019 2.418 5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.454 0.774 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 233 2.607 1.245 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.120 0.470 7.648 1.00 0.00 H new ATOM 745 N ASP A 234 7.192 0.950 7.292 1.00 0.00 N ATOM 746 CA ASP A 234 8.125 1.550 8.238 1.00 0.00 C ATOM 747 C ASP A 234 9.568 1.306 7.807 1.00 0.00 C ATOM 748 O ASP A 234 10.490 1.973 8.279 1.00 0.00 O ATOM 749 CB ASP A 234 7.897 0.983 9.641 1.00 0.00 C ATOM 750 CG ASP A 234 6.844 1.754 10.412 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.864 3.002 10.360 1.00 0.00 O ATOM 752 OD2 ASP A 234 5.999 1.109 11.067 1.00 0.00 O ATOM 0 H ASP A 234 7.119 -0.065 7.358 1.00 0.00 H new ATOM 0 HA ASP A 234 7.946 2.625 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.594 -0.061 9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.836 1.002 10.195 1.00 0.00 H new ATOM 757 N LEU A 235 9.757 0.347 6.907 1.00 0.00 N ATOM 758 CA LEU A 235 11.088 0.014 6.412 1.00 0.00 C ATOM 759 C LEU A 235 11.724 1.211 5.713 1.00 0.00 C ATOM 760 O LEU A 235 12.905 1.510 5.891 1.00 0.00 O ATOM 761 CB LEU A 235 11.014 -1.172 5.449 1.00 0.00 C ATOM 762 CG LEU A 235 12.303 -1.975 5.272 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.682 -2.671 6.570 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.151 -2.988 4.146 1.00 0.00 C ATOM 0 H LEU A 235 9.005 -0.213 6.505 1.00 0.00 H new ATOM 0 HA LEU A 235 11.709 -0.257 7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.233 -1.848 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.703 -0.802 4.472 1.00 0.00 H new ATOM 0 HG LEU A 235 13.104 -1.285 5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.602 -3.237 6.424 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.834 -1.926 7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.882 -3.349 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 235 13.078 -3.550 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.337 -3.674 4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.929 -2.467 3.215 1.00 0.00 H new ATOM 776 N PRO A 236 10.924 1.916 4.899 1.00 0.00 N ATOM 777 CA PRO A 236 11.386 3.094 4.159 1.00 0.00 C ATOM 778 C PRO A 236 12.153 4.071 5.045 1.00 0.00 C ATOM 779 O PRO A 236 13.350 4.283 4.859 1.00 0.00 O ATOM 780 CB PRO A 236 10.087 3.731 3.660 1.00 0.00 C ATOM 781 CG PRO A 236 9.117 2.603 3.581 1.00 0.00 C ATOM 782 CD PRO A 236 9.505 1.617 4.639 1.00 0.00 C ATOM 0 HA PRO A 236 12.080 2.828 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.738 4.506 4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.226 4.203 2.687 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.099 2.958 3.740 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.143 2.140 2.594 1.00 0.00 H new ATOM 0 HD2 PRO A 236 8.900 1.737 5.538 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.369 0.591 4.298 1.00 0.00 H new ATOM 790 N GLY A 237 11.454 4.663 6.008 1.00 0.00 N ATOM 791 CA GLY A 237 12.086 5.610 6.908 1.00 0.00 C ATOM 792 C GLY A 237 13.229 4.993 7.690 1.00 0.00 C ATOM 793 O GLY A 237 14.129 5.697 8.148 1.00 0.00 O ATOM 0 H GLY A 237 10.461 4.504 6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.459 6.458 6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.342 5.998 7.603 1.00 0.00 H new ATOM 797 N HIS A 238 13.193 3.673 7.845 1.00 0.00 N ATOM 798 CA HIS A 238 14.234 2.961 8.578 1.00 0.00 C ATOM 799 C HIS A 238 15.520 2.885 7.760 1.00 0.00 C ATOM 800 O HIS A 238 16.608 3.160 8.267 1.00 0.00 O ATOM 801 CB HIS A 238 13.761 1.553 8.938 1.00 0.00 C ATOM 802 CG HIS A 238 14.881 0.578 9.138 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.444 0.322 10.371 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.540 -0.207 8.254 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.403 -0.577 10.236 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.481 -0.914 8.961 1.00 0.00 N ATOM 0 H HIS A 238 12.455 3.075 7.473 1.00 0.00 H new ATOM 0 HA HIS A 238 14.440 3.513 9.495 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.165 1.601 9.849 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.107 1.185 8.148 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.164 0.758 11.249 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.359 -0.266 7.191 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.018 -0.969 11.032 1.00 0.00 H new ATOM 814 N LEU A 239 15.387 2.510 6.492 1.00 0.00 N ATOM 815 CA LEU A 239 16.538 2.397 5.603 1.00 0.00 C ATOM 816 C LEU A 239 17.221 3.749 5.421 1.00 0.00 C ATOM 817 O LEU A 239 18.323 3.832 4.879 1.00 0.00 O ATOM 818 CB LEU A 239 16.106 1.844 4.244 1.00 0.00 C ATOM 819 CG LEU A 239 15.818 0.343 4.190 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.048 -0.008 2.927 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.114 -0.451 4.265 1.00 0.00 C ATOM 0 H LEU A 239 14.494 2.279 6.057 1.00 0.00 H new ATOM 0 HA LEU A 239 17.251 1.709 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.210 2.377 3.926 1.00 0.00 H new ATOM 0 HB3 LEU A 239 16.887 2.070 3.518 1.00 0.00 H new ATOM 0 HG LEU A 239 15.203 0.079 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.852 -1.080 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.102 0.534 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.637 0.270 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.890 -1.517 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.754 -0.183 3.424 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.627 -0.222 5.199 1.00 0.00 H new ATOM 833 N LYS A 240 16.559 4.806 5.880 1.00 0.00 N ATOM 834 CA LYS A 240 17.103 6.155 5.772 1.00 0.00 C ATOM 835 C LYS A 240 18.179 6.394 6.826 1.00 0.00 C ATOM 836 O LYS A 240 19.349 6.591 6.498 1.00 0.00 O ATOM 837 CB LYS A 240 15.986 7.190 5.924 1.00 0.00 C ATOM 838 CG LYS A 240 15.234 7.468 4.634 1.00 0.00 C ATOM 839 CD LYS A 240 15.895 8.576 3.831 1.00 0.00 C ATOM 840 CE LYS A 240 15.624 9.943 4.440 1.00 0.00 C ATOM 841 NZ LYS A 240 14.204 10.357 4.264 1.00 0.00 N ATOM 0 H LYS A 240 15.645 4.755 6.330 1.00 0.00 H new ATOM 0 HA LYS A 240 17.556 6.260 4.786 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.280 6.842 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.414 8.122 6.293 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.190 6.559 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 240 14.206 7.748 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 240 16.970 8.403 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 240 15.526 8.554 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 240 15.867 9.922 5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 240 16.278 10.683 3.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 14.116 11.378 4.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 13.898 10.145 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 13.605 9.838 4.937 1.00 0.00 H new ATOM 855 N ASP A 241 17.776 6.373 8.092 1.00 0.00 N ATOM 856 CA ASP A 241 18.707 6.585 9.194 1.00 0.00 C ATOM 857 C ASP A 241 18.952 5.286 9.955 1.00 0.00 C ATOM 858 O ASP A 241 20.074 4.781 9.995 1.00 0.00 O ATOM 859 CB ASP A 241 18.168 7.655 10.146 1.00 0.00 C ATOM 860 CG ASP A 241 19.095 7.906 11.319 1.00 0.00 C ATOM 861 OD1 ASP A 241 20.324 7.953 11.103 1.00 0.00 O ATOM 862 OD2 ASP A 241 18.592 8.054 12.452 1.00 0.00 O ATOM 0 H ASP A 241 16.811 6.211 8.380 1.00 0.00 H new ATOM 0 HA ASP A 241 19.655 6.925 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.021 8.585 9.597 1.00 0.00 H new ATOM 0 HB3 ASP A 241 17.191 7.347 10.518 1.00 0.00 H new ATOM 867 N SER A 242 17.896 4.752 10.559 1.00 0.00 N ATOM 868 CA SER A 242 17.998 3.514 11.324 1.00 0.00 C ATOM 869 C SER A 242 19.040 2.583 10.714 1.00 0.00 C ATOM 870 O SER A 242 20.121 2.390 11.272 1.00 0.00 O ATOM 871 CB SER A 242 16.640 2.812 11.380 1.00 0.00 C ATOM 872 OG SER A 242 15.813 3.379 12.381 1.00 0.00 O ATOM 0 H SER A 242 16.960 5.157 10.534 1.00 0.00 H new ATOM 0 HA SER A 242 18.311 3.766 12.337 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.147 2.889 10.411 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.784 1.750 11.581 1.00 0.00 H new ATOM 0 HG SER A 242 14.951 2.914 12.395 1.00 0.00 H new ATOM 878 N CYS A 243 18.708 2.007 9.563 1.00 0.00 N ATOM 879 CA CYS A 243 19.614 1.094 8.875 1.00 0.00 C ATOM 880 C CYS A 243 20.914 1.799 8.500 1.00 0.00 C ATOM 881 O CYS A 243 20.916 2.744 7.713 1.00 0.00 O ATOM 882 CB CYS A 243 18.946 0.531 7.619 1.00 0.00 C ATOM 883 SG CYS A 243 19.513 -1.138 7.161 1.00 0.00 S ATOM 0 H CYS A 243 17.818 2.156 9.087 1.00 0.00 H new ATOM 0 HA CYS A 243 19.848 0.273 9.553 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.867 0.507 7.774 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.134 1.208 6.786 1.00 0.00 H new ATOM 888 N ASN A 244 22.020 1.331 9.071 1.00 0.00 N ATOM 889 CA ASN A 244 23.328 1.915 8.797 1.00 0.00 C ATOM 890 C ASN A 244 24.062 1.125 7.718 1.00 0.00 C ATOM 891 O ASN A 244 24.835 0.214 8.017 1.00 0.00 O ATOM 892 CB ASN A 244 24.168 1.958 10.075 1.00 0.00 C ATOM 893 CG ASN A 244 25.441 2.763 9.903 1.00 0.00 C ATOM 894 OD1 ASN A 244 25.453 3.789 9.222 1.00 0.00 O ATOM 895 ND2 ASN A 244 26.522 2.301 10.521 1.00 0.00 N ATOM 0 H ASN A 244 22.036 0.549 9.726 1.00 0.00 H new ATOM 0 HA ASN A 244 23.176 2.932 8.436 1.00 0.00 H new ATOM 0 HB2 ASN A 244 23.575 2.389 10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 244 24.422 0.941 10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 244 27.408 2.801 10.441 1.00 0.00 H new ATOM 0 HD22 ASN A 244 26.467 1.446 11.075 1.00 0.00 H new ATOM 902 N THR A 245 23.815 1.480 6.461 1.00 0.00 N ATOM 903 CA THR A 245 24.452 0.805 5.337 1.00 0.00 C ATOM 904 C THR A 245 25.555 1.665 4.732 1.00 0.00 C ATOM 905 O THR A 245 25.417 2.883 4.624 1.00 0.00 O ATOM 906 CB THR A 245 23.429 0.454 4.240 1.00 0.00 C ATOM 907 OG1 THR A 245 24.089 -0.187 3.142 1.00 0.00 O ATOM 908 CG2 THR A 245 22.714 1.704 3.748 1.00 0.00 C ATOM 0 H THR A 245 23.178 2.231 6.196 1.00 0.00 H new ATOM 0 HA THR A 245 24.886 -0.116 5.726 1.00 0.00 H new ATOM 0 HB THR A 245 22.690 -0.225 4.666 1.00 0.00 H new ATOM 0 HG1 THR A 245 23.432 -0.409 2.450 1.00 0.00 H new ATOM 0 HG21 THR A 245 21.997 1.432 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 245 22.189 2.174 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 245 23.443 2.402 3.337 1.00 0.00 H new ATOM 916 N ALA A 246 26.650 1.024 4.337 1.00 0.00 N ATOM 917 CA ALA A 246 27.776 1.731 3.740 1.00 0.00 C ATOM 918 C ALA A 246 28.138 2.971 4.550 1.00 0.00 C ATOM 919 O ALA A 246 28.676 3.940 4.014 1.00 0.00 O ATOM 920 CB ALA A 246 27.457 2.112 2.302 1.00 0.00 C ATOM 0 H ALA A 246 26.781 0.016 4.420 1.00 0.00 H new ATOM 0 HA ALA A 246 28.637 1.062 3.745 1.00 0.00 H new ATOM 0 HB1 ALA A 246 28.307 2.639 1.868 1.00 0.00 H new ATOM 0 HB2 ALA A 246 27.255 1.211 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 246 26.580 2.759 2.283 1.00 0.00 H new ATOM 926 N LEU A 247 27.839 2.934 5.844 1.00 0.00 N ATOM 927 CA LEU A 247 28.133 4.056 6.729 1.00 0.00 C ATOM 928 C LEU A 247 28.577 3.564 8.103 1.00 0.00 C ATOM 929 O LEU A 247 28.279 2.436 8.496 1.00 0.00 O ATOM 930 CB LEU A 247 26.904 4.956 6.869 1.00 0.00 C ATOM 931 CG LEU A 247 26.784 6.092 5.853 1.00 0.00 C ATOM 932 CD1 LEU A 247 25.358 6.618 5.807 1.00 0.00 C ATOM 933 CD2 LEU A 247 27.758 7.212 6.188 1.00 0.00 C ATOM 0 H LEU A 247 27.393 2.140 6.303 1.00 0.00 H new ATOM 0 HA LEU A 247 28.948 4.631 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 247 26.012 4.333 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 247 26.908 5.389 7.869 1.00 0.00 H new ATOM 0 HG LEU A 247 27.037 5.701 4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 247 25.292 7.426 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 247 24.682 5.813 5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 247 25.076 6.993 6.791 1.00 0.00 H new ATOM 0 HD21 LEU A 247 27.659 8.012 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 247 27.537 7.601 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 247 28.777 6.826 6.168 1.00 0.00 H new ATOM 945 N VAL A 248 29.289 4.419 8.831 1.00 0.00 N ATOM 946 CA VAL A 248 29.771 4.073 10.162 1.00 0.00 C ATOM 947 C VAL A 248 28.811 4.566 11.239 1.00 0.00 C ATOM 948 O VAL A 248 28.238 3.773 11.985 1.00 0.00 O ATOM 949 CB VAL A 248 31.168 4.665 10.425 1.00 0.00 C ATOM 950 CG1 VAL A 248 31.621 4.357 11.844 1.00 0.00 C ATOM 951 CG2 VAL A 248 32.170 4.135 9.410 1.00 0.00 C ATOM 0 H VAL A 248 29.544 5.356 8.521 1.00 0.00 H new ATOM 0 HA VAL A 248 29.832 2.986 10.204 1.00 0.00 H new ATOM 0 HB VAL A 248 31.111 5.748 10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 248 32.610 4.783 12.011 1.00 0.00 H new ATOM 0 HG12 VAL A 248 30.915 4.789 12.553 1.00 0.00 H new ATOM 0 HG13 VAL A 248 31.663 3.277 11.986 1.00 0.00 H new ATOM 0 HG21 VAL A 248 33.152 4.563 9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 248 32.225 3.049 9.486 1.00 0.00 H new ATOM 0 HG23 VAL A 248 31.851 4.412 8.405 1.00 0.00 H new TER 961 VAL A 248 HETATM 962 ZN ZN A 300 -4.513 -5.319 6.675 1.00 0.00 ZN HETATM 963 ZN ZN A 400 17.932 -2.274 8.478 1.00 0.00 ZN