USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 423 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 229 HIS HD1 : A 229 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 230 THR OG1 : rot 168:sc= 0.896 USER MOD Set 1.2: A 233 GLN :FLIP amide:sc= -3.44! C(o=-4.4!,f=-2.5!) USER MOD Set 2.1: A 215 HIS : no HD1:sc=-0.00212 X(o=-0.0021,f=0) USER MOD Set 2.2: A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN :FLIP amide:sc= -0.212 F(o=-1.3!,f=-0.21) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 217 LYS NZ :NH3+ 160:sc= -0.0412 (180deg=-0.285) USER MOD Single : A 218 LYS NZ :NH3+ -166:sc=-0.00891 (180deg=-0.18) USER MOD Single : A 219 MET CE :methyl 171:sc= -0.0591 (180deg=-0.279) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.0567 USER MOD Single : A 223 SER OG : rot 150:sc= -0.0705 USER MOD Single : A 228 GLN :FLIP amide:sc= -0.164 F(o=-0.96,f=-0.16) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 SER OG : rot -49:sc= 0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.809 -0.901 14.070 1.00 0.00 N ATOM 2 CA PRO A 198 51.127 -0.500 12.682 1.00 0.00 C ATOM 3 C PRO A 198 51.861 0.853 12.596 1.00 0.00 C ATOM 4 O PRO A 198 52.524 1.145 11.612 1.00 0.00 O ATOM 5 CB PRO A 198 49.749 -0.405 12.003 1.00 0.00 C ATOM 6 CG PRO A 198 48.760 -0.384 13.123 1.00 0.00 C ATOM 7 CD PRO A 198 49.369 -1.176 14.229 1.00 0.00 C ATOM 0 HA PRO A 198 51.804 -1.213 12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.672 0.495 11.393 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.577 -1.254 11.342 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.555 0.638 13.443 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.809 -0.817 12.811 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.001 -0.858 15.205 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.147 -2.239 14.136 1.00 0.00 H new ATOM 15 N GLU A 199 51.759 1.637 13.644 1.00 0.00 N ATOM 16 CA GLU A 199 52.416 2.928 13.733 1.00 0.00 C ATOM 17 C GLU A 199 53.944 2.802 13.865 1.00 0.00 C ATOM 18 O GLU A 199 54.686 3.496 13.171 1.00 0.00 O ATOM 19 CB GLU A 199 51.810 3.749 14.859 1.00 0.00 C ATOM 20 CG GLU A 199 51.659 2.992 16.155 1.00 0.00 C ATOM 21 CD GLU A 199 51.032 3.807 17.234 1.00 0.00 C ATOM 22 OE1 GLU A 199 51.753 4.513 17.955 1.00 0.00 O ATOM 23 OE2 GLU A 199 49.802 3.745 17.394 1.00 0.00 O ATOM 0 H GLU A 199 51.212 1.397 14.471 1.00 0.00 H new ATOM 0 HA GLU A 199 52.243 3.456 12.795 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.434 4.626 15.032 1.00 0.00 H new ATOM 0 HB3 GLU A 199 50.831 4.111 14.545 1.00 0.00 H new ATOM 0 HG2 GLU A 199 51.054 2.102 15.981 1.00 0.00 H new ATOM 0 HG3 GLU A 199 52.640 2.652 16.487 1.00 0.00 H new ATOM 30 N GLU A 200 54.419 1.897 14.732 1.00 0.00 N ATOM 31 CA GLU A 200 55.883 1.667 14.862 1.00 0.00 C ATOM 32 C GLU A 200 56.338 1.073 13.597 1.00 0.00 C ATOM 33 O GLU A 200 57.427 1.302 13.142 1.00 0.00 O ATOM 34 CB GLU A 200 56.258 0.605 15.865 1.00 0.00 C ATOM 35 CG GLU A 200 55.280 0.317 16.933 1.00 0.00 C ATOM 36 CD GLU A 200 55.115 1.442 17.917 1.00 0.00 C ATOM 37 OE1 GLU A 200 55.893 1.505 18.877 1.00 0.00 O ATOM 38 OE2 GLU A 200 54.202 2.250 17.774 1.00 0.00 O ATOM 0 H GLU A 200 53.838 1.322 15.342 1.00 0.00 H new ATOM 0 HA GLU A 200 56.312 2.628 15.147 1.00 0.00 H new ATOM 0 HB2 GLU A 200 56.450 -0.321 15.323 1.00 0.00 H new ATOM 0 HB3 GLU A 200 57.196 0.899 16.335 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.313 0.097 16.480 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.592 -0.580 17.468 1.00 0.00 H new ATOM 45 N LEU A 201 55.477 0.251 13.075 1.00 0.00 N ATOM 46 CA LEU A 201 55.709 -0.460 11.887 1.00 0.00 C ATOM 47 C LEU A 201 55.967 0.498 10.716 1.00 0.00 C ATOM 48 O LEU A 201 56.910 0.332 9.948 1.00 0.00 O ATOM 49 CB LEU A 201 54.533 -1.379 11.640 1.00 0.00 C ATOM 50 CG LEU A 201 54.458 -1.972 10.257 1.00 0.00 C ATOM 51 CD1 LEU A 201 53.916 -3.369 10.295 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.553 -1.139 9.396 1.00 0.00 C ATOM 0 H LEU A 201 54.566 0.062 13.492 1.00 0.00 H new ATOM 0 HA LEU A 201 56.609 -1.068 11.980 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.570 -2.192 12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.614 -0.825 11.830 1.00 0.00 H new ATOM 0 HG LEU A 201 55.468 -1.990 9.848 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.874 -3.770 9.283 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.566 -3.995 10.907 1.00 0.00 H new ATOM 0 HD13 LEU A 201 52.914 -3.359 10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.502 -1.572 8.397 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.555 -1.116 9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.945 -0.124 9.332 1.00 0.00 H new ATOM 64 N ARG A 202 55.082 1.449 10.589 1.00 0.00 N ATOM 65 CA ARG A 202 55.162 2.546 9.674 1.00 0.00 C ATOM 66 C ARG A 202 56.518 3.225 9.836 1.00 0.00 C ATOM 67 O ARG A 202 57.183 3.569 8.857 1.00 0.00 O ATOM 68 CB ARG A 202 54.058 3.524 10.071 1.00 0.00 C ATOM 69 CG ARG A 202 53.422 4.242 8.951 1.00 0.00 C ATOM 70 CD ARG A 202 54.391 5.075 8.177 1.00 0.00 C ATOM 71 NE ARG A 202 54.737 6.332 8.852 1.00 0.00 N ATOM 72 CZ ARG A 202 55.780 7.119 8.534 1.00 0.00 C ATOM 73 NH1 ARG A 202 56.676 6.724 7.635 1.00 0.00 N ATOM 74 NH2 ARG A 202 55.927 8.300 9.128 1.00 0.00 N ATOM 0 H ARG A 202 54.236 1.477 11.158 1.00 0.00 H new ATOM 0 HA ARG A 202 55.049 2.218 8.641 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.288 2.976 10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 202 54.475 4.257 10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 202 52.953 3.521 8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 202 52.628 4.881 9.338 1.00 0.00 H new ATOM 0 HD2 ARG A 202 55.300 4.499 8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 202 53.967 5.300 7.198 1.00 0.00 H new ATOM 0 HE ARG A 202 54.140 6.632 9.622 1.00 0.00 H new ATOM 0 HH11 ARG A 202 56.576 5.817 7.180 1.00 0.00 H new ATOM 0 HH12 ARG A 202 57.464 7.328 7.401 1.00 0.00 H new ATOM 0 HH21 ARG A 202 55.249 8.608 9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 202 56.718 8.897 8.887 1.00 0.00 H new ATOM 88 N SER A 203 56.913 3.389 11.077 1.00 0.00 N ATOM 89 CA SER A 203 58.169 3.993 11.403 1.00 0.00 C ATOM 90 C SER A 203 59.343 3.076 10.986 1.00 0.00 C ATOM 91 O SER A 203 60.390 3.558 10.511 1.00 0.00 O ATOM 92 CB SER A 203 58.217 4.338 12.902 1.00 0.00 C ATOM 93 OG SER A 203 59.439 4.962 13.265 1.00 0.00 O ATOM 0 H SER A 203 56.364 3.103 11.888 1.00 0.00 H new ATOM 0 HA SER A 203 58.272 4.922 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 203 57.385 4.998 13.149 1.00 0.00 H new ATOM 0 HB3 SER A 203 58.086 3.428 13.488 1.00 0.00 H new ATOM 0 HG SER A 203 59.430 5.167 14.223 1.00 0.00 H new ATOM 99 N LEU A 204 59.154 1.769 11.160 1.00 0.00 N ATOM 100 CA LEU A 204 60.122 0.758 10.795 1.00 0.00 C ATOM 101 C LEU A 204 60.429 0.857 9.316 1.00 0.00 C ATOM 102 O LEU A 204 61.571 1.080 8.935 1.00 0.00 O ATOM 103 CB LEU A 204 59.584 -0.658 11.146 1.00 0.00 C ATOM 104 CG LEU A 204 60.574 -1.829 10.955 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.341 -2.908 11.969 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.445 -2.436 9.563 1.00 0.00 C ATOM 0 H LEU A 204 58.302 1.384 11.568 1.00 0.00 H new ATOM 0 HA LEU A 204 61.040 0.923 11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.256 -0.652 12.186 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.702 -0.851 10.535 1.00 0.00 H new ATOM 0 HG LEU A 204 61.576 -1.419 11.084 1.00 0.00 H new ATOM 0 HD11 LEU A 204 61.053 -3.718 11.809 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.475 -2.501 12.971 1.00 0.00 H new ATOM 0 HD13 LEU A 204 59.326 -3.291 11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.154 -3.257 9.457 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.431 -2.811 9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.658 -1.674 8.813 1.00 0.00 H new ATOM 118 N LEU A 205 59.385 0.771 8.501 1.00 0.00 N ATOM 119 CA LEU A 205 59.496 0.797 7.035 1.00 0.00 C ATOM 120 C LEU A 205 60.188 2.038 6.450 1.00 0.00 C ATOM 121 O LEU A 205 60.491 2.062 5.261 1.00 0.00 O ATOM 122 CB LEU A 205 58.132 0.577 6.355 1.00 0.00 C ATOM 123 CG LEU A 205 57.691 -0.879 6.096 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.683 -1.574 5.186 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.512 -1.662 7.385 1.00 0.00 C ATOM 0 H LEU A 205 58.426 0.680 8.835 1.00 0.00 H new ATOM 0 HA LEU A 205 60.157 -0.040 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.369 1.055 6.969 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.145 1.100 5.399 1.00 0.00 H new ATOM 0 HG LEU A 205 56.719 -0.843 5.605 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.360 -2.600 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.737 -1.044 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.667 -1.578 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.201 -2.680 7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.456 -1.686 7.930 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.750 -1.182 7.999 1.00 0.00 H new ATOM 137 N THR A 206 60.426 3.047 7.250 1.00 0.00 N ATOM 138 CA THR A 206 61.096 4.211 6.793 1.00 0.00 C ATOM 139 C THR A 206 62.628 3.955 6.658 1.00 0.00 C ATOM 140 O THR A 206 63.293 4.559 5.815 1.00 0.00 O ATOM 141 CB THR A 206 60.839 5.351 7.779 1.00 0.00 C ATOM 142 OG1 THR A 206 59.425 5.425 8.055 1.00 0.00 O ATOM 143 CG2 THR A 206 61.290 6.665 7.198 1.00 0.00 C ATOM 0 H THR A 206 60.156 3.073 8.233 1.00 0.00 H new ATOM 0 HA THR A 206 60.713 4.478 5.808 1.00 0.00 H new ATOM 0 HB THR A 206 61.398 5.157 8.694 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.253 6.153 8.688 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.099 7.464 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.357 6.620 6.981 1.00 0.00 H new ATOM 0 HG23 THR A 206 60.741 6.864 6.278 1.00 0.00 H new ATOM 151 N THR A 207 63.171 3.045 7.461 1.00 0.00 N ATOM 152 CA THR A 207 64.605 2.808 7.427 1.00 0.00 C ATOM 153 C THR A 207 64.962 1.308 7.580 1.00 0.00 C ATOM 154 O THR A 207 66.072 0.869 7.221 1.00 0.00 O ATOM 155 CB THR A 207 65.336 3.688 8.488 1.00 0.00 C ATOM 156 OG1 THR A 207 66.761 3.506 8.426 1.00 0.00 O ATOM 157 CG2 THR A 207 64.827 3.390 9.891 1.00 0.00 C ATOM 0 H THR A 207 62.652 2.473 8.127 1.00 0.00 H new ATOM 0 HA THR A 207 64.959 3.105 6.440 1.00 0.00 H new ATOM 0 HB THR A 207 65.115 4.730 8.254 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.193 4.071 9.101 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.354 4.017 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.758 3.598 9.942 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.004 2.341 10.127 1.00 0.00 H new ATOM 165 N GLN A 208 64.030 0.529 8.073 1.00 0.00 N ATOM 166 CA GLN A 208 64.223 -0.868 8.245 1.00 0.00 C ATOM 167 C GLN A 208 63.501 -1.592 7.140 1.00 0.00 C ATOM 168 O GLN A 208 62.380 -1.244 6.804 1.00 0.00 O ATOM 169 CB GLN A 208 63.712 -1.314 9.604 1.00 0.00 C ATOM 170 CG GLN A 208 64.429 -0.682 10.781 1.00 0.00 C ATOM 171 CD GLN A 208 64.146 -1.385 12.097 1.00 0.00 C ATOM 172 OE1 GLN A 208 64.061 -2.695 12.074 1.00 0.00 O flip ATOM 173 NE2 GLN A 208 64.097 -0.749 13.153 1.00 0.00 N flip ATOM 0 H GLN A 208 63.111 0.862 8.365 1.00 0.00 H new ATOM 0 HA GLN A 208 65.287 -1.101 8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.650 -1.081 9.674 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.806 -2.398 9.676 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.503 -0.693 10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 208 64.130 0.363 10.862 1.00 0.00 H new ATOM 0 HE21 GLN A 208 64.166 0.269 13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 208 63.988 -1.241 14.040 1.00 0.00 H new ATOM 182 N CYS A 209 64.184 -2.574 6.598 1.00 0.00 N ATOM 183 CA CYS A 209 63.796 -3.409 5.466 1.00 0.00 C ATOM 184 C CYS A 209 62.304 -3.721 5.474 1.00 0.00 C ATOM 185 O CYS A 209 61.561 -3.161 4.689 1.00 0.00 O ATOM 186 CB CYS A 209 64.681 -4.683 5.487 1.00 0.00 C ATOM 187 SG CYS A 209 65.260 -5.282 3.866 1.00 0.00 S ATOM 0 H CYS A 209 65.100 -2.837 6.961 1.00 0.00 H new ATOM 0 HA CYS A 209 63.964 -2.875 4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.552 -4.485 6.111 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.119 -5.484 5.968 1.00 0.00 H new ATOM 192 N GLY A 210 61.884 -4.609 6.318 1.00 0.00 N ATOM 193 CA GLY A 210 60.490 -4.869 6.495 1.00 0.00 C ATOM 194 C GLY A 210 59.919 -5.767 5.446 1.00 0.00 C ATOM 195 O GLY A 210 58.767 -6.130 5.508 1.00 0.00 O ATOM 0 H GLY A 210 62.498 -5.175 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.333 -5.320 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 210 59.947 -3.924 6.489 1.00 0.00 H new ATOM 199 N VAL A 211 60.744 -6.181 4.504 1.00 0.00 N ATOM 200 CA VAL A 211 60.270 -7.006 3.427 1.00 0.00 C ATOM 201 C VAL A 211 59.950 -8.409 3.873 1.00 0.00 C ATOM 202 O VAL A 211 60.805 -9.095 4.433 1.00 0.00 O ATOM 203 CB VAL A 211 61.288 -6.979 2.321 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.645 -7.287 2.775 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.884 -7.679 1.029 1.00 0.00 C ATOM 0 H VAL A 211 61.739 -5.958 4.468 1.00 0.00 H new ATOM 0 HA VAL A 211 59.326 -6.603 3.059 1.00 0.00 H new ATOM 0 HB VAL A 211 61.311 -5.932 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.329 -7.250 1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 211 62.953 -6.556 3.522 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.664 -8.285 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.693 -7.597 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.684 -8.731 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 211 59.986 -7.210 0.627 1.00 0.00 H new ATOM 215 N ILE A 212 58.710 -8.792 3.682 1.00 0.00 N ATOM 216 CA ILE A 212 58.264 -10.119 4.041 1.00 0.00 C ATOM 217 C ILE A 212 58.844 -11.117 3.048 1.00 0.00 C ATOM 218 O ILE A 212 58.391 -11.212 1.903 1.00 0.00 O ATOM 219 CB ILE A 212 56.689 -10.278 4.125 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.038 -9.311 5.140 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.304 -11.699 4.501 1.00 0.00 C ATOM 222 CD1 ILE A 212 55.929 -7.878 4.685 1.00 0.00 C ATOM 0 H ILE A 212 57.986 -8.199 3.277 1.00 0.00 H new ATOM 0 HA ILE A 212 58.626 -10.313 5.051 1.00 0.00 H new ATOM 0 HB ILE A 212 56.316 -10.033 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 212 55.039 -9.677 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.615 -9.339 6.065 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.218 -11.780 4.552 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.685 -12.390 3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.732 -11.947 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 212 55.459 -7.282 5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 212 56.925 -7.485 4.478 1.00 0.00 H new ATOM 0 HD13 ILE A 212 55.324 -7.829 3.779 1.00 0.00 H new ATOM 234 N SER A 213 59.884 -11.794 3.481 1.00 0.00 N ATOM 235 CA SER A 213 60.598 -12.766 2.668 1.00 0.00 C ATOM 236 C SER A 213 59.663 -13.945 2.372 1.00 0.00 C ATOM 237 O SER A 213 59.510 -14.388 1.237 1.00 0.00 O ATOM 238 CB SER A 213 61.815 -13.248 3.478 1.00 0.00 C ATOM 239 OG SER A 213 62.792 -13.925 2.689 1.00 0.00 O ATOM 0 H SER A 213 60.267 -11.687 4.420 1.00 0.00 H new ATOM 0 HA SER A 213 60.926 -12.329 1.725 1.00 0.00 H new ATOM 0 HB2 SER A 213 62.282 -12.390 3.963 1.00 0.00 H new ATOM 0 HB3 SER A 213 61.473 -13.915 4.270 1.00 0.00 H new ATOM 0 HG SER A 213 63.538 -14.203 3.260 1.00 0.00 H new ATOM 245 N GLU A 214 59.018 -14.381 3.410 1.00 0.00 N ATOM 246 CA GLU A 214 58.109 -15.488 3.428 1.00 0.00 C ATOM 247 C GLU A 214 57.363 -15.302 4.713 1.00 0.00 C ATOM 248 O GLU A 214 57.885 -14.611 5.581 1.00 0.00 O ATOM 249 CB GLU A 214 58.916 -16.813 3.432 1.00 0.00 C ATOM 250 CG GLU A 214 58.088 -18.087 3.536 1.00 0.00 C ATOM 251 CD GLU A 214 57.025 -18.176 2.478 1.00 0.00 C ATOM 252 OE1 GLU A 214 55.902 -17.674 2.713 1.00 0.00 O ATOM 253 OE2 GLU A 214 57.284 -18.739 1.402 1.00 0.00 O ATOM 0 H GLU A 214 59.118 -13.945 4.327 1.00 0.00 H new ATOM 0 HA GLU A 214 57.442 -15.532 2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 214 59.508 -16.860 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 214 59.618 -16.788 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 214 58.747 -18.951 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 214 57.620 -18.132 4.520 1.00 0.00 H new ATOM 260 N HIS A 215 56.190 -15.881 4.876 1.00 0.00 N ATOM 261 CA HIS A 215 55.429 -15.665 6.117 1.00 0.00 C ATOM 262 C HIS A 215 56.176 -16.226 7.337 1.00 0.00 C ATOM 263 O HIS A 215 56.035 -15.737 8.441 1.00 0.00 O ATOM 264 CB HIS A 215 53.952 -16.165 6.030 1.00 0.00 C ATOM 265 CG HIS A 215 53.723 -17.654 5.856 1.00 0.00 C ATOM 266 ND1 HIS A 215 52.490 -18.210 6.111 1.00 0.00 N ATOM 267 CD2 HIS A 215 54.562 -18.630 5.438 1.00 0.00 C ATOM 268 CE1 HIS A 215 52.613 -19.500 5.842 1.00 0.00 C ATOM 269 NE2 HIS A 215 53.845 -19.790 5.437 1.00 0.00 N ATOM 0 H HIS A 215 55.742 -16.491 4.192 1.00 0.00 H new ATOM 0 HA HIS A 215 55.354 -14.586 6.253 1.00 0.00 H new ATOM 0 HB2 HIS A 215 53.437 -15.850 6.937 1.00 0.00 H new ATOM 0 HB3 HIS A 215 53.472 -15.652 5.197 1.00 0.00 H new ATOM 0 HD2 HIS A 215 55.599 -18.513 5.159 1.00 0.00 H new ATOM 0 HE1 HIS A 215 51.816 -20.223 5.939 1.00 0.00 H new ATOM 0 HE2 HIS A 215 54.191 -20.712 5.173 1.00 0.00 H new ATOM 277 N THR A 216 57.015 -17.204 7.087 1.00 0.00 N ATOM 278 CA THR A 216 57.834 -17.831 8.094 1.00 0.00 C ATOM 279 C THR A 216 58.997 -16.893 8.544 1.00 0.00 C ATOM 280 O THR A 216 59.478 -16.977 9.681 1.00 0.00 O ATOM 281 CB THR A 216 58.394 -19.136 7.496 1.00 0.00 C ATOM 282 OG1 THR A 216 57.297 -19.879 6.928 1.00 0.00 O ATOM 283 CG2 THR A 216 59.084 -19.988 8.549 1.00 0.00 C ATOM 0 H THR A 216 57.149 -17.594 6.154 1.00 0.00 H new ATOM 0 HA THR A 216 57.234 -18.041 8.980 1.00 0.00 H new ATOM 0 HB THR A 216 59.135 -18.883 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 216 57.633 -20.714 6.540 1.00 0.00 H new ATOM 0 HG21 THR A 216 59.465 -20.899 8.087 1.00 0.00 H new ATOM 0 HG22 THR A 216 59.912 -19.428 8.985 1.00 0.00 H new ATOM 0 HG23 THR A 216 58.371 -20.248 9.331 1.00 0.00 H new ATOM 291 N LYS A 217 59.408 -15.981 7.667 1.00 0.00 N ATOM 292 CA LYS A 217 60.535 -15.096 7.950 1.00 0.00 C ATOM 293 C LYS A 217 59.986 -13.729 8.333 1.00 0.00 C ATOM 294 O LYS A 217 60.612 -12.990 9.051 1.00 0.00 O ATOM 295 CB LYS A 217 61.378 -14.975 6.674 1.00 0.00 C ATOM 296 CG LYS A 217 62.906 -14.747 6.815 1.00 0.00 C ATOM 297 CD LYS A 217 63.336 -13.387 7.411 1.00 0.00 C ATOM 298 CE LYS A 217 63.505 -13.415 8.935 1.00 0.00 C ATOM 299 NZ LYS A 217 64.611 -14.288 9.366 1.00 0.00 N ATOM 0 H LYS A 217 58.977 -15.835 6.754 1.00 0.00 H new ATOM 0 HA LYS A 217 61.147 -15.486 8.763 1.00 0.00 H new ATOM 0 HB2 LYS A 217 61.231 -15.885 6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 217 60.973 -14.152 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 217 63.316 -15.541 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 217 63.361 -14.850 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 217 64.277 -13.080 6.954 1.00 0.00 H new ATOM 0 HD3 LYS A 217 62.594 -12.633 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 217 63.685 -12.402 9.296 1.00 0.00 H new ATOM 0 HE3 LYS A 217 62.577 -13.757 9.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 64.906 -14.026 10.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 64.294 -15.279 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 65.415 -14.177 8.715 1.00 0.00 H new ATOM 313 N LYS A 218 58.792 -13.438 7.817 1.00 0.00 N ATOM 314 CA LYS A 218 58.055 -12.207 7.993 1.00 0.00 C ATOM 315 C LYS A 218 58.864 -10.988 7.535 1.00 0.00 C ATOM 316 O LYS A 218 59.712 -11.095 6.627 1.00 0.00 O ATOM 317 CB LYS A 218 57.444 -12.036 9.417 1.00 0.00 C ATOM 318 CG LYS A 218 58.421 -11.841 10.565 1.00 0.00 C ATOM 319 CD LYS A 218 57.737 -11.329 11.806 1.00 0.00 C ATOM 320 CE LYS A 218 58.718 -11.177 12.950 1.00 0.00 C ATOM 321 NZ LYS A 218 59.233 -12.481 13.408 1.00 0.00 N ATOM 0 H LYS A 218 58.290 -14.104 7.229 1.00 0.00 H new ATOM 0 HA LYS A 218 57.190 -12.278 7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 218 56.770 -11.180 9.396 1.00 0.00 H new ATOM 0 HB3 LYS A 218 56.837 -12.915 9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 218 58.914 -12.788 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 218 59.199 -11.139 10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 218 57.268 -10.368 11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 218 56.941 -12.015 12.095 1.00 0.00 H new ATOM 0 HE2 LYS A 218 59.550 -10.548 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 218 58.231 -10.667 13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 59.706 -12.364 14.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 58.443 -13.150 13.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 59.913 -12.849 12.713 1.00 0.00 H new ATOM 335 N MET A 219 58.527 -9.847 8.092 1.00 0.00 N ATOM 336 CA MET A 219 59.161 -8.573 7.813 1.00 0.00 C ATOM 337 C MET A 219 60.645 -8.654 8.060 1.00 0.00 C ATOM 338 O MET A 219 61.085 -9.127 9.099 1.00 0.00 O ATOM 339 CB MET A 219 58.572 -7.518 8.725 1.00 0.00 C ATOM 340 CG MET A 219 57.119 -7.351 8.576 1.00 0.00 C ATOM 341 SD MET A 219 56.394 -6.383 9.924 1.00 0.00 S ATOM 342 CE MET A 219 57.251 -4.826 9.713 1.00 0.00 C ATOM 0 H MET A 219 57.776 -9.775 8.778 1.00 0.00 H new ATOM 0 HA MET A 219 58.988 -8.316 6.768 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.794 -7.780 9.759 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.061 -6.564 8.525 1.00 0.00 H new ATOM 0 HG2 MET A 219 56.908 -6.861 7.626 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.645 -8.332 8.541 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.804 -4.074 10.363 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.302 -4.951 9.973 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.170 -4.504 8.675 1.00 0.00 H new ATOM 352 N CYS A 220 61.407 -8.203 7.108 1.00 0.00 N ATOM 353 CA CYS A 220 62.838 -8.240 7.240 1.00 0.00 C ATOM 354 C CYS A 220 63.334 -7.171 8.246 1.00 0.00 C ATOM 355 O CYS A 220 62.811 -6.079 8.284 1.00 0.00 O ATOM 356 CB CYS A 220 63.475 -8.084 5.899 1.00 0.00 C ATOM 357 SG CYS A 220 65.211 -8.289 5.956 1.00 0.00 S ATOM 0 H CYS A 220 61.065 -7.806 6.233 1.00 0.00 H new ATOM 0 HA CYS A 220 63.132 -9.209 7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.048 -8.813 5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.242 -7.096 5.502 1.00 0.00 H new ATOM 362 N THR A 221 64.377 -7.466 8.976 1.00 0.00 N ATOM 363 CA THR A 221 64.782 -6.659 10.108 1.00 0.00 C ATOM 364 C THR A 221 65.839 -5.576 9.818 1.00 0.00 C ATOM 365 O THR A 221 65.700 -4.435 10.293 1.00 0.00 O ATOM 366 CB THR A 221 65.258 -7.609 11.174 1.00 0.00 C ATOM 367 OG1 THR A 221 66.162 -8.545 10.550 1.00 0.00 O ATOM 368 CG2 THR A 221 64.070 -8.361 11.725 1.00 0.00 C ATOM 0 H THR A 221 64.975 -8.275 8.806 1.00 0.00 H new ATOM 0 HA THR A 221 63.916 -6.077 10.422 1.00 0.00 H new ATOM 0 HB THR A 221 65.754 -7.072 11.982 1.00 0.00 H new ATOM 0 HG1 THR A 221 66.492 -9.178 11.221 1.00 0.00 H new ATOM 0 HG21 THR A 221 64.404 -9.052 12.499 1.00 0.00 H new ATOM 0 HG22 THR A 221 63.359 -7.654 12.152 1.00 0.00 H new ATOM 0 HG23 THR A 221 63.589 -8.920 10.922 1.00 0.00 H new ATOM 376 N ARG A 222 66.891 -5.920 9.055 1.00 0.00 N ATOM 377 CA ARG A 222 67.974 -4.959 8.731 1.00 0.00 C ATOM 378 C ARG A 222 67.487 -3.744 7.957 1.00 0.00 C ATOM 379 O ARG A 222 66.314 -3.586 7.723 1.00 0.00 O ATOM 380 CB ARG A 222 69.095 -5.607 7.932 1.00 0.00 C ATOM 381 CG ARG A 222 69.961 -6.568 8.711 1.00 0.00 C ATOM 382 CD ARG A 222 71.102 -7.066 7.848 1.00 0.00 C ATOM 383 NE ARG A 222 71.878 -5.962 7.252 1.00 0.00 N ATOM 384 CZ ARG A 222 72.516 -6.017 6.065 1.00 0.00 C ATOM 385 NH1 ARG A 222 72.546 -7.163 5.371 1.00 0.00 N ATOM 386 NH2 ARG A 222 73.147 -4.937 5.598 1.00 0.00 N ATOM 0 H ARG A 222 67.019 -6.848 8.651 1.00 0.00 H new ATOM 0 HA ARG A 222 68.347 -4.632 9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.658 -6.139 7.087 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.729 -4.821 7.521 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.356 -6.074 9.599 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.362 -7.411 9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 222 71.764 -7.689 8.449 1.00 0.00 H new ATOM 0 HD3 ARG A 222 70.705 -7.698 7.054 1.00 0.00 H new ATOM 0 HE ARG A 222 71.937 -5.090 7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.086 -7.995 5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 222 73.029 -7.203 4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 222 73.146 -4.072 6.139 1.00 0.00 H new ATOM 0 HH22 ARG A 222 73.630 -4.977 4.701 1.00 0.00 H new ATOM 400 N SER A 223 68.421 -2.917 7.534 1.00 0.00 N ATOM 401 CA SER A 223 68.147 -1.722 6.737 1.00 0.00 C ATOM 402 C SER A 223 67.358 -2.066 5.449 1.00 0.00 C ATOM 403 O SER A 223 67.308 -3.218 5.033 1.00 0.00 O ATOM 404 CB SER A 223 69.479 -1.035 6.384 1.00 0.00 C ATOM 405 OG SER A 223 69.288 0.056 5.509 1.00 0.00 O ATOM 0 H SER A 223 69.412 -3.052 7.734 1.00 0.00 H new ATOM 0 HA SER A 223 67.527 -1.045 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.963 -0.689 7.297 1.00 0.00 H new ATOM 0 HB3 SER A 223 70.151 -1.759 5.922 1.00 0.00 H new ATOM 0 HG SER A 223 69.981 0.730 5.670 1.00 0.00 H new ATOM 411 N LEU A 224 66.750 -1.074 4.847 1.00 0.00 N ATOM 412 CA LEU A 224 65.956 -1.213 3.616 1.00 0.00 C ATOM 413 C LEU A 224 66.733 -1.961 2.530 1.00 0.00 C ATOM 414 O LEU A 224 66.239 -2.943 1.946 1.00 0.00 O ATOM 415 CB LEU A 224 65.633 0.169 3.103 1.00 0.00 C ATOM 416 CG LEU A 224 64.885 1.085 4.059 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.727 2.427 3.443 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.530 0.522 4.395 1.00 0.00 C ATOM 0 H LEU A 224 66.785 -0.116 5.196 1.00 0.00 H new ATOM 0 HA LEU A 224 65.053 -1.778 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.567 0.657 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.041 0.067 2.194 1.00 0.00 H new ATOM 0 HG LEU A 224 65.463 1.167 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.191 3.082 4.130 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.710 2.849 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.164 2.337 2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.016 1.196 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 224 62.944 0.415 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.648 -0.454 4.866 1.00 0.00 H new ATOM 430 N ARG A 225 67.961 -1.548 2.346 1.00 0.00 N ATOM 431 CA ARG A 225 68.858 -2.068 1.315 1.00 0.00 C ATOM 432 C ARG A 225 69.716 -3.205 1.802 1.00 0.00 C ATOM 433 O ARG A 225 70.732 -3.529 1.203 1.00 0.00 O ATOM 434 CB ARG A 225 69.698 -0.950 0.747 1.00 0.00 C ATOM 435 CG ARG A 225 70.185 0.062 1.758 1.00 0.00 C ATOM 436 CD ARG A 225 71.171 -0.476 2.769 1.00 0.00 C ATOM 437 NE ARG A 225 71.659 0.602 3.637 1.00 0.00 N ATOM 438 CZ ARG A 225 72.482 0.459 4.676 1.00 0.00 C ATOM 439 NH1 ARG A 225 73.090 -0.696 4.905 1.00 0.00 N ATOM 440 NH2 ARG A 225 72.719 1.487 5.468 1.00 0.00 N ATOM 0 H ARG A 225 68.388 -0.820 2.919 1.00 0.00 H new ATOM 0 HA ARG A 225 68.235 -2.482 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.563 -1.385 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 225 69.116 -0.430 -0.014 1.00 0.00 H new ATOM 0 HG2 ARG A 225 70.649 0.892 1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 225 69.324 0.466 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 225 70.696 -1.250 3.372 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.010 -0.944 2.254 1.00 0.00 H new ATOM 0 HE ARG A 225 71.339 1.547 3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 225 72.931 -1.488 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 225 73.717 -0.793 5.703 1.00 0.00 H new ATOM 0 HH21 ARG A 225 72.273 2.386 5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 225 73.348 1.383 6.264 1.00 0.00 H new ATOM 454 N CYS A 226 69.272 -3.795 2.881 1.00 0.00 N ATOM 455 CA CYS A 226 69.890 -4.944 3.528 1.00 0.00 C ATOM 456 C CYS A 226 70.595 -5.995 2.577 1.00 0.00 C ATOM 457 O CYS A 226 71.785 -6.220 2.722 1.00 0.00 O ATOM 458 CB CYS A 226 68.796 -5.515 4.402 1.00 0.00 C ATOM 459 SG CYS A 226 68.485 -7.244 4.421 1.00 0.00 S ATOM 0 H CYS A 226 68.430 -3.479 3.363 1.00 0.00 H new ATOM 0 HA CYS A 226 70.760 -4.631 4.106 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.013 -5.215 5.427 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.866 -5.023 4.117 1.00 0.00 H new ATOM 464 N PRO A 227 69.890 -6.637 1.620 1.00 0.00 N ATOM 465 CA PRO A 227 70.451 -7.672 0.755 1.00 0.00 C ATOM 466 C PRO A 227 70.284 -7.311 -0.765 1.00 0.00 C ATOM 467 O PRO A 227 71.018 -6.495 -1.302 1.00 0.00 O ATOM 468 CB PRO A 227 69.473 -8.788 1.134 1.00 0.00 C ATOM 469 CG PRO A 227 68.207 -8.019 1.442 1.00 0.00 C ATOM 470 CD PRO A 227 68.522 -6.557 1.342 1.00 0.00 C ATOM 0 HA PRO A 227 71.516 -7.870 0.876 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.330 -9.497 0.319 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.821 -9.359 1.995 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.417 -8.288 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.845 -8.264 2.440 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.311 -6.142 0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 227 67.975 -5.953 2.066 1.00 0.00 H new ATOM 478 N GLN A 228 69.264 -7.905 -1.407 1.00 0.00 N ATOM 479 CA GLN A 228 68.881 -7.623 -2.754 1.00 0.00 C ATOM 480 C GLN A 228 67.426 -7.153 -2.690 1.00 0.00 C ATOM 481 O GLN A 228 66.735 -7.004 -3.687 1.00 0.00 O ATOM 482 CB GLN A 228 69.025 -8.888 -3.608 1.00 0.00 C ATOM 483 CG GLN A 228 68.756 -8.679 -5.090 1.00 0.00 C ATOM 484 CD GLN A 228 69.660 -7.649 -5.735 1.00 0.00 C ATOM 485 OE1 GLN A 228 70.881 -7.537 -5.270 1.00 0.00 O flip ATOM 486 NE2 GLN A 228 69.258 -6.971 -6.671 1.00 0.00 N flip ATOM 0 H GLN A 228 68.679 -8.615 -0.966 1.00 0.00 H new ATOM 0 HA GLN A 228 69.510 -6.859 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.034 -9.281 -3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.340 -9.647 -3.230 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.875 -9.630 -5.609 1.00 0.00 H new ATOM 0 HG3 GLN A 228 67.718 -8.372 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 228 68.302 -7.083 -7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 228 69.879 -6.294 -7.114 1.00 0.00 H new ATOM 495 N HIS A 229 66.964 -6.962 -1.456 1.00 0.00 N ATOM 496 CA HIS A 229 65.679 -6.410 -1.194 1.00 0.00 C ATOM 497 C HIS A 229 65.674 -4.952 -1.647 1.00 0.00 C ATOM 498 O HIS A 229 66.212 -4.067 -0.976 1.00 0.00 O ATOM 499 CB HIS A 229 65.249 -6.522 0.285 1.00 0.00 C ATOM 500 CG HIS A 229 65.089 -7.968 0.873 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.398 -8.407 2.264 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.399 -8.965 0.294 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.819 -9.548 2.361 1.00 0.00 C ATOM 504 NE2 HIS A 229 64.229 -9.955 1.219 1.00 0.00 N ATOM 0 H HIS A 229 67.493 -7.195 -0.616 1.00 0.00 H new ATOM 0 HA HIS A 229 64.948 -6.992 -1.755 1.00 0.00 H new ATOM 0 HB2 HIS A 229 65.981 -5.989 0.892 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.298 -6.002 0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 229 64.041 -8.981 -0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.806 -10.128 3.272 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.744 -10.840 1.073 1.00 0.00 H new ATOM 512 N THR A 230 65.048 -4.753 -2.750 1.00 0.00 N ATOM 513 CA THR A 230 65.044 -3.525 -3.517 1.00 0.00 C ATOM 514 C THR A 230 64.102 -2.474 -2.952 1.00 0.00 C ATOM 515 O THR A 230 63.367 -2.720 -1.992 1.00 0.00 O ATOM 516 CB THR A 230 64.608 -3.832 -4.973 1.00 0.00 C ATOM 517 OG1 THR A 230 63.287 -4.391 -4.975 1.00 0.00 O ATOM 518 CG2 THR A 230 65.543 -4.821 -5.631 1.00 0.00 C ATOM 0 H THR A 230 64.482 -5.482 -3.184 1.00 0.00 H new ATOM 0 HA THR A 230 66.057 -3.125 -3.475 1.00 0.00 H new ATOM 0 HB THR A 230 64.632 -2.895 -5.529 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.937 -4.399 -5.890 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.209 -5.015 -6.650 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.552 -4.409 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.543 -5.753 -5.066 1.00 0.00 H new ATOM 526 N ASP A 231 64.123 -1.311 -3.579 1.00 0.00 N ATOM 527 CA ASP A 231 63.234 -0.190 -3.256 1.00 0.00 C ATOM 528 C ASP A 231 61.780 -0.532 -3.590 1.00 0.00 C ATOM 529 O ASP A 231 60.853 -0.014 -2.967 1.00 0.00 O ATOM 530 CB ASP A 231 63.657 1.072 -4.028 1.00 0.00 C ATOM 531 CG ASP A 231 63.644 0.882 -5.536 1.00 0.00 C ATOM 532 OD1 ASP A 231 64.665 0.424 -6.098 1.00 0.00 O ATOM 533 OD2 ASP A 231 62.628 1.183 -6.186 1.00 0.00 O ATOM 0 H ASP A 231 64.768 -1.107 -4.343 1.00 0.00 H new ATOM 0 HA ASP A 231 63.312 0.001 -2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.989 1.892 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 231 64.659 1.364 -3.713 1.00 0.00 H new ATOM 538 N GLU A 232 61.595 -1.459 -4.524 1.00 0.00 N ATOM 539 CA GLU A 232 60.267 -1.907 -4.967 1.00 0.00 C ATOM 540 C GLU A 232 59.698 -2.703 -3.837 1.00 0.00 C ATOM 541 O GLU A 232 58.560 -2.563 -3.426 1.00 0.00 O ATOM 542 CB GLU A 232 60.461 -2.846 -6.137 1.00 0.00 C ATOM 543 CG GLU A 232 61.337 -2.298 -7.231 1.00 0.00 C ATOM 544 CD GLU A 232 61.835 -3.391 -8.110 1.00 0.00 C ATOM 545 OE1 GLU A 232 62.822 -4.066 -7.720 1.00 0.00 O ATOM 546 OE2 GLU A 232 61.246 -3.634 -9.173 1.00 0.00 O ATOM 0 H GLU A 232 62.364 -1.928 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 232 59.626 -1.071 -5.247 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.894 -3.777 -5.773 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.485 -3.091 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 232 60.776 -1.576 -7.824 1.00 0.00 H new ATOM 0 HG3 GLU A 232 62.181 -1.764 -6.794 1.00 0.00 H new ATOM 553 N GLN A 233 60.581 -3.478 -3.311 1.00 0.00 N ATOM 554 CA GLN A 233 60.377 -4.350 -2.215 1.00 0.00 C ATOM 555 C GLN A 233 60.077 -3.598 -0.952 1.00 0.00 C ATOM 556 O GLN A 233 59.395 -4.097 -0.058 1.00 0.00 O ATOM 557 CB GLN A 233 61.583 -5.242 -2.065 1.00 0.00 C ATOM 558 CG GLN A 233 61.573 -6.371 -3.048 1.00 0.00 C ATOM 559 CD GLN A 233 62.723 -7.299 -2.899 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.705 -7.110 -3.707 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.693 -8.220 -2.117 1.00 0.00 N flip ATOM 0 H GLN A 233 61.536 -3.519 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 233 59.501 -4.969 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.489 -4.652 -2.201 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.613 -5.644 -1.052 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.646 -6.933 -2.934 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.575 -5.962 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 233 61.894 -8.333 -1.493 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.467 -8.884 -2.081 1.00 0.00 H new ATOM 570 N ARG A 234 60.651 -2.444 -0.842 1.00 0.00 N ATOM 571 CA ARG A 234 60.401 -1.580 0.272 1.00 0.00 C ATOM 572 C ARG A 234 59.030 -0.995 0.142 1.00 0.00 C ATOM 573 O ARG A 234 58.222 -1.069 1.065 1.00 0.00 O ATOM 574 CB ARG A 234 61.468 -0.500 0.337 1.00 0.00 C ATOM 575 CG ARG A 234 62.854 -1.070 0.534 1.00 0.00 C ATOM 576 CD ARG A 234 62.981 -1.678 1.870 1.00 0.00 C ATOM 577 NE ARG A 234 63.362 -3.013 1.652 1.00 0.00 N ATOM 578 CZ ARG A 234 62.479 -3.919 1.486 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.332 -3.891 2.160 1.00 0.00 N ATOM 580 NH2 ARG A 234 62.734 -4.867 0.677 1.00 0.00 N ATOM 0 H ARG A 234 61.310 -2.070 -1.524 1.00 0.00 H new ATOM 0 HA ARG A 234 60.446 -2.144 1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.446 0.084 -0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.240 0.184 1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 234 63.058 -1.818 -0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.597 -0.282 0.415 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.725 -1.153 2.469 1.00 0.00 H new ATOM 0 HD3 ARG A 234 62.038 -1.625 2.414 1.00 0.00 H new ATOM 0 HE ARG A 234 64.351 -3.259 1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 234 61.148 -3.137 2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.637 -4.624 2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 234 63.625 -4.889 0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 234 62.047 -5.605 0.524 1.00 0.00 H new ATOM 594 N ARG A 235 58.751 -0.515 -1.047 1.00 0.00 N ATOM 595 CA ARG A 235 57.497 0.110 -1.378 1.00 0.00 C ATOM 596 C ARG A 235 56.332 -0.826 -1.162 1.00 0.00 C ATOM 597 O ARG A 235 55.393 -0.493 -0.426 1.00 0.00 O ATOM 598 CB ARG A 235 57.543 0.606 -2.822 1.00 0.00 C ATOM 599 CG ARG A 235 56.201 1.086 -3.360 1.00 0.00 C ATOM 600 CD ARG A 235 56.377 1.968 -4.570 1.00 0.00 C ATOM 601 NE ARG A 235 57.000 1.284 -5.713 1.00 0.00 N ATOM 602 CZ ARG A 235 56.424 1.123 -6.914 1.00 0.00 C ATOM 603 NH1 ARG A 235 55.131 1.403 -7.090 1.00 0.00 N ATOM 604 NH2 ARG A 235 57.143 0.673 -7.931 1.00 0.00 N ATOM 0 H ARG A 235 59.407 -0.550 -1.828 1.00 0.00 H new ATOM 0 HA ARG A 235 57.346 0.959 -0.712 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.262 1.422 -2.891 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.911 -0.198 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.584 0.227 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.671 1.635 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.403 2.352 -4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.987 2.829 -4.296 1.00 0.00 H new ATOM 0 HE ARG A 235 57.938 0.905 -5.583 1.00 0.00 H new ATOM 0 HH11 ARG A 235 54.572 1.743 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG A 235 54.702 1.277 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 235 58.130 0.451 -7.799 1.00 0.00 H new ATOM 0 HH22 ARG A 235 56.710 0.549 -8.846 1.00 0.00 H new ATOM 618 N THR A 236 56.453 -2.012 -1.723 1.00 0.00 N ATOM 619 CA THR A 236 55.425 -3.020 -1.714 1.00 0.00 C ATOM 620 C THR A 236 54.940 -3.342 -0.295 1.00 0.00 C ATOM 621 O THR A 236 53.779 -3.642 -0.093 1.00 0.00 O ATOM 622 CB THR A 236 55.919 -4.307 -2.450 1.00 0.00 C ATOM 623 OG1 THR A 236 54.806 -5.126 -2.818 1.00 0.00 O ATOM 624 CG2 THR A 236 56.844 -5.141 -1.575 1.00 0.00 C ATOM 0 H THR A 236 57.299 -2.305 -2.212 1.00 0.00 H new ATOM 0 HA THR A 236 54.566 -2.619 -2.253 1.00 0.00 H new ATOM 0 HB THR A 236 56.464 -3.974 -3.333 1.00 0.00 H new ATOM 0 HG1 THR A 236 55.129 -5.928 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 236 57.164 -6.026 -2.124 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.717 -4.549 -1.300 1.00 0.00 H new ATOM 0 HG23 THR A 236 56.314 -5.446 -0.673 1.00 0.00 H new ATOM 632 N VAL A 237 55.815 -3.195 0.677 1.00 0.00 N ATOM 633 CA VAL A 237 55.500 -3.523 2.024 1.00 0.00 C ATOM 634 C VAL A 237 54.735 -2.410 2.760 1.00 0.00 C ATOM 635 O VAL A 237 53.895 -2.697 3.614 1.00 0.00 O ATOM 636 CB VAL A 237 56.726 -4.075 2.793 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.451 -4.243 4.263 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.091 -5.416 2.202 1.00 0.00 C ATOM 0 H VAL A 237 56.763 -2.843 0.541 1.00 0.00 H new ATOM 0 HA VAL A 237 54.789 -4.348 1.986 1.00 0.00 H new ATOM 0 HB VAL A 237 57.542 -3.359 2.694 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.341 -4.632 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 237 56.188 -3.278 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.625 -4.940 4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.953 -5.824 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.248 -6.100 2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.335 -5.294 1.147 1.00 0.00 H new ATOM 648 N ARG A 238 54.943 -1.149 2.384 1.00 0.00 N ATOM 649 CA ARG A 238 54.197 -0.078 3.065 1.00 0.00 C ATOM 650 C ARG A 238 52.809 -0.125 2.520 1.00 0.00 C ATOM 651 O ARG A 238 51.828 -0.009 3.225 1.00 0.00 O ATOM 652 CB ARG A 238 54.762 1.348 2.855 1.00 0.00 C ATOM 653 CG ARG A 238 56.152 1.630 3.404 1.00 0.00 C ATOM 654 CD ARG A 238 57.206 1.546 2.324 1.00 0.00 C ATOM 655 NE ARG A 238 58.543 1.900 2.820 1.00 0.00 N ATOM 656 CZ ARG A 238 59.574 2.310 2.056 1.00 0.00 C ATOM 657 NH1 ARG A 238 59.415 2.520 0.753 1.00 0.00 N ATOM 658 NH2 ARG A 238 60.746 2.545 2.614 1.00 0.00 N ATOM 0 H ARG A 238 55.585 -0.847 1.651 1.00 0.00 H new ATOM 0 HA ARG A 238 54.262 -0.259 4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 238 54.773 1.553 1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.069 2.057 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.171 2.622 3.855 1.00 0.00 H new ATOM 0 HG3 ARG A 238 56.383 0.916 4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.228 0.534 1.919 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.937 2.212 1.504 1.00 0.00 H new ATOM 0 HE ARG A 238 58.704 1.830 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.504 2.371 0.320 1.00 0.00 H new ATOM 0 HH12 ARG A 238 60.204 2.830 0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.868 2.416 3.618 1.00 0.00 H new ATOM 0 HH22 ARG A 238 61.531 2.856 2.041 1.00 0.00 H new ATOM 672 N VAL A 239 52.767 -0.372 1.257 1.00 0.00 N ATOM 673 CA VAL A 239 51.598 -0.510 0.496 1.00 0.00 C ATOM 674 C VAL A 239 50.769 -1.735 0.987 1.00 0.00 C ATOM 675 O VAL A 239 49.523 -1.722 1.004 1.00 0.00 O ATOM 676 CB VAL A 239 52.076 -0.631 -0.958 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.052 -1.142 -1.851 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.592 0.707 -1.460 1.00 0.00 C ATOM 0 H VAL A 239 53.614 -0.489 0.700 1.00 0.00 H new ATOM 0 HA VAL A 239 50.920 0.337 0.594 1.00 0.00 H new ATOM 0 HB VAL A 239 52.887 -1.359 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.450 -1.205 -2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.743 -2.134 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.192 -0.472 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 239 52.927 0.604 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.793 1.447 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.427 1.031 -0.838 1.00 0.00 H new ATOM 688 N TYR A 240 51.474 -2.742 1.417 1.00 0.00 N ATOM 689 CA TYR A 240 50.906 -3.948 1.981 1.00 0.00 C ATOM 690 C TYR A 240 50.364 -3.694 3.411 1.00 0.00 C ATOM 691 O TYR A 240 49.199 -3.980 3.707 1.00 0.00 O ATOM 692 CB TYR A 240 52.030 -4.996 1.994 1.00 0.00 C ATOM 693 CG TYR A 240 51.752 -6.291 2.687 1.00 0.00 C ATOM 694 CD1 TYR A 240 51.134 -7.335 2.034 1.00 0.00 C ATOM 695 CD2 TYR A 240 52.141 -6.473 3.997 1.00 0.00 C ATOM 696 CE1 TYR A 240 50.905 -8.527 2.678 1.00 0.00 C ATOM 697 CE2 TYR A 240 51.924 -7.650 4.647 1.00 0.00 C ATOM 698 CZ TYR A 240 51.304 -8.681 3.989 1.00 0.00 C ATOM 699 OH TYR A 240 51.078 -9.878 4.641 1.00 0.00 O ATOM 0 H TYR A 240 52.493 -2.753 1.387 1.00 0.00 H new ATOM 0 HA TYR A 240 50.059 -4.293 1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 240 52.297 -5.217 0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.906 -4.545 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 240 50.826 -7.215 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.629 -5.664 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 240 50.415 -9.339 2.160 1.00 0.00 H new ATOM 0 HE2 TYR A 240 52.238 -7.770 5.673 1.00 0.00 H new ATOM 0 HH TYR A 240 51.420 -9.821 5.557 1.00 0.00 H new ATOM 709 N PHE A 241 51.199 -3.137 4.267 1.00 0.00 N ATOM 710 CA PHE A 241 50.859 -2.899 5.668 1.00 0.00 C ATOM 711 C PHE A 241 50.005 -1.660 5.946 1.00 0.00 C ATOM 712 O PHE A 241 48.981 -1.745 6.627 1.00 0.00 O ATOM 713 CB PHE A 241 52.120 -2.806 6.497 1.00 0.00 C ATOM 714 CG PHE A 241 52.746 -4.107 6.881 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.995 -5.130 7.454 1.00 0.00 C ATOM 716 CD2 PHE A 241 54.086 -4.306 6.685 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.596 -6.325 7.815 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.686 -5.493 7.047 1.00 0.00 C ATOM 719 CZ PHE A 241 53.942 -6.498 7.608 1.00 0.00 C ATOM 0 H PHE A 241 52.139 -2.833 4.014 1.00 0.00 H new ATOM 0 HA PHE A 241 50.244 -3.755 5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.854 -2.221 5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.893 -2.251 7.407 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.937 -4.991 7.618 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.681 -3.522 6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 241 52.009 -7.116 8.257 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.745 -5.631 6.888 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.415 -7.428 7.888 1.00 0.00 H new ATOM 729 N LEU A 242 50.413 -0.535 5.457 1.00 0.00 N ATOM 730 CA LEU A 242 49.757 0.709 5.806 1.00 0.00 C ATOM 731 C LEU A 242 48.858 1.238 4.705 1.00 0.00 C ATOM 732 O LEU A 242 47.942 2.040 4.961 1.00 0.00 O ATOM 733 CB LEU A 242 50.759 1.765 6.320 1.00 0.00 C ATOM 734 CG LEU A 242 52.142 1.802 5.660 1.00 0.00 C ATOM 735 CD1 LEU A 242 52.592 3.236 5.494 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.169 1.022 6.517 1.00 0.00 C ATOM 0 H LEU A 242 51.198 -0.438 4.813 1.00 0.00 H new ATOM 0 HA LEU A 242 49.090 0.480 6.637 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.303 2.748 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 242 50.900 1.604 7.389 1.00 0.00 H new ATOM 0 HG LEU A 242 52.076 1.330 4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.575 3.257 5.024 1.00 0.00 H new ATOM 0 HD12 LEU A 242 51.879 3.771 4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 242 52.646 3.716 6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.146 1.057 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.236 1.474 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 242 52.849 -0.016 6.613 1.00 0.00 H new ATOM 748 N GLY A 243 49.097 0.805 3.495 1.00 0.00 N ATOM 749 CA GLY A 243 48.234 1.191 2.420 1.00 0.00 C ATOM 750 C GLY A 243 48.974 1.688 1.208 1.00 0.00 C ATOM 751 O GLY A 243 50.073 2.199 1.328 1.00 0.00 O ATOM 0 H GLY A 243 49.871 0.194 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.617 0.339 2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.558 1.972 2.769 1.00 0.00 H new ATOM 755 N PRO A 244 48.390 1.532 -0.003 1.00 0.00 N ATOM 756 CA PRO A 244 48.979 2.027 -1.257 1.00 0.00 C ATOM 757 C PRO A 244 49.117 3.559 -1.293 1.00 0.00 C ATOM 758 O PRO A 244 49.847 4.108 -2.124 1.00 0.00 O ATOM 759 CB PRO A 244 47.997 1.556 -2.333 1.00 0.00 C ATOM 760 CG PRO A 244 47.241 0.449 -1.710 1.00 0.00 C ATOM 761 CD PRO A 244 47.150 0.787 -0.257 1.00 0.00 C ATOM 0 HA PRO A 244 49.994 1.652 -1.391 1.00 0.00 H new ATOM 0 HB2 PRO A 244 47.332 2.363 -2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 244 48.523 1.220 -3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 244 46.249 0.355 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 244 47.749 -0.504 -1.859 1.00 0.00 H new ATOM 0 HD2 PRO A 244 46.268 1.389 -0.039 1.00 0.00 H new ATOM 0 HD3 PRO A 244 47.086 -0.109 0.361 1.00 0.00 H new ATOM 769 N SER A 245 48.441 4.234 -0.378 1.00 0.00 N ATOM 770 CA SER A 245 48.502 5.680 -0.270 1.00 0.00 C ATOM 771 C SER A 245 49.587 6.054 0.777 1.00 0.00 C ATOM 772 O SER A 245 49.506 7.069 1.468 1.00 0.00 O ATOM 773 CB SER A 245 47.108 6.231 0.126 1.00 0.00 C ATOM 774 OG SER A 245 47.046 7.656 0.040 1.00 0.00 O ATOM 0 H SER A 245 47.833 3.792 0.312 1.00 0.00 H new ATOM 0 HA SER A 245 48.773 6.128 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 245 46.349 5.796 -0.525 1.00 0.00 H new ATOM 0 HB3 SER A 245 46.872 5.920 1.144 1.00 0.00 H new ATOM 0 HG SER A 245 47.816 8.046 0.505 1.00 0.00 H new ATOM 780 N ALA A 246 50.637 5.244 0.834 1.00 0.00 N ATOM 781 CA ALA A 246 51.774 5.444 1.740 1.00 0.00 C ATOM 782 C ALA A 246 52.736 6.505 1.169 1.00 0.00 C ATOM 783 O ALA A 246 53.972 6.364 1.219 1.00 0.00 O ATOM 784 CB ALA A 246 52.494 4.121 1.928 1.00 0.00 C ATOM 0 H ALA A 246 50.729 4.416 0.246 1.00 0.00 H new ATOM 0 HA ALA A 246 51.413 5.801 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 246 53.341 4.260 2.600 1.00 0.00 H new ATOM 0 HB2 ALA A 246 51.807 3.391 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 246 52.852 3.761 0.963 1.00 0.00 H new ATOM 790 N VAL A 247 52.154 7.560 0.673 1.00 0.00 N ATOM 791 CA VAL A 247 52.805 8.664 0.083 1.00 0.00 C ATOM 792 C VAL A 247 51.738 9.746 -0.017 1.00 0.00 C ATOM 793 O VAL A 247 50.547 9.430 -0.233 1.00 0.00 O ATOM 794 CB VAL A 247 53.407 8.311 -1.329 1.00 0.00 C ATOM 795 CG1 VAL A 247 52.336 7.875 -2.327 1.00 0.00 C ATOM 796 CG2 VAL A 247 54.231 9.464 -1.884 1.00 0.00 C ATOM 0 H VAL A 247 51.139 7.665 0.678 1.00 0.00 H new ATOM 0 HA VAL A 247 53.659 8.988 0.678 1.00 0.00 H new ATOM 0 HB VAL A 247 54.070 7.459 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 247 52.803 7.643 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 247 51.825 6.990 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 247 51.614 8.681 -2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 247 54.632 9.188 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 247 53.599 10.346 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 247 55.053 9.685 -1.203 1.00 0.00 H new ATOM 806 N LEU A 248 52.112 10.961 0.242 1.00 0.00 N ATOM 807 CA LEU A 248 51.171 12.069 0.189 1.00 0.00 C ATOM 808 C LEU A 248 50.602 12.294 -1.204 1.00 0.00 C ATOM 809 O LEU A 248 51.332 12.222 -2.206 1.00 0.00 O ATOM 810 CB LEU A 248 51.736 13.364 0.750 1.00 0.00 C ATOM 811 CG LEU A 248 51.993 13.398 2.248 1.00 0.00 C ATOM 812 CD1 LEU A 248 52.376 14.792 2.656 1.00 0.00 C ATOM 813 CD2 LEU A 248 50.767 12.945 3.023 1.00 0.00 C ATOM 0 H LEU A 248 53.064 11.225 0.495 1.00 0.00 H new ATOM 0 HA LEU A 248 50.350 11.766 0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 248 52.674 13.577 0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 248 51.047 14.172 0.503 1.00 0.00 H new ATOM 0 HG LEU A 248 52.808 12.711 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 248 52.561 14.819 3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 248 53.279 15.091 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 248 51.566 15.479 2.410 1.00 0.00 H new ATOM 0 HD21 LEU A 248 50.979 12.979 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 248 49.930 13.606 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 248 50.512 11.925 2.736 1.00 0.00 H new ATOM 825 N PRO A 249 49.297 12.573 -1.293 1.00 0.00 N ATOM 826 CA PRO A 249 48.604 12.734 -2.545 1.00 0.00 C ATOM 827 C PRO A 249 48.362 14.199 -2.906 1.00 0.00 C ATOM 828 O PRO A 249 48.254 15.070 -2.020 1.00 0.00 O ATOM 829 CB PRO A 249 47.247 12.055 -2.233 1.00 0.00 C ATOM 830 CG PRO A 249 47.167 11.976 -0.711 1.00 0.00 C ATOM 831 CD PRO A 249 48.345 12.751 -0.189 1.00 0.00 C ATOM 0 HA PRO A 249 49.161 12.322 -3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 249 46.417 12.633 -2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 249 47.193 11.062 -2.680 1.00 0.00 H new ATOM 0 HG2 PRO A 249 46.231 12.399 -0.348 1.00 0.00 H new ATOM 0 HG3 PRO A 249 47.201 10.940 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 249 48.106 13.800 -0.014 1.00 0.00 H new ATOM 0 HD3 PRO A 249 48.722 12.349 0.751 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 66.152 -7.410 4.065 1.00 0.00 ZN