USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=13 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 180:sc= -0.377 USER MOD Set 1.2: A 233 GLN : amide:sc= -2.37! K(o=-2.8!,f=-0.45) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 THR OG1 : rot 58:sc= 0.392 USER MOD Single : A 207 THR OG1 : rot -15:sc= 0.266 USER MOD Single : A 208 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.4) USER MOD Single : A 213 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 215 HIS : no HD1:sc= -2.4! C(o=-2.4!,f=-2.2!) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 LYS NZ :NH3+ -169:sc= -0.0038 (180deg=-0.119) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl -174:sc= -0.45 (180deg=-0.641) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 223 SER OG : rot 33:sc= 0.928 USER MOD Single : A 228 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.51) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 50.699 -1.184 14.077 1.00 0.00 N ATOM 2 CA PRO A 198 50.823 -0.589 12.733 1.00 0.00 C ATOM 3 C PRO A 198 51.656 0.707 12.703 1.00 0.00 C ATOM 4 O PRO A 198 52.369 0.973 11.734 1.00 0.00 O ATOM 5 CB PRO A 198 49.373 -0.290 12.336 1.00 0.00 C ATOM 6 CG PRO A 198 48.537 -1.065 13.301 1.00 0.00 C ATOM 7 CD PRO A 198 49.326 -1.164 14.556 1.00 0.00 C ATOM 0 HA PRO A 198 51.346 -1.265 12.057 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.159 0.777 12.398 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.175 -0.596 11.309 1.00 0.00 H new ATOM 0 HG2 PRO A 198 47.585 -0.564 13.479 1.00 0.00 H new ATOM 0 HG3 PRO A 198 48.307 -2.055 12.908 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.141 -0.317 15.217 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.081 -2.066 15.117 1.00 0.00 H new ATOM 15 N GLU A 199 51.589 1.480 13.766 1.00 0.00 N ATOM 16 CA GLU A 199 52.295 2.766 13.833 1.00 0.00 C ATOM 17 C GLU A 199 53.805 2.581 13.896 1.00 0.00 C ATOM 18 O GLU A 199 54.548 3.138 13.088 1.00 0.00 O ATOM 19 CB GLU A 199 51.813 3.621 15.007 1.00 0.00 C ATOM 20 CG GLU A 199 50.433 4.248 14.834 1.00 0.00 C ATOM 21 CD GLU A 199 49.334 3.249 14.611 1.00 0.00 C ATOM 22 OE1 GLU A 199 49.018 2.479 15.551 1.00 0.00 O ATOM 23 OE2 GLU A 199 48.784 3.204 13.486 1.00 0.00 O ATOM 0 H GLU A 199 51.054 1.250 14.604 1.00 0.00 H new ATOM 0 HA GLU A 199 52.058 3.296 12.911 1.00 0.00 H new ATOM 0 HB2 GLU A 199 51.803 3.003 15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.537 4.418 15.176 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.199 4.839 15.720 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.461 4.937 13.990 1.00 0.00 H new ATOM 30 N GLU A 200 54.256 1.781 14.830 1.00 0.00 N ATOM 31 CA GLU A 200 55.624 1.490 14.985 1.00 0.00 C ATOM 32 C GLU A 200 56.145 0.647 13.856 1.00 0.00 C ATOM 33 O GLU A 200 57.327 0.684 13.529 1.00 0.00 O ATOM 34 CB GLU A 200 55.892 0.873 16.322 1.00 0.00 C ATOM 35 CG GLU A 200 54.946 -0.225 16.805 1.00 0.00 C ATOM 36 CD GLU A 200 53.677 0.313 17.442 1.00 0.00 C ATOM 37 OE1 GLU A 200 52.728 0.641 16.715 1.00 0.00 O ATOM 38 OE2 GLU A 200 53.612 0.376 18.683 1.00 0.00 O ATOM 0 H GLU A 200 53.654 1.314 15.508 1.00 0.00 H new ATOM 0 HA GLU A 200 56.172 2.431 14.946 1.00 0.00 H new ATOM 0 HB2 GLU A 200 56.901 0.461 16.304 1.00 0.00 H new ATOM 0 HB3 GLU A 200 55.886 1.670 17.065 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.679 -0.862 15.962 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.468 -0.853 17.526 1.00 0.00 H new ATOM 45 N LEU A 201 55.275 -0.123 13.295 1.00 0.00 N ATOM 46 CA LEU A 201 55.545 -0.827 12.071 1.00 0.00 C ATOM 47 C LEU A 201 55.886 0.155 10.953 1.00 0.00 C ATOM 48 O LEU A 201 56.835 -0.027 10.227 1.00 0.00 O ATOM 49 CB LEU A 201 54.357 -1.693 11.685 1.00 0.00 C ATOM 50 CG LEU A 201 54.302 -2.104 10.242 1.00 0.00 C ATOM 51 CD1 LEU A 201 53.790 -3.492 10.128 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.393 -1.176 9.461 1.00 0.00 C ATOM 0 H LEU A 201 54.342 -0.288 13.672 1.00 0.00 H new ATOM 0 HA LEU A 201 56.406 -1.477 12.227 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.369 -2.592 12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.442 -1.153 11.927 1.00 0.00 H new ATOM 0 HG LEU A 201 55.311 -2.049 9.832 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.754 -3.781 9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.451 -4.169 10.668 1.00 0.00 H new ATOM 0 HD13 LEU A 201 52.788 -3.546 10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.365 -1.488 8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.387 -1.215 9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.773 -0.156 9.525 1.00 0.00 H new ATOM 64 N ARG A 202 55.081 1.168 10.812 1.00 0.00 N ATOM 65 CA ARG A 202 55.316 2.197 9.866 1.00 0.00 C ATOM 66 C ARG A 202 56.632 2.896 10.181 1.00 0.00 C ATOM 67 O ARG A 202 57.398 3.222 9.278 1.00 0.00 O ATOM 68 CB ARG A 202 54.160 3.170 9.874 1.00 0.00 C ATOM 69 CG ARG A 202 54.432 4.371 9.054 1.00 0.00 C ATOM 70 CD ARG A 202 53.265 5.305 9.022 1.00 0.00 C ATOM 71 NE ARG A 202 53.527 6.482 8.186 1.00 0.00 N ATOM 72 CZ ARG A 202 52.915 7.658 8.315 1.00 0.00 C ATOM 73 NH1 ARG A 202 52.066 7.845 9.309 1.00 0.00 N ATOM 74 NH2 ARG A 202 53.179 8.650 7.464 1.00 0.00 N ATOM 0 H ARG A 202 54.233 1.296 11.364 1.00 0.00 H new ATOM 0 HA ARG A 202 55.392 1.769 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.266 2.672 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.950 3.473 10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 202 55.302 4.892 9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.681 4.067 8.037 1.00 0.00 H new ATOM 0 HD2 ARG A 202 52.389 4.778 8.643 1.00 0.00 H new ATOM 0 HD3 ARG A 202 53.029 5.626 10.037 1.00 0.00 H new ATOM 0 HE ARG A 202 54.230 6.393 7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 202 51.883 7.092 9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 202 51.594 8.743 9.414 1.00 0.00 H new ATOM 0 HH21 ARG A 202 53.852 8.510 6.710 1.00 0.00 H new ATOM 0 HH22 ARG A 202 52.708 9.549 7.567 1.00 0.00 H new ATOM 88 N SER A 203 56.896 3.065 11.470 1.00 0.00 N ATOM 89 CA SER A 203 58.150 3.649 11.937 1.00 0.00 C ATOM 90 C SER A 203 59.333 2.721 11.567 1.00 0.00 C ATOM 91 O SER A 203 60.477 3.173 11.431 1.00 0.00 O ATOM 92 CB SER A 203 58.092 3.907 13.461 1.00 0.00 C ATOM 93 OG SER A 203 59.270 4.558 13.945 1.00 0.00 O ATOM 0 H SER A 203 56.253 2.804 12.218 1.00 0.00 H new ATOM 0 HA SER A 203 58.303 4.610 11.445 1.00 0.00 H new ATOM 0 HB2 SER A 203 57.220 4.520 13.691 1.00 0.00 H new ATOM 0 HB3 SER A 203 57.962 2.959 13.983 1.00 0.00 H new ATOM 0 HG SER A 203 59.190 4.703 14.911 1.00 0.00 H new ATOM 99 N LEU A 204 59.045 1.426 11.418 1.00 0.00 N ATOM 100 CA LEU A 204 60.008 0.466 10.954 1.00 0.00 C ATOM 101 C LEU A 204 60.297 0.784 9.513 1.00 0.00 C ATOM 102 O LEU A 204 61.416 1.082 9.164 1.00 0.00 O ATOM 103 CB LEU A 204 59.456 -0.977 11.098 1.00 0.00 C ATOM 104 CG LEU A 204 60.412 -2.132 10.738 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.069 -3.344 11.533 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.337 -2.492 9.248 1.00 0.00 C ATOM 0 H LEU A 204 58.128 1.027 11.621 1.00 0.00 H new ATOM 0 HA LEU A 204 60.920 0.521 11.548 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.132 -1.114 12.130 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.568 -1.064 10.471 1.00 0.00 H new ATOM 0 HG LEU A 204 61.423 -1.796 10.967 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.749 -4.155 11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.162 -3.120 12.596 1.00 0.00 H new ATOM 0 HD13 LEU A 204 59.045 -3.645 11.314 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.026 -3.310 9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.321 -2.799 8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.611 -1.623 8.650 1.00 0.00 H new ATOM 118 N LEU A 205 59.244 0.825 8.703 1.00 0.00 N ATOM 119 CA LEU A 205 59.335 1.092 7.252 1.00 0.00 C ATOM 120 C LEU A 205 59.871 2.490 6.895 1.00 0.00 C ATOM 121 O LEU A 205 59.904 2.865 5.721 1.00 0.00 O ATOM 122 CB LEU A 205 58.006 0.807 6.519 1.00 0.00 C ATOM 123 CG LEU A 205 57.658 -0.671 6.222 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.767 -1.337 5.432 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.369 -1.441 7.480 1.00 0.00 C ATOM 0 H LEU A 205 58.289 0.674 9.028 1.00 0.00 H new ATOM 0 HA LEU A 205 60.083 0.384 6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.196 1.231 7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.022 1.346 5.572 1.00 0.00 H new ATOM 0 HG LEU A 205 56.750 -0.675 5.619 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.500 -2.375 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.906 -0.812 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.693 -1.303 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.129 -2.474 7.227 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.245 -1.420 8.129 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.523 -0.988 7.997 1.00 0.00 H new ATOM 137 N THR A 206 60.220 3.253 7.895 1.00 0.00 N ATOM 138 CA THR A 206 60.868 4.496 7.735 1.00 0.00 C ATOM 139 C THR A 206 62.386 4.272 7.478 1.00 0.00 C ATOM 140 O THR A 206 63.014 5.009 6.719 1.00 0.00 O ATOM 141 CB THR A 206 60.671 5.313 9.024 1.00 0.00 C ATOM 142 OG1 THR A 206 59.274 5.461 9.291 1.00 0.00 O ATOM 143 CG2 THR A 206 61.301 6.670 8.919 1.00 0.00 C ATOM 0 H THR A 206 60.049 3.005 8.869 1.00 0.00 H new ATOM 0 HA THR A 206 60.447 5.031 6.884 1.00 0.00 H new ATOM 0 HB THR A 206 61.155 4.774 9.838 1.00 0.00 H new ATOM 0 HG1 THR A 206 58.861 4.576 9.375 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.142 7.218 9.848 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.371 6.562 8.741 1.00 0.00 H new ATOM 0 HG23 THR A 206 60.849 7.218 8.092 1.00 0.00 H new ATOM 151 N THR A 207 62.968 3.250 8.106 1.00 0.00 N ATOM 152 CA THR A 207 64.393 3.012 7.964 1.00 0.00 C ATOM 153 C THR A 207 64.738 1.513 7.879 1.00 0.00 C ATOM 154 O THR A 207 65.848 1.149 7.526 1.00 0.00 O ATOM 155 CB THR A 207 65.196 3.689 9.127 1.00 0.00 C ATOM 156 OG1 THR A 207 66.605 3.457 8.972 1.00 0.00 O ATOM 157 CG2 THR A 207 64.745 3.175 10.495 1.00 0.00 C ATOM 0 H THR A 207 62.479 2.587 8.707 1.00 0.00 H new ATOM 0 HA THR A 207 64.689 3.466 7.018 1.00 0.00 H new ATOM 0 HB THR A 207 64.996 4.759 9.076 1.00 0.00 H new ATOM 0 HG1 THR A 207 66.748 2.732 8.328 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.324 3.666 11.277 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.686 3.394 10.635 1.00 0.00 H new ATOM 0 HG23 THR A 207 64.903 2.098 10.549 1.00 0.00 H new ATOM 165 N GLN A 208 63.814 0.670 8.211 1.00 0.00 N ATOM 166 CA GLN A 208 64.042 -0.732 8.227 1.00 0.00 C ATOM 167 C GLN A 208 63.474 -1.362 6.991 1.00 0.00 C ATOM 168 O GLN A 208 62.403 -0.990 6.539 1.00 0.00 O ATOM 169 CB GLN A 208 63.473 -1.347 9.499 1.00 0.00 C ATOM 170 CG GLN A 208 64.212 -0.933 10.746 1.00 0.00 C ATOM 171 CD GLN A 208 63.743 -1.676 11.970 1.00 0.00 C ATOM 172 OE1 GLN A 208 62.852 -1.225 12.680 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.305 -2.827 12.209 1.00 0.00 N ATOM 0 H GLN A 208 62.869 0.943 8.481 1.00 0.00 H new ATOM 0 HA GLN A 208 65.115 -0.924 8.228 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.425 -1.062 9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.501 -2.433 9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.279 -1.107 10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 208 64.081 0.138 10.903 1.00 0.00 H new ATOM 0 HE21 GLN A 208 65.044 -3.171 11.596 1.00 0.00 H new ATOM 0 HE22 GLN A 208 64.006 -3.384 13.009 1.00 0.00 H new ATOM 182 N CYS A 209 64.252 -2.300 6.464 1.00 0.00 N ATOM 183 CA CYS A 209 64.049 -3.053 5.234 1.00 0.00 C ATOM 184 C CYS A 209 62.593 -3.365 5.035 1.00 0.00 C ATOM 185 O CYS A 209 62.052 -3.089 3.979 1.00 0.00 O ATOM 186 CB CYS A 209 64.903 -4.353 5.299 1.00 0.00 C ATOM 187 SG CYS A 209 65.385 -5.071 3.703 1.00 0.00 S ATOM 0 H CYS A 209 65.117 -2.577 6.928 1.00 0.00 H new ATOM 0 HA CYS A 209 64.368 -2.457 4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.809 -4.141 5.867 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.344 -5.103 5.858 1.00 0.00 H new ATOM 192 N GLY A 210 62.025 -4.059 6.007 1.00 0.00 N ATOM 193 CA GLY A 210 60.615 -4.292 6.125 1.00 0.00 C ATOM 194 C GLY A 210 60.082 -5.212 5.105 1.00 0.00 C ATOM 195 O GLY A 210 58.964 -5.593 5.145 1.00 0.00 O ATOM 0 H GLY A 210 62.564 -4.488 6.759 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.404 -4.698 7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.090 -3.339 6.053 1.00 0.00 H new ATOM 199 N VAL A 211 60.905 -5.616 4.229 1.00 0.00 N ATOM 200 CA VAL A 211 60.482 -6.444 3.183 1.00 0.00 C ATOM 201 C VAL A 211 60.313 -7.883 3.620 1.00 0.00 C ATOM 202 O VAL A 211 61.265 -8.515 4.066 1.00 0.00 O ATOM 203 CB VAL A 211 61.461 -6.276 2.072 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.868 -6.445 2.494 1.00 0.00 C ATOM 205 CG2 VAL A 211 61.092 -6.977 0.801 1.00 0.00 C ATOM 0 H VAL A 211 61.897 -5.381 4.216 1.00 0.00 H new ATOM 0 HA VAL A 211 59.488 -6.155 2.842 1.00 0.00 H new ATOM 0 HB VAL A 211 61.388 -5.224 1.796 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.524 -6.309 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.111 -5.705 3.257 1.00 0.00 H new ATOM 0 HG13 VAL A 211 63.008 -7.446 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.862 -6.798 0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 211 61.008 -8.048 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.137 -6.596 0.439 1.00 0.00 H new ATOM 215 N ILE A 212 59.090 -8.356 3.547 1.00 0.00 N ATOM 216 CA ILE A 212 58.751 -9.702 3.955 1.00 0.00 C ATOM 217 C ILE A 212 59.576 -10.704 3.173 1.00 0.00 C ATOM 218 O ILE A 212 59.556 -10.708 1.939 1.00 0.00 O ATOM 219 CB ILE A 212 57.231 -10.001 3.784 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.401 -8.991 4.599 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.911 -11.434 4.231 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.898 -9.157 4.468 1.00 0.00 C ATOM 0 H ILE A 212 58.297 -7.815 3.201 1.00 0.00 H new ATOM 0 HA ILE A 212 58.981 -9.792 5.017 1.00 0.00 H new ATOM 0 HB ILE A 212 56.972 -9.903 2.730 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.673 -9.082 5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.671 -7.982 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.845 -11.625 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 212 57.480 -12.140 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 212 57.180 -11.556 5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.395 -8.405 5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.608 -9.035 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.611 -10.151 4.810 1.00 0.00 H new ATOM 234 N SER A 213 60.359 -11.469 3.901 1.00 0.00 N ATOM 235 CA SER A 213 61.189 -12.489 3.368 1.00 0.00 C ATOM 236 C SER A 213 60.382 -13.441 2.487 1.00 0.00 C ATOM 237 O SER A 213 59.422 -14.074 2.951 1.00 0.00 O ATOM 238 CB SER A 213 61.778 -13.220 4.541 1.00 0.00 C ATOM 239 OG SER A 213 62.471 -12.317 5.379 1.00 0.00 O ATOM 0 H SER A 213 60.427 -11.383 4.915 1.00 0.00 H new ATOM 0 HA SER A 213 61.972 -12.065 2.739 1.00 0.00 H new ATOM 0 HB2 SER A 213 60.988 -13.717 5.104 1.00 0.00 H new ATOM 0 HB3 SER A 213 62.457 -13.997 4.191 1.00 0.00 H new ATOM 0 HG SER A 213 62.850 -12.803 6.141 1.00 0.00 H new ATOM 245 N GLU A 214 60.792 -13.554 1.237 1.00 0.00 N ATOM 246 CA GLU A 214 60.105 -14.361 0.241 1.00 0.00 C ATOM 247 C GLU A 214 60.348 -15.858 0.406 1.00 0.00 C ATOM 248 O GLU A 214 59.911 -16.658 -0.407 1.00 0.00 O ATOM 249 CB GLU A 214 60.450 -13.871 -1.151 1.00 0.00 C ATOM 250 CG GLU A 214 59.813 -12.532 -1.486 1.00 0.00 C ATOM 251 CD GLU A 214 58.326 -12.656 -1.756 1.00 0.00 C ATOM 252 OE1 GLU A 214 57.507 -12.631 -0.810 1.00 0.00 O ATOM 253 OE2 GLU A 214 57.942 -12.813 -2.948 1.00 0.00 O ATOM 0 H GLU A 214 61.622 -13.082 0.879 1.00 0.00 H new ATOM 0 HA GLU A 214 59.034 -14.233 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 214 61.533 -13.784 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 214 60.128 -14.613 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 214 59.974 -11.839 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 214 60.305 -12.106 -2.361 1.00 0.00 H new ATOM 260 N HIS A 215 61.039 -16.228 1.462 1.00 0.00 N ATOM 261 CA HIS A 215 61.175 -17.634 1.843 1.00 0.00 C ATOM 262 C HIS A 215 60.199 -17.912 2.990 1.00 0.00 C ATOM 263 O HIS A 215 60.191 -18.995 3.586 1.00 0.00 O ATOM 264 CB HIS A 215 62.625 -17.995 2.258 1.00 0.00 C ATOM 265 CG HIS A 215 63.149 -17.239 3.444 1.00 0.00 C ATOM 266 ND1 HIS A 215 63.204 -17.801 4.703 1.00 0.00 N ATOM 267 CD2 HIS A 215 63.625 -15.993 3.497 1.00 0.00 C ATOM 268 CE1 HIS A 215 63.716 -16.865 5.486 1.00 0.00 C ATOM 269 NE2 HIS A 215 63.985 -15.757 4.799 1.00 0.00 N ATOM 0 H HIS A 215 61.522 -15.577 2.081 1.00 0.00 H new ATOM 0 HA HIS A 215 60.941 -18.258 0.980 1.00 0.00 H new ATOM 0 HB2 HIS A 215 62.670 -19.062 2.477 1.00 0.00 H new ATOM 0 HB3 HIS A 215 63.286 -17.815 1.410 1.00 0.00 H new ATOM 0 HD2 HIS A 215 63.710 -15.302 2.671 1.00 0.00 H new ATOM 0 HE1 HIS A 215 63.893 -16.985 6.545 1.00 0.00 H new ATOM 0 HE2 HIS A 215 64.384 -14.895 5.171 1.00 0.00 H new ATOM 277 N THR A 216 59.378 -16.893 3.264 1.00 0.00 N ATOM 278 CA THR A 216 58.379 -16.881 4.310 1.00 0.00 C ATOM 279 C THR A 216 58.995 -16.728 5.705 1.00 0.00 C ATOM 280 O THR A 216 59.493 -17.686 6.299 1.00 0.00 O ATOM 281 CB THR A 216 57.442 -18.103 4.256 1.00 0.00 C ATOM 282 OG1 THR A 216 56.885 -18.207 2.944 1.00 0.00 O ATOM 283 CG2 THR A 216 56.312 -17.956 5.259 1.00 0.00 C ATOM 0 H THR A 216 59.401 -16.022 2.734 1.00 0.00 H new ATOM 0 HA THR A 216 57.769 -15.998 4.119 1.00 0.00 H new ATOM 0 HB THR A 216 58.017 -18.996 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 216 56.289 -18.984 2.902 1.00 0.00 H new ATOM 0 HG21 THR A 216 55.662 -18.829 5.205 1.00 0.00 H new ATOM 0 HG22 THR A 216 56.726 -17.873 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 216 55.736 -17.060 5.029 1.00 0.00 H new ATOM 291 N LYS A 217 59.004 -15.512 6.193 1.00 0.00 N ATOM 292 CA LYS A 217 59.414 -15.248 7.528 1.00 0.00 C ATOM 293 C LYS A 217 58.487 -14.185 8.099 1.00 0.00 C ATOM 294 O LYS A 217 57.450 -14.509 8.653 1.00 0.00 O ATOM 295 CB LYS A 217 60.887 -14.809 7.607 1.00 0.00 C ATOM 296 CG LYS A 217 61.374 -14.669 9.018 1.00 0.00 C ATOM 297 CD LYS A 217 62.808 -14.200 9.074 1.00 0.00 C ATOM 298 CE LYS A 217 63.311 -14.148 10.505 1.00 0.00 C ATOM 299 NZ LYS A 217 62.537 -13.213 11.349 1.00 0.00 N ATOM 0 H LYS A 217 58.725 -14.684 5.666 1.00 0.00 H new ATOM 0 HA LYS A 217 59.346 -16.163 8.116 1.00 0.00 H new ATOM 0 HB2 LYS A 217 61.507 -15.536 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 217 61.006 -13.857 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 217 60.740 -13.962 9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 217 61.285 -15.627 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 217 63.436 -14.871 8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 217 62.889 -13.212 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 217 63.263 -15.147 10.939 1.00 0.00 H new ATOM 0 HE3 LYS A 217 64.359 -13.849 10.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 63.029 -13.074 12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 62.446 -12.299 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 61.591 -13.607 11.526 1.00 0.00 H new ATOM 313 N LYS A 218 58.831 -12.934 7.848 1.00 0.00 N ATOM 314 CA LYS A 218 58.116 -11.734 8.259 1.00 0.00 C ATOM 315 C LYS A 218 58.823 -10.585 7.598 1.00 0.00 C ATOM 316 O LYS A 218 59.682 -10.827 6.725 1.00 0.00 O ATOM 317 CB LYS A 218 58.101 -11.529 9.802 1.00 0.00 C ATOM 318 CG LYS A 218 56.978 -12.254 10.529 1.00 0.00 C ATOM 319 CD LYS A 218 56.990 -11.982 12.015 1.00 0.00 C ATOM 320 CE LYS A 218 55.785 -12.620 12.684 1.00 0.00 C ATOM 321 NZ LYS A 218 55.757 -12.380 14.139 1.00 0.00 N ATOM 0 H LYS A 218 59.673 -12.713 7.316 1.00 0.00 H new ATOM 0 HA LYS A 218 57.070 -11.814 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 218 59.055 -11.865 10.209 1.00 0.00 H new ATOM 0 HB3 LYS A 218 58.022 -10.462 10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 218 56.019 -11.945 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 218 57.069 -13.326 10.357 1.00 0.00 H new ATOM 0 HD2 LYS A 218 57.907 -12.374 12.455 1.00 0.00 H new ATOM 0 HD3 LYS A 218 56.985 -10.907 12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 218 54.873 -12.226 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 218 55.794 -13.694 12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 54.917 -12.835 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 56.614 -12.779 14.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 55.721 -11.357 14.321 1.00 0.00 H new ATOM 335 N MET A 219 58.467 -9.369 7.962 1.00 0.00 N ATOM 336 CA MET A 219 59.140 -8.182 7.462 1.00 0.00 C ATOM 337 C MET A 219 60.602 -8.216 7.772 1.00 0.00 C ATOM 338 O MET A 219 61.020 -8.713 8.813 1.00 0.00 O ATOM 339 CB MET A 219 58.554 -6.915 8.027 1.00 0.00 C ATOM 340 CG MET A 219 57.269 -6.498 7.423 1.00 0.00 C ATOM 341 SD MET A 219 56.922 -4.767 7.751 1.00 0.00 S ATOM 342 CE MET A 219 57.086 -4.725 9.510 1.00 0.00 C ATOM 0 H MET A 219 57.705 -9.174 8.611 1.00 0.00 H new ATOM 0 HA MET A 219 58.993 -8.184 6.382 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.409 -7.046 9.099 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.277 -6.109 7.899 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.299 -6.667 6.347 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.462 -7.114 7.820 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.796 -3.741 9.879 1.00 0.00 H new ATOM 0 HE2 MET A 219 56.441 -5.483 9.954 1.00 0.00 H new ATOM 0 HE3 MET A 219 58.122 -4.924 9.784 1.00 0.00 H new ATOM 352 N CYS A 220 61.383 -7.684 6.885 1.00 0.00 N ATOM 353 CA CYS A 220 62.793 -7.754 7.055 1.00 0.00 C ATOM 354 C CYS A 220 63.293 -6.700 8.044 1.00 0.00 C ATOM 355 O CYS A 220 62.873 -5.564 7.997 1.00 0.00 O ATOM 356 CB CYS A 220 63.440 -7.610 5.745 1.00 0.00 C ATOM 357 SG CYS A 220 65.115 -8.057 5.777 1.00 0.00 S ATOM 0 H CYS A 220 61.068 -7.201 6.044 1.00 0.00 H new ATOM 0 HA CYS A 220 63.053 -8.724 7.479 1.00 0.00 H new ATOM 0 HB2 CYS A 220 62.917 -8.228 5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.350 -6.576 5.411 1.00 0.00 H new ATOM 362 N THR A 221 64.237 -7.060 8.863 1.00 0.00 N ATOM 363 CA THR A 221 64.618 -6.224 9.973 1.00 0.00 C ATOM 364 C THR A 221 65.842 -5.297 9.792 1.00 0.00 C ATOM 365 O THR A 221 65.885 -4.237 10.421 1.00 0.00 O ATOM 366 CB THR A 221 64.651 -7.046 11.248 1.00 0.00 C ATOM 367 OG1 THR A 221 65.160 -8.366 10.929 1.00 0.00 O ATOM 368 CG2 THR A 221 63.241 -7.162 11.776 1.00 0.00 C ATOM 0 H THR A 221 64.762 -7.931 8.786 1.00 0.00 H new ATOM 0 HA THR A 221 63.830 -5.474 10.041 1.00 0.00 H new ATOM 0 HB THR A 221 65.288 -6.576 11.997 1.00 0.00 H new ATOM 0 HG1 THR A 221 65.190 -8.911 11.743 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.243 -7.750 12.694 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.847 -6.167 11.984 1.00 0.00 H new ATOM 0 HG23 THR A 221 62.613 -7.653 11.032 1.00 0.00 H new ATOM 376 N ARG A 222 66.835 -5.659 8.947 1.00 0.00 N ATOM 377 CA ARG A 222 67.929 -4.706 8.670 1.00 0.00 C ATOM 378 C ARG A 222 67.410 -3.481 7.912 1.00 0.00 C ATOM 379 O ARG A 222 66.245 -3.388 7.673 1.00 0.00 O ATOM 380 CB ARG A 222 69.144 -5.326 7.951 1.00 0.00 C ATOM 381 CG ARG A 222 70.031 -6.176 8.844 1.00 0.00 C ATOM 382 CD ARG A 222 71.413 -6.412 8.233 1.00 0.00 C ATOM 383 NE ARG A 222 71.398 -7.277 7.041 1.00 0.00 N ATOM 384 CZ ARG A 222 72.227 -7.151 5.988 1.00 0.00 C ATOM 385 NH1 ARG A 222 72.977 -6.062 5.855 1.00 0.00 N ATOM 386 NH2 ARG A 222 72.281 -8.104 5.063 1.00 0.00 N ATOM 0 H ARG A 222 66.901 -6.557 8.468 1.00 0.00 H new ATOM 0 HA ARG A 222 68.297 -4.394 9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.788 -5.939 7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.744 -4.525 7.519 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.143 -5.688 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.547 -7.136 9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 222 71.851 -5.450 7.966 1.00 0.00 H new ATOM 0 HD3 ARG A 222 72.061 -6.859 8.987 1.00 0.00 H new ATOM 0 HE ARG A 222 70.708 -8.028 7.011 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.925 -5.319 6.552 1.00 0.00 H new ATOM 0 HH12 ARG A 222 73.604 -5.969 5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 222 71.693 -8.933 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 222 72.910 -8.006 4.266 1.00 0.00 H new ATOM 400 N SER A 223 68.264 -2.571 7.521 1.00 0.00 N ATOM 401 CA SER A 223 67.833 -1.348 6.835 1.00 0.00 C ATOM 402 C SER A 223 67.416 -1.673 5.368 1.00 0.00 C ATOM 403 O SER A 223 67.494 -2.849 4.930 1.00 0.00 O ATOM 404 CB SER A 223 68.977 -0.319 6.892 1.00 0.00 C ATOM 405 OG SER A 223 68.526 0.979 6.575 1.00 0.00 O ATOM 0 H SER A 223 69.272 -2.641 7.660 1.00 0.00 H new ATOM 0 HA SER A 223 66.960 -0.924 7.330 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.417 -0.318 7.889 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.764 -0.611 6.197 1.00 0.00 H new ATOM 0 HG SER A 223 67.602 1.088 6.882 1.00 0.00 H new ATOM 411 N LEU A 224 66.989 -0.677 4.574 1.00 0.00 N ATOM 412 CA LEU A 224 66.598 -0.954 3.177 1.00 0.00 C ATOM 413 C LEU A 224 67.899 -1.100 2.334 1.00 0.00 C ATOM 414 O LEU A 224 67.881 -1.164 1.132 1.00 0.00 O ATOM 415 CB LEU A 224 65.790 0.168 2.541 1.00 0.00 C ATOM 416 CG LEU A 224 64.942 1.039 3.455 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.406 2.160 2.676 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.786 0.259 4.008 1.00 0.00 C ATOM 0 H LEU A 224 66.906 0.298 4.861 1.00 0.00 H new ATOM 0 HA LEU A 224 65.982 -1.853 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.483 0.818 2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.131 -0.276 1.795 1.00 0.00 H new ATOM 0 HG LEU A 224 65.565 1.392 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 224 63.796 2.792 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.229 2.746 2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 224 63.794 1.776 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.192 0.901 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.164 -0.101 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 224 64.160 -0.591 4.579 1.00 0.00 H new ATOM 430 N ARG A 225 69.004 -1.122 2.999 1.00 0.00 N ATOM 431 CA ARG A 225 70.281 -1.348 2.410 1.00 0.00 C ATOM 432 C ARG A 225 70.612 -2.843 2.483 1.00 0.00 C ATOM 433 O ARG A 225 71.499 -3.326 1.803 1.00 0.00 O ATOM 434 CB ARG A 225 71.275 -0.592 3.248 1.00 0.00 C ATOM 435 CG ARG A 225 72.658 -0.569 2.720 1.00 0.00 C ATOM 436 CD ARG A 225 72.770 0.278 1.458 1.00 0.00 C ATOM 437 NE ARG A 225 72.291 1.651 1.666 1.00 0.00 N ATOM 438 CZ ARG A 225 72.372 2.653 0.784 1.00 0.00 C ATOM 439 NH1 ARG A 225 72.981 2.484 -0.388 1.00 0.00 N ATOM 440 NH2 ARG A 225 71.846 3.834 1.095 1.00 0.00 N ATOM 0 H ARG A 225 69.044 -0.977 4.008 1.00 0.00 H new ATOM 0 HA ARG A 225 70.301 -1.027 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.928 0.435 3.356 1.00 0.00 H new ATOM 0 HB3 ARG A 225 71.292 -1.030 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 225 73.331 -0.176 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 225 72.981 -1.587 2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 225 73.809 0.303 1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.195 -0.188 0.658 1.00 0.00 H new ATOM 0 HE ARG A 225 71.857 1.859 2.565 1.00 0.00 H new ATOM 0 HH11 ARG A 225 73.393 1.581 -0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 225 73.035 3.257 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 225 71.388 3.967 1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 225 71.901 4.607 0.432 1.00 0.00 H new ATOM 454 N CYS A 226 69.831 -3.557 3.293 1.00 0.00 N ATOM 455 CA CYS A 226 70.051 -4.950 3.646 1.00 0.00 C ATOM 456 C CYS A 226 70.662 -5.943 2.569 1.00 0.00 C ATOM 457 O CYS A 226 71.833 -6.272 2.674 1.00 0.00 O ATOM 458 CB CYS A 226 68.785 -5.449 4.328 1.00 0.00 C ATOM 459 SG CYS A 226 68.418 -7.181 4.259 1.00 0.00 S ATOM 0 H CYS A 226 69.000 -3.163 3.734 1.00 0.00 H new ATOM 0 HA CYS A 226 70.906 -4.957 4.322 1.00 0.00 H new ATOM 0 HB2 CYS A 226 68.839 -5.163 5.378 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.941 -4.913 3.894 1.00 0.00 H new ATOM 464 N PRO A 227 69.907 -6.431 1.552 1.00 0.00 N ATOM 465 CA PRO A 227 70.324 -7.561 0.715 1.00 0.00 C ATOM 466 C PRO A 227 70.157 -7.303 -0.835 1.00 0.00 C ATOM 467 O PRO A 227 70.636 -6.313 -1.366 1.00 0.00 O ATOM 468 CB PRO A 227 69.192 -8.454 1.196 1.00 0.00 C ATOM 469 CG PRO A 227 68.019 -7.483 1.247 1.00 0.00 C ATOM 470 CD PRO A 227 68.591 -6.094 1.171 1.00 0.00 C ATOM 0 HA PRO A 227 71.363 -7.878 0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.007 -9.282 0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.403 -8.890 2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.334 -7.663 0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.449 -7.615 2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.530 -5.658 0.174 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.111 -5.394 1.855 1.00 0.00 H new ATOM 478 N GLN A 228 69.397 -8.195 -1.508 1.00 0.00 N ATOM 479 CA GLN A 228 69.144 -8.122 -2.919 1.00 0.00 C ATOM 480 C GLN A 228 67.688 -7.690 -3.068 1.00 0.00 C ATOM 481 O GLN A 228 67.136 -7.618 -4.173 1.00 0.00 O ATOM 482 CB GLN A 228 69.374 -9.503 -3.561 1.00 0.00 C ATOM 483 CG GLN A 228 69.334 -9.507 -5.087 1.00 0.00 C ATOM 484 CD GLN A 228 70.446 -8.686 -5.724 1.00 0.00 C ATOM 485 OE1 GLN A 228 71.547 -8.569 -5.186 1.00 0.00 O ATOM 486 NE2 GLN A 228 70.179 -8.124 -6.865 1.00 0.00 N ATOM 0 H GLN A 228 68.946 -8.990 -1.056 1.00 0.00 H new ATOM 0 HA GLN A 228 69.811 -7.417 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.341 -9.885 -3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.617 -10.193 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 228 69.403 -10.535 -5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 228 68.371 -9.119 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 228 69.257 -8.239 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 228 70.891 -7.568 -7.339 1.00 0.00 H new ATOM 495 N HIS A 229 67.051 -7.483 -1.891 1.00 0.00 N ATOM 496 CA HIS A 229 65.743 -6.920 -1.794 1.00 0.00 C ATOM 497 C HIS A 229 65.733 -5.633 -2.618 1.00 0.00 C ATOM 498 O HIS A 229 66.643 -4.836 -2.524 1.00 0.00 O ATOM 499 CB HIS A 229 65.286 -6.653 -0.281 1.00 0.00 C ATOM 500 CG HIS A 229 64.891 -7.938 0.590 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.243 -8.299 2.056 1.00 0.00 N ATOM 502 CD2 HIS A 229 63.976 -8.840 0.195 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.450 -9.303 2.285 1.00 0.00 C ATOM 504 NE2 HIS A 229 63.711 -9.681 1.234 1.00 0.00 N ATOM 0 H HIS A 229 67.463 -7.716 -0.987 1.00 0.00 H new ATOM 0 HA HIS A 229 65.018 -7.633 -2.185 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.094 -6.130 0.231 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.430 -5.978 -0.298 1.00 0.00 H new ATOM 0 HD2 HIS A 229 63.525 -8.890 -0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.392 -9.793 3.246 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.060 -10.466 1.215 1.00 0.00 H new ATOM 512 N THR A 230 64.765 -5.473 -3.445 1.00 0.00 N ATOM 513 CA THR A 230 64.725 -4.340 -4.338 1.00 0.00 C ATOM 514 C THR A 230 63.940 -3.197 -3.702 1.00 0.00 C ATOM 515 O THR A 230 63.390 -3.357 -2.604 1.00 0.00 O ATOM 516 CB THR A 230 64.118 -4.746 -5.706 1.00 0.00 C ATOM 517 OG1 THR A 230 62.793 -5.258 -5.520 1.00 0.00 O ATOM 518 CG2 THR A 230 64.960 -5.825 -6.363 1.00 0.00 C ATOM 0 H THR A 230 63.975 -6.112 -3.533 1.00 0.00 H new ATOM 0 HA THR A 230 65.743 -3.995 -4.516 1.00 0.00 H new ATOM 0 HB THR A 230 64.095 -3.861 -6.342 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.415 -5.511 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 230 64.519 -6.097 -7.322 1.00 0.00 H new ATOM 0 HG22 THR A 230 65.971 -5.451 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 230 64.995 -6.703 -5.717 1.00 0.00 H new ATOM 526 N ASP A 231 63.885 -2.060 -4.362 1.00 0.00 N ATOM 527 CA ASP A 231 63.179 -0.888 -3.830 1.00 0.00 C ATOM 528 C ASP A 231 61.683 -1.102 -3.902 1.00 0.00 C ATOM 529 O ASP A 231 60.935 -0.699 -3.008 1.00 0.00 O ATOM 530 CB ASP A 231 63.561 0.374 -4.591 1.00 0.00 C ATOM 531 CG ASP A 231 62.902 1.617 -4.031 1.00 0.00 C ATOM 532 OD1 ASP A 231 63.476 2.254 -3.124 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.818 2.005 -4.516 1.00 0.00 O ATOM 0 H ASP A 231 64.319 -1.911 -5.273 1.00 0.00 H new ATOM 0 HA ASP A 231 63.473 -0.761 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 231 64.644 0.497 -4.562 1.00 0.00 H new ATOM 0 HB3 ASP A 231 63.282 0.260 -5.638 1.00 0.00 H new ATOM 538 N GLU A 232 61.257 -1.833 -4.926 1.00 0.00 N ATOM 539 CA GLU A 232 59.841 -2.121 -5.132 1.00 0.00 C ATOM 540 C GLU A 232 59.370 -3.030 -4.036 1.00 0.00 C ATOM 541 O GLU A 232 58.231 -2.992 -3.595 1.00 0.00 O ATOM 542 CB GLU A 232 59.627 -2.779 -6.483 1.00 0.00 C ATOM 543 CG GLU A 232 60.022 -1.896 -7.645 1.00 0.00 C ATOM 544 CD GLU A 232 59.605 -2.447 -8.974 1.00 0.00 C ATOM 545 OE1 GLU A 232 60.364 -3.234 -9.594 1.00 0.00 O ATOM 546 OE2 GLU A 232 58.521 -2.076 -9.450 1.00 0.00 O ATOM 0 H GLU A 232 61.874 -2.239 -5.629 1.00 0.00 H new ATOM 0 HA GLU A 232 59.272 -1.191 -5.112 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.203 -3.703 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 232 58.577 -3.053 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 232 59.576 -0.910 -7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.103 -1.760 -7.638 1.00 0.00 H new ATOM 553 N GLN A 233 60.297 -3.800 -3.577 1.00 0.00 N ATOM 554 CA GLN A 233 60.126 -4.711 -2.502 1.00 0.00 C ATOM 555 C GLN A 233 59.916 -4.013 -1.185 1.00 0.00 C ATOM 556 O GLN A 233 59.169 -4.475 -0.335 1.00 0.00 O ATOM 557 CB GLN A 233 61.293 -5.647 -2.462 1.00 0.00 C ATOM 558 CG GLN A 233 61.117 -6.765 -3.423 1.00 0.00 C ATOM 559 CD GLN A 233 62.121 -7.843 -3.260 1.00 0.00 C ATOM 560 OE1 GLN A 233 61.946 -8.772 -2.483 1.00 0.00 O ATOM 561 NE2 GLN A 233 63.141 -7.769 -4.040 1.00 0.00 N ATOM 0 H GLN A 233 61.241 -3.810 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 233 59.216 -5.285 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.208 -5.103 -2.697 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.409 -6.045 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.119 -7.186 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.176 -6.374 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 233 63.244 -6.974 -4.671 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.847 -8.505 -4.027 1.00 0.00 H new ATOM 570 N ARG A 234 60.540 -2.895 -1.030 1.00 0.00 N ATOM 571 CA ARG A 234 60.406 -2.138 0.186 1.00 0.00 C ATOM 572 C ARG A 234 59.057 -1.412 0.114 1.00 0.00 C ATOM 573 O ARG A 234 58.374 -1.250 1.100 1.00 0.00 O ATOM 574 CB ARG A 234 61.528 -1.122 0.284 1.00 0.00 C ATOM 575 CG ARG A 234 62.892 -1.643 -0.159 1.00 0.00 C ATOM 576 CD ARG A 234 63.607 -2.553 0.744 1.00 0.00 C ATOM 577 NE ARG A 234 64.773 -2.927 -0.032 1.00 0.00 N ATOM 578 CZ ARG A 234 65.962 -3.194 0.370 1.00 0.00 C ATOM 579 NH1 ARG A 234 66.190 -3.432 1.593 1.00 0.00 N ATOM 580 NH2 ARG A 234 66.938 -3.252 -0.479 1.00 0.00 N ATOM 0 H ARG A 234 61.153 -2.476 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 234 60.455 -2.789 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.270 -0.254 -0.323 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.602 -0.779 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.761 -2.154 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.535 -0.782 -0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.883 -2.062 1.677 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.001 -3.420 1.007 1.00 0.00 H new ATOM 0 HE ARG A 234 64.628 -2.986 -1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 234 65.425 -3.412 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 234 67.138 -3.643 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 234 66.763 -3.085 -1.470 1.00 0.00 H new ATOM 0 HH22 ARG A 234 67.882 -3.464 -0.157 1.00 0.00 H new ATOM 594 N ARG A 235 58.676 -1.016 -1.099 1.00 0.00 N ATOM 595 CA ARG A 235 57.414 -0.344 -1.351 1.00 0.00 C ATOM 596 C ARG A 235 56.237 -1.277 -1.093 1.00 0.00 C ATOM 597 O ARG A 235 55.327 -0.933 -0.341 1.00 0.00 O ATOM 598 CB ARG A 235 57.369 0.135 -2.807 1.00 0.00 C ATOM 599 CG ARG A 235 56.033 0.748 -3.241 1.00 0.00 C ATOM 600 CD ARG A 235 56.050 1.087 -4.720 1.00 0.00 C ATOM 601 NE ARG A 235 56.104 -0.128 -5.543 1.00 0.00 N ATOM 602 CZ ARG A 235 56.541 -0.205 -6.807 1.00 0.00 C ATOM 603 NH1 ARG A 235 56.876 0.896 -7.479 1.00 0.00 N ATOM 604 NH2 ARG A 235 56.605 -1.386 -7.406 1.00 0.00 N ATOM 0 H ARG A 235 59.242 -1.156 -1.936 1.00 0.00 H new ATOM 0 HA ARG A 235 57.339 0.507 -0.674 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.157 0.873 -2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.595 -0.709 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.223 0.049 -3.033 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.835 1.648 -2.659 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.160 1.662 -4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.911 1.718 -4.941 1.00 0.00 H new ATOM 0 HE ARG A 235 55.779 -0.993 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 235 56.801 1.809 -7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 235 57.208 0.825 -8.441 1.00 0.00 H new ATOM 0 HH21 ARG A 235 56.323 -2.228 -6.905 1.00 0.00 H new ATOM 0 HH22 ARG A 235 56.937 -1.452 -8.368 1.00 0.00 H new ATOM 618 N THR A 236 56.315 -2.472 -1.667 1.00 0.00 N ATOM 619 CA THR A 236 55.232 -3.445 -1.687 1.00 0.00 C ATOM 620 C THR A 236 54.718 -3.784 -0.282 1.00 0.00 C ATOM 621 O THR A 236 53.531 -4.037 -0.080 1.00 0.00 O ATOM 622 CB THR A 236 55.668 -4.738 -2.469 1.00 0.00 C ATOM 623 OG1 THR A 236 54.523 -5.488 -2.889 1.00 0.00 O ATOM 624 CG2 THR A 236 56.530 -5.645 -1.614 1.00 0.00 C ATOM 0 H THR A 236 57.156 -2.798 -2.144 1.00 0.00 H new ATOM 0 HA THR A 236 54.395 -2.988 -2.215 1.00 0.00 H new ATOM 0 HB THR A 236 56.240 -4.400 -3.333 1.00 0.00 H new ATOM 0 HG1 THR A 236 54.816 -6.287 -3.375 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.811 -6.527 -2.189 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.429 -5.110 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 236 55.971 -5.951 -0.730 1.00 0.00 H new ATOM 632 N VAL A 237 55.597 -3.754 0.676 1.00 0.00 N ATOM 633 CA VAL A 237 55.248 -4.097 2.009 1.00 0.00 C ATOM 634 C VAL A 237 54.603 -2.904 2.762 1.00 0.00 C ATOM 635 O VAL A 237 53.693 -3.082 3.559 1.00 0.00 O ATOM 636 CB VAL A 237 56.470 -4.681 2.746 1.00 0.00 C ATOM 637 CG1 VAL A 237 57.577 -3.666 2.921 1.00 0.00 C ATOM 638 CG2 VAL A 237 56.079 -5.307 4.046 1.00 0.00 C ATOM 0 H VAL A 237 56.574 -3.490 0.548 1.00 0.00 H new ATOM 0 HA VAL A 237 54.483 -4.873 1.979 1.00 0.00 H new ATOM 0 HB VAL A 237 56.873 -5.470 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 237 58.414 -4.127 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 237 57.909 -3.318 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 237 57.207 -2.821 3.501 1.00 0.00 H new ATOM 0 HG21 VAL A 237 56.965 -5.708 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 237 55.617 -4.556 4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 237 55.370 -6.114 3.862 1.00 0.00 H new ATOM 648 N ARG A 238 55.011 -1.684 2.415 1.00 0.00 N ATOM 649 CA ARG A 238 54.509 -0.472 3.089 1.00 0.00 C ATOM 650 C ARG A 238 53.131 -0.230 2.567 1.00 0.00 C ATOM 651 O ARG A 238 52.209 0.094 3.288 1.00 0.00 O ATOM 652 CB ARG A 238 55.394 0.739 2.758 1.00 0.00 C ATOM 653 CG ARG A 238 56.858 0.498 3.026 1.00 0.00 C ATOM 654 CD ARG A 238 57.738 1.636 2.562 1.00 0.00 C ATOM 655 NE ARG A 238 57.788 2.774 3.494 1.00 0.00 N ATOM 656 CZ ARG A 238 57.337 4.011 3.252 1.00 0.00 C ATOM 657 NH1 ARG A 238 56.614 4.273 2.172 1.00 0.00 N ATOM 658 NH2 ARG A 238 57.599 4.980 4.109 1.00 0.00 N ATOM 0 H ARG A 238 55.687 -1.502 1.673 1.00 0.00 H new ATOM 0 HA ARG A 238 54.516 -0.608 4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.262 1.001 1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 238 55.060 1.595 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 238 57.006 0.344 4.095 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.167 -0.420 2.526 1.00 0.00 H new ATOM 0 HD2 ARG A 238 58.750 1.260 2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 238 57.379 1.988 1.595 1.00 0.00 H new ATOM 0 HE ARG A 238 58.205 2.604 4.409 1.00 0.00 H new ATOM 0 HH11 ARG A 238 56.394 3.527 1.512 1.00 0.00 H new ATOM 0 HH12 ARG A 238 56.277 5.221 2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 238 58.142 4.784 4.950 1.00 0.00 H new ATOM 0 HH22 ARG A 238 57.258 5.925 3.930 1.00 0.00 H new ATOM 672 N VAL A 239 53.020 -0.470 1.300 1.00 0.00 N ATOM 673 CA VAL A 239 51.836 -0.349 0.555 1.00 0.00 C ATOM 674 C VAL A 239 50.805 -1.385 1.029 1.00 0.00 C ATOM 675 O VAL A 239 49.601 -1.127 1.051 1.00 0.00 O ATOM 676 CB VAL A 239 52.240 -0.502 -0.925 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.155 -1.006 -1.772 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.739 0.821 -1.454 1.00 0.00 C ATOM 0 H VAL A 239 53.812 -0.774 0.734 1.00 0.00 H new ATOM 0 HA VAL A 239 51.348 0.616 0.691 1.00 0.00 H new ATOM 0 HB VAL A 239 53.034 -1.248 -0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.506 -1.090 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 239 50.840 -1.986 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.312 -0.317 -1.731 1.00 0.00 H new ATOM 0 HG21 VAL A 239 53.024 0.710 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.949 1.568 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.605 1.142 -0.874 1.00 0.00 H new ATOM 688 N TYR A 240 51.294 -2.525 1.440 1.00 0.00 N ATOM 689 CA TYR A 240 50.459 -3.550 2.011 1.00 0.00 C ATOM 690 C TYR A 240 50.005 -3.189 3.447 1.00 0.00 C ATOM 691 O TYR A 240 48.812 -3.218 3.761 1.00 0.00 O ATOM 692 CB TYR A 240 51.207 -4.895 1.994 1.00 0.00 C ATOM 693 CG TYR A 240 50.594 -5.945 2.885 1.00 0.00 C ATOM 694 CD1 TYR A 240 49.356 -6.500 2.605 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.242 -6.335 4.045 1.00 0.00 C ATOM 696 CE1 TYR A 240 48.789 -7.423 3.453 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.683 -7.249 4.900 1.00 0.00 C ATOM 698 CZ TYR A 240 49.456 -7.796 4.601 1.00 0.00 C ATOM 699 OH TYR A 240 48.880 -8.705 5.466 1.00 0.00 O ATOM 0 H TYR A 240 52.283 -2.770 1.389 1.00 0.00 H new ATOM 0 HA TYR A 240 49.557 -3.633 1.404 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.235 -5.271 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.240 -4.729 2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 240 48.829 -6.204 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.207 -5.911 4.281 1.00 0.00 H new ATOM 0 HE1 TYR A 240 47.826 -7.853 3.221 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.202 -7.538 5.802 1.00 0.00 H new ATOM 0 HH TYR A 240 49.480 -8.860 6.225 1.00 0.00 H new ATOM 709 N PHE A 241 50.950 -2.849 4.294 1.00 0.00 N ATOM 710 CA PHE A 241 50.668 -2.580 5.699 1.00 0.00 C ATOM 711 C PHE A 241 50.012 -1.239 5.972 1.00 0.00 C ATOM 712 O PHE A 241 48.980 -1.168 6.640 1.00 0.00 O ATOM 713 CB PHE A 241 51.939 -2.653 6.493 1.00 0.00 C ATOM 714 CG PHE A 241 52.396 -4.021 6.868 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.670 -4.816 7.747 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.563 -4.494 6.374 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.136 -6.070 8.113 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.039 -5.733 6.738 1.00 0.00 C ATOM 719 CZ PHE A 241 53.339 -6.523 7.603 1.00 0.00 C ATOM 0 H PHE A 241 51.932 -2.750 4.038 1.00 0.00 H new ATOM 0 HA PHE A 241 49.952 -3.345 5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.731 -2.171 5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.808 -2.072 7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.735 -4.454 8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.131 -3.889 5.682 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.564 -6.687 8.790 1.00 0.00 H new ATOM 0 HE2 PHE A 241 54.977 -6.084 6.334 1.00 0.00 H new ATOM 0 HZ PHE A 241 53.721 -7.493 7.887 1.00 0.00 H new ATOM 729 N LEU A 242 50.596 -0.190 5.472 1.00 0.00 N ATOM 730 CA LEU A 242 50.118 1.137 5.762 1.00 0.00 C ATOM 731 C LEU A 242 49.278 1.737 4.637 1.00 0.00 C ATOM 732 O LEU A 242 48.598 2.753 4.835 1.00 0.00 O ATOM 733 CB LEU A 242 51.235 2.088 6.283 1.00 0.00 C ATOM 734 CG LEU A 242 52.643 1.965 5.671 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.338 3.299 5.749 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.484 0.929 6.450 1.00 0.00 C ATOM 0 H LEU A 242 51.409 -0.225 4.857 1.00 0.00 H new ATOM 0 HA LEU A 242 49.427 1.023 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.896 3.113 6.133 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.326 1.936 7.359 1.00 0.00 H new ATOM 0 HG LEU A 242 52.543 1.644 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.335 3.216 5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.763 4.042 5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.419 3.607 6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.476 0.855 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.577 1.243 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 242 52.994 -0.044 6.407 1.00 0.00 H new ATOM 748 N GLY A 243 49.303 1.117 3.471 1.00 0.00 N ATOM 749 CA GLY A 243 48.419 1.536 2.413 1.00 0.00 C ATOM 750 C GLY A 243 49.119 2.044 1.168 1.00 0.00 C ATOM 751 O GLY A 243 50.273 2.465 1.220 1.00 0.00 O ATOM 0 H GLY A 243 49.917 0.335 3.240 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.780 0.697 2.138 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.766 2.322 2.793 1.00 0.00 H new ATOM 755 N PRO A 244 48.421 2.023 0.012 1.00 0.00 N ATOM 756 CA PRO A 244 48.949 2.523 -1.268 1.00 0.00 C ATOM 757 C PRO A 244 49.070 4.053 -1.286 1.00 0.00 C ATOM 758 O PRO A 244 49.543 4.645 -2.249 1.00 0.00 O ATOM 759 CB PRO A 244 47.920 2.048 -2.301 1.00 0.00 C ATOM 760 CG PRO A 244 46.661 1.871 -1.530 1.00 0.00 C ATOM 761 CD PRO A 244 47.069 1.455 -0.145 1.00 0.00 C ATOM 0 HA PRO A 244 49.956 2.155 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 244 47.795 2.779 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 244 48.232 1.114 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 244 46.087 2.797 -1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 244 46.026 1.115 -1.992 1.00 0.00 H new ATOM 0 HD2 PRO A 244 46.383 1.843 0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 244 47.077 0.370 -0.040 1.00 0.00 H new ATOM 769 N SER A 245 48.641 4.683 -0.216 1.00 0.00 N ATOM 770 CA SER A 245 48.793 6.107 -0.062 1.00 0.00 C ATOM 771 C SER A 245 50.212 6.426 0.435 1.00 0.00 C ATOM 772 O SER A 245 50.641 7.577 0.457 1.00 0.00 O ATOM 773 CB SER A 245 47.744 6.630 0.911 1.00 0.00 C ATOM 774 OG SER A 245 46.429 6.255 0.481 1.00 0.00 O ATOM 0 H SER A 245 48.179 4.222 0.568 1.00 0.00 H new ATOM 0 HA SER A 245 48.648 6.599 -1.024 1.00 0.00 H new ATOM 0 HB2 SER A 245 47.934 6.233 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 245 47.814 7.715 0.982 1.00 0.00 H new ATOM 0 HG SER A 245 45.767 6.597 1.117 1.00 0.00 H new ATOM 780 N ALA A 246 50.948 5.379 0.788 1.00 0.00 N ATOM 781 CA ALA A 246 52.300 5.508 1.294 1.00 0.00 C ATOM 782 C ALA A 246 53.321 5.288 0.183 1.00 0.00 C ATOM 783 O ALA A 246 54.464 4.876 0.429 1.00 0.00 O ATOM 784 CB ALA A 246 52.518 4.523 2.425 1.00 0.00 C ATOM 0 H ALA A 246 50.619 4.415 0.729 1.00 0.00 H new ATOM 0 HA ALA A 246 52.437 6.520 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 246 53.535 4.623 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 246 51.811 4.729 3.228 1.00 0.00 H new ATOM 0 HB3 ALA A 246 52.365 3.508 2.058 1.00 0.00 H new ATOM 790 N VAL A 247 52.934 5.590 -1.028 1.00 0.00 N ATOM 791 CA VAL A 247 53.846 5.476 -2.148 1.00 0.00 C ATOM 792 C VAL A 247 54.615 6.769 -2.283 1.00 0.00 C ATOM 793 O VAL A 247 54.243 7.677 -3.025 1.00 0.00 O ATOM 794 CB VAL A 247 53.158 5.129 -3.487 1.00 0.00 C ATOM 795 CG1 VAL A 247 54.185 4.989 -4.613 1.00 0.00 C ATOM 796 CG2 VAL A 247 52.343 3.865 -3.372 1.00 0.00 C ATOM 0 H VAL A 247 51.998 5.916 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 247 54.512 4.640 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 247 52.485 5.952 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 247 53.673 4.745 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 247 54.725 5.928 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 247 54.889 4.194 -4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 247 51.871 3.648 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 247 52.994 3.037 -3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 247 51.574 3.996 -2.611 1.00 0.00 H new ATOM 806 N LEU A 248 55.593 6.873 -1.474 1.00 0.00 N ATOM 807 CA LEU A 248 56.490 7.982 -1.443 1.00 0.00 C ATOM 808 C LEU A 248 57.872 7.420 -1.559 1.00 0.00 C ATOM 809 O LEU A 248 58.075 6.232 -1.268 1.00 0.00 O ATOM 810 CB LEU A 248 56.336 8.782 -0.135 1.00 0.00 C ATOM 811 CG LEU A 248 54.970 9.426 0.125 1.00 0.00 C ATOM 812 CD1 LEU A 248 55.030 10.263 1.378 1.00 0.00 C ATOM 813 CD2 LEU A 248 54.537 10.279 -1.057 1.00 0.00 C ATOM 0 H LEU A 248 55.810 6.160 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 248 56.278 8.672 -2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 248 56.562 8.117 0.698 1.00 0.00 H new ATOM 0 HB3 LEU A 248 57.090 9.569 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 248 54.234 8.633 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 248 54.056 10.719 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 248 55.297 9.631 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 248 55.780 11.045 1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 248 53.565 10.725 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 248 55.270 11.069 -1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 248 54.466 9.656 -1.949 1.00 0.00 H new ATOM 825 N PRO A 249 58.839 8.219 -1.970 1.00 0.00 N ATOM 826 CA PRO A 249 60.183 7.753 -2.184 1.00 0.00 C ATOM 827 C PRO A 249 60.912 7.613 -0.867 1.00 0.00 C ATOM 828 O PRO A 249 61.481 8.577 -0.330 1.00 0.00 O ATOM 829 CB PRO A 249 60.821 8.848 -3.020 1.00 0.00 C ATOM 830 CG PRO A 249 59.696 9.797 -3.343 1.00 0.00 C ATOM 831 CD PRO A 249 58.736 9.647 -2.237 1.00 0.00 C ATOM 0 HA PRO A 249 60.216 6.776 -2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 249 61.617 9.351 -2.471 1.00 0.00 H new ATOM 0 HB3 PRO A 249 61.268 8.442 -3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 249 60.055 10.823 -3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 249 59.236 9.551 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 249 59.008 10.249 -1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 249 57.727 9.941 -2.525 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 66.087 -7.271 3.869 1.00 0.00 ZN