USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=15 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 172:sc= 1.16 USER MOD Set 1.2: A 233 GLN :FLIP amide:sc= -3.77! C(o=-4.7!,f=-2.6!) USER MOD Single : A 203 SER OG : rot 77:sc= 0.493 USER MOD Single : A 206 THR OG1 : rot -170:sc=-0.000474 USER MOD Single : A 207 THR OG1 : rot -28:sc= 0.0757 USER MOD Single : A 208 GLN :FLIP amide:sc= -0.129 F(o=-1.3,f=-0.13) USER MOD Single : A 213 SER OG : rot -160:sc= -0.319 USER MOD Single : A 215 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 216 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 168:sc= -0.0349 (180deg=-0.291) USER MOD Single : A 219 MET CE :methyl 165:sc= -0.0764 (180deg=-0.662) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 43:sc= 1.26 USER MOD Single : A 228 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 236 THR OG1 : rot 81:sc= 0.516 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 50.912 -1.244 14.086 1.00 0.00 N ATOM 2 CA PRO A 198 51.083 -0.639 12.762 1.00 0.00 C ATOM 3 C PRO A 198 51.840 0.695 12.817 1.00 0.00 C ATOM 4 O PRO A 198 52.531 1.071 11.867 1.00 0.00 O ATOM 5 CB PRO A 198 49.642 -0.425 12.272 1.00 0.00 C ATOM 6 CG PRO A 198 48.791 -1.229 13.202 1.00 0.00 C ATOM 7 CD PRO A 198 49.514 -1.280 14.493 1.00 0.00 C ATOM 0 HA PRO A 198 51.679 -1.271 12.103 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.369 0.630 12.300 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.523 -0.758 11.241 1.00 0.00 H new ATOM 0 HG2 PRO A 198 47.810 -0.771 13.324 1.00 0.00 H new ATOM 0 HG3 PRO A 198 48.627 -2.232 12.809 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.258 -0.436 15.133 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.279 -2.186 15.052 1.00 0.00 H new ATOM 15 N GLU A 199 51.739 1.372 13.942 1.00 0.00 N ATOM 16 CA GLU A 199 52.385 2.660 14.130 1.00 0.00 C ATOM 17 C GLU A 199 53.921 2.583 14.140 1.00 0.00 C ATOM 18 O GLU A 199 54.591 3.291 13.364 1.00 0.00 O ATOM 19 CB GLU A 199 51.820 3.412 15.338 1.00 0.00 C ATOM 20 CG GLU A 199 51.566 2.563 16.564 1.00 0.00 C ATOM 21 CD GLU A 199 51.103 3.384 17.725 1.00 0.00 C ATOM 22 OE1 GLU A 199 49.893 3.661 17.846 1.00 0.00 O ATOM 23 OE2 GLU A 199 51.951 3.794 18.547 1.00 0.00 O ATOM 0 H GLU A 199 51.209 1.049 14.751 1.00 0.00 H new ATOM 0 HA GLU A 199 52.140 3.250 13.247 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.513 4.210 15.605 1.00 0.00 H new ATOM 0 HB3 GLU A 199 50.884 3.887 15.045 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.816 1.806 16.333 1.00 0.00 H new ATOM 0 HG3 GLU A 199 52.480 2.034 16.835 1.00 0.00 H new ATOM 30 N GLU A 200 54.501 1.726 14.972 1.00 0.00 N ATOM 31 CA GLU A 200 55.906 1.578 14.976 1.00 0.00 C ATOM 32 C GLU A 200 56.373 0.798 13.813 1.00 0.00 C ATOM 33 O GLU A 200 57.485 0.964 13.365 1.00 0.00 O ATOM 34 CB GLU A 200 56.439 1.025 16.252 1.00 0.00 C ATOM 35 CG GLU A 200 55.729 -0.154 16.888 1.00 0.00 C ATOM 36 CD GLU A 200 54.510 0.270 17.631 1.00 0.00 C ATOM 37 OE1 GLU A 200 54.636 0.838 18.726 1.00 0.00 O ATOM 38 OE2 GLU A 200 53.417 0.073 17.134 1.00 0.00 O ATOM 0 H GLU A 200 54.002 1.137 15.639 1.00 0.00 H new ATOM 0 HA GLU A 200 56.312 2.586 14.892 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.475 0.733 16.078 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.454 1.834 16.982 1.00 0.00 H new ATOM 0 HG2 GLU A 200 55.453 -0.872 16.116 1.00 0.00 H new ATOM 0 HG3 GLU A 200 56.410 -0.665 17.569 1.00 0.00 H new ATOM 45 N LEU A 201 55.523 -0.047 13.335 1.00 0.00 N ATOM 46 CA LEU A 201 55.762 -0.750 12.097 1.00 0.00 C ATOM 47 C LEU A 201 56.047 0.235 10.968 1.00 0.00 C ATOM 48 O LEU A 201 57.025 0.116 10.261 1.00 0.00 O ATOM 49 CB LEU A 201 54.575 -1.641 11.753 1.00 0.00 C ATOM 50 CG LEU A 201 54.492 -2.089 10.316 1.00 0.00 C ATOM 51 CD1 LEU A 201 53.959 -3.470 10.241 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.583 -1.177 9.525 1.00 0.00 C ATOM 0 H LEU A 201 54.637 -0.278 13.785 1.00 0.00 H new ATOM 0 HA LEU A 201 56.639 -1.384 12.223 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.611 -2.525 12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.658 -1.107 12.002 1.00 0.00 H new ATOM 0 HG LEU A 201 55.497 -2.055 9.895 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.904 -3.783 9.198 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.618 -4.145 10.787 1.00 0.00 H new ATOM 0 HD13 LEU A 201 52.963 -3.500 10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.537 -1.517 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.583 -1.195 9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.973 -0.160 9.555 1.00 0.00 H new ATOM 64 N ARG A 202 55.177 1.196 10.817 1.00 0.00 N ATOM 65 CA ARG A 202 55.314 2.229 9.844 1.00 0.00 C ATOM 66 C ARG A 202 56.609 2.993 10.055 1.00 0.00 C ATOM 67 O ARG A 202 57.302 3.328 9.097 1.00 0.00 O ATOM 68 CB ARG A 202 54.107 3.146 9.923 1.00 0.00 C ATOM 69 CG ARG A 202 54.247 4.374 9.097 1.00 0.00 C ATOM 70 CD ARG A 202 52.991 5.218 9.116 1.00 0.00 C ATOM 71 NE ARG A 202 53.118 6.414 8.269 1.00 0.00 N ATOM 72 CZ ARG A 202 52.137 7.293 8.026 1.00 0.00 C ATOM 73 NH1 ARG A 202 50.956 7.148 8.611 1.00 0.00 N ATOM 74 NH2 ARG A 202 52.343 8.312 7.199 1.00 0.00 N ATOM 0 H ARG A 202 54.334 1.279 11.385 1.00 0.00 H new ATOM 0 HA ARG A 202 55.358 1.792 8.846 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.222 2.598 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.944 3.432 10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 202 55.086 4.965 9.465 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.480 4.095 8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 202 52.147 4.619 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.773 5.521 10.140 1.00 0.00 H new ATOM 0 HE ARG A 202 54.024 6.587 7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.794 6.367 9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 202 50.209 7.818 8.426 1.00 0.00 H new ATOM 0 HH21 ARG A 202 53.250 8.427 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 202 51.594 8.980 7.016 1.00 0.00 H new ATOM 88 N SER A 203 56.943 3.201 11.306 1.00 0.00 N ATOM 89 CA SER A 203 58.168 3.884 11.660 1.00 0.00 C ATOM 90 C SER A 203 59.398 2.995 11.368 1.00 0.00 C ATOM 91 O SER A 203 60.496 3.498 11.104 1.00 0.00 O ATOM 92 CB SER A 203 58.100 4.316 13.119 1.00 0.00 C ATOM 93 OG SER A 203 56.943 5.144 13.331 1.00 0.00 O ATOM 0 H SER A 203 56.380 2.905 12.103 1.00 0.00 H new ATOM 0 HA SER A 203 58.280 4.778 11.046 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.054 3.439 13.765 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.004 4.863 13.388 1.00 0.00 H new ATOM 0 HG SER A 203 56.141 4.582 13.365 1.00 0.00 H new ATOM 99 N LEU A 204 59.192 1.680 11.413 1.00 0.00 N ATOM 100 CA LEU A 204 60.196 0.718 11.057 1.00 0.00 C ATOM 101 C LEU A 204 60.518 0.876 9.590 1.00 0.00 C ATOM 102 O LEU A 204 61.653 1.137 9.231 1.00 0.00 O ATOM 103 CB LEU A 204 59.693 -0.720 11.342 1.00 0.00 C ATOM 104 CG LEU A 204 60.708 -1.855 11.104 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.524 -2.958 12.094 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.560 -2.435 9.702 1.00 0.00 C ATOM 0 H LEU A 204 58.308 1.262 11.703 1.00 0.00 H new ATOM 0 HA LEU A 204 61.092 0.887 11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.362 -0.768 12.379 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.818 -0.907 10.719 1.00 0.00 H new ATOM 0 HG LEU A 204 61.702 -1.422 11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 204 61.254 -3.745 11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.666 -2.569 13.102 1.00 0.00 H new ATOM 0 HD13 LEU A 204 59.518 -3.366 12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.288 -3.234 9.560 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.554 -2.835 9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.733 -1.652 8.964 1.00 0.00 H new ATOM 118 N LEU A 205 59.484 0.785 8.753 1.00 0.00 N ATOM 119 CA LEU A 205 59.618 0.868 7.281 1.00 0.00 C ATOM 120 C LEU A 205 60.287 2.162 6.778 1.00 0.00 C ATOM 121 O LEU A 205 60.661 2.256 5.595 1.00 0.00 O ATOM 122 CB LEU A 205 58.265 0.653 6.568 1.00 0.00 C ATOM 123 CG LEU A 205 57.749 -0.801 6.395 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.714 -1.624 5.598 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.471 -1.480 7.703 1.00 0.00 C ATOM 0 H LEU A 205 58.523 0.651 9.068 1.00 0.00 H new ATOM 0 HA LEU A 205 60.292 0.052 7.020 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.507 1.212 7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.336 1.101 5.577 1.00 0.00 H new ATOM 0 HG LEU A 205 56.805 -0.723 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.327 -2.638 5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.842 -1.180 4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.676 -1.654 6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.113 -2.493 7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.386 -1.520 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.711 -0.921 8.249 1.00 0.00 H new ATOM 137 N THR A 206 60.413 3.140 7.647 1.00 0.00 N ATOM 138 CA THR A 206 61.060 4.369 7.354 1.00 0.00 C ATOM 139 C THR A 206 62.577 4.158 7.111 1.00 0.00 C ATOM 140 O THR A 206 63.160 4.795 6.239 1.00 0.00 O ATOM 141 CB THR A 206 60.833 5.329 8.523 1.00 0.00 C ATOM 142 OG1 THR A 206 59.431 5.345 8.830 1.00 0.00 O ATOM 143 CG2 THR A 206 61.276 6.725 8.170 1.00 0.00 C ATOM 0 H THR A 206 60.053 3.086 8.600 1.00 0.00 H new ATOM 0 HA THR A 206 60.640 4.789 6.440 1.00 0.00 H new ATOM 0 HB THR A 206 61.416 4.990 9.379 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.244 6.067 9.466 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.103 7.387 9.019 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.338 6.719 7.925 1.00 0.00 H new ATOM 0 HG23 THR A 206 60.707 7.081 7.311 1.00 0.00 H new ATOM 151 N THR A 207 63.201 3.254 7.855 1.00 0.00 N ATOM 152 CA THR A 207 64.629 3.020 7.677 1.00 0.00 C ATOM 153 C THR A 207 64.964 1.515 7.702 1.00 0.00 C ATOM 154 O THR A 207 66.045 1.091 7.273 1.00 0.00 O ATOM 155 CB THR A 207 65.473 3.800 8.743 1.00 0.00 C ATOM 156 OG1 THR A 207 66.877 3.744 8.426 1.00 0.00 O ATOM 157 CG2 THR A 207 65.248 3.248 10.149 1.00 0.00 C ATOM 0 H THR A 207 62.754 2.682 8.572 1.00 0.00 H new ATOM 0 HA THR A 207 64.898 3.402 6.692 1.00 0.00 H new ATOM 0 HB THR A 207 65.139 4.837 8.719 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.067 2.924 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.849 3.813 10.862 1.00 0.00 H new ATOM 0 HG22 THR A 207 64.194 3.338 10.411 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.541 2.198 10.179 1.00 0.00 H new ATOM 165 N GLN A 208 64.038 0.717 8.166 1.00 0.00 N ATOM 166 CA GLN A 208 64.229 -0.687 8.266 1.00 0.00 C ATOM 167 C GLN A 208 63.483 -1.385 7.154 1.00 0.00 C ATOM 168 O GLN A 208 62.366 -1.013 6.816 1.00 0.00 O ATOM 169 CB GLN A 208 63.792 -1.185 9.638 1.00 0.00 C ATOM 170 CG GLN A 208 64.610 -0.608 10.786 1.00 0.00 C ATOM 171 CD GLN A 208 64.328 -1.270 12.119 1.00 0.00 C ATOM 172 OE1 GLN A 208 64.103 -2.558 12.111 1.00 0.00 O flip ATOM 173 NE2 GLN A 208 64.392 -0.629 13.166 1.00 0.00 N flip ATOM 0 H GLN A 208 63.124 1.037 8.486 1.00 0.00 H new ATOM 0 HA GLN A 208 65.289 -0.918 8.158 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.742 -0.934 9.789 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.866 -2.272 9.661 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.670 -0.711 10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 208 64.404 0.459 10.868 1.00 0.00 H new ATOM 0 HE21 GLN A 208 64.569 0.375 13.139 1.00 0.00 H new ATOM 0 HE22 GLN A 208 64.268 -1.101 14.062 1.00 0.00 H new ATOM 182 N CYS A 209 64.151 -2.371 6.601 1.00 0.00 N ATOM 183 CA CYS A 209 63.749 -3.197 5.469 1.00 0.00 C ATOM 184 C CYS A 209 62.262 -3.531 5.534 1.00 0.00 C ATOM 185 O CYS A 209 61.496 -3.024 4.742 1.00 0.00 O ATOM 186 CB CYS A 209 64.642 -4.462 5.478 1.00 0.00 C ATOM 187 SG CYS A 209 65.134 -5.122 3.860 1.00 0.00 S ATOM 0 H CYS A 209 65.067 -2.644 6.956 1.00 0.00 H new ATOM 0 HA CYS A 209 63.888 -2.662 4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.546 -4.236 6.043 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.115 -5.247 6.020 1.00 0.00 H new ATOM 192 N GLY A 210 61.875 -4.390 6.440 1.00 0.00 N ATOM 193 CA GLY A 210 60.488 -4.658 6.682 1.00 0.00 C ATOM 194 C GLY A 210 59.874 -5.594 5.696 1.00 0.00 C ATOM 195 O GLY A 210 58.766 -6.027 5.879 1.00 0.00 O ATOM 0 H GLY A 210 62.515 -4.922 7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.378 -5.076 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 210 59.938 -3.717 6.667 1.00 0.00 H new ATOM 199 N VAL A 211 60.630 -5.963 4.681 1.00 0.00 N ATOM 200 CA VAL A 211 60.125 -6.818 3.634 1.00 0.00 C ATOM 201 C VAL A 211 59.917 -8.223 4.124 1.00 0.00 C ATOM 202 O VAL A 211 60.833 -8.840 4.654 1.00 0.00 O ATOM 203 CB VAL A 211 61.113 -6.764 2.493 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.510 -7.000 2.913 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.701 -7.477 1.202 1.00 0.00 C ATOM 0 H VAL A 211 61.603 -5.680 4.562 1.00 0.00 H new ATOM 0 HA VAL A 211 59.147 -6.471 3.299 1.00 0.00 H new ATOM 0 HB VAL A 211 61.078 -5.720 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.165 -6.947 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 211 62.805 -6.241 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.591 -7.987 3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.490 -7.368 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.539 -8.535 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 211 59.780 -7.036 0.821 1.00 0.00 H new ATOM 215 N ILE A 212 58.728 -8.688 3.993 1.00 0.00 N ATOM 216 CA ILE A 212 58.385 -9.994 4.435 1.00 0.00 C ATOM 217 C ILE A 212 58.934 -10.980 3.452 1.00 0.00 C ATOM 218 O ILE A 212 58.795 -10.793 2.228 1.00 0.00 O ATOM 219 CB ILE A 212 56.855 -10.193 4.516 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.214 -9.065 5.331 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.544 -11.562 5.153 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.705 -9.042 5.259 1.00 0.00 C ATOM 0 H ILE A 212 57.957 -8.169 3.572 1.00 0.00 H new ATOM 0 HA ILE A 212 58.801 -10.137 5.432 1.00 0.00 H new ATOM 0 HB ILE A 212 56.438 -10.167 3.509 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.517 -9.165 6.373 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.600 -8.109 4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.464 -11.700 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.980 -12.354 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.967 -11.601 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.325 -8.217 5.861 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.392 -8.910 4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.308 -9.983 5.641 1.00 0.00 H new ATOM 234 N SER A 213 59.606 -11.963 3.960 1.00 0.00 N ATOM 235 CA SER A 213 60.072 -13.030 3.187 1.00 0.00 C ATOM 236 C SER A 213 58.867 -13.765 2.586 1.00 0.00 C ATOM 237 O SER A 213 58.028 -14.331 3.314 1.00 0.00 O ATOM 238 CB SER A 213 60.893 -13.914 4.089 1.00 0.00 C ATOM 239 OG SER A 213 61.957 -13.159 4.667 1.00 0.00 O ATOM 0 H SER A 213 59.843 -12.032 4.950 1.00 0.00 H new ATOM 0 HA SER A 213 60.698 -12.700 2.358 1.00 0.00 H new ATOM 0 HB2 SER A 213 60.264 -14.333 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 213 61.296 -14.753 3.522 1.00 0.00 H new ATOM 0 HG SER A 213 62.656 -13.768 4.983 1.00 0.00 H new ATOM 245 N GLU A 214 58.771 -13.695 1.266 1.00 0.00 N ATOM 246 CA GLU A 214 57.684 -14.271 0.492 1.00 0.00 C ATOM 247 C GLU A 214 57.573 -15.760 0.755 1.00 0.00 C ATOM 248 O GLU A 214 56.476 -16.315 0.777 1.00 0.00 O ATOM 249 CB GLU A 214 57.907 -14.004 -0.994 1.00 0.00 C ATOM 250 CG GLU A 214 58.066 -12.527 -1.325 1.00 0.00 C ATOM 251 CD GLU A 214 58.295 -12.283 -2.790 1.00 0.00 C ATOM 252 OE1 GLU A 214 59.401 -12.554 -3.284 1.00 0.00 O ATOM 253 OE2 GLU A 214 57.381 -11.801 -3.472 1.00 0.00 O ATOM 0 H GLU A 214 59.467 -13.223 0.689 1.00 0.00 H new ATOM 0 HA GLU A 214 56.748 -13.803 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 214 58.797 -14.540 -1.322 1.00 0.00 H new ATOM 0 HB3 GLU A 214 57.066 -14.407 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 214 57.173 -11.989 -1.006 1.00 0.00 H new ATOM 0 HG3 GLU A 214 58.903 -12.120 -0.758 1.00 0.00 H new ATOM 260 N HIS A 215 58.701 -16.384 0.996 1.00 0.00 N ATOM 261 CA HIS A 215 58.726 -17.781 1.323 1.00 0.00 C ATOM 262 C HIS A 215 58.375 -18.007 2.785 1.00 0.00 C ATOM 263 O HIS A 215 57.220 -18.282 3.106 1.00 0.00 O ATOM 264 CB HIS A 215 60.055 -18.441 0.949 1.00 0.00 C ATOM 265 CG HIS A 215 60.272 -18.545 -0.524 1.00 0.00 C ATOM 266 ND1 HIS A 215 60.062 -19.726 -1.191 1.00 0.00 N ATOM 267 CD2 HIS A 215 60.668 -17.600 -1.406 1.00 0.00 C ATOM 268 CE1 HIS A 215 60.337 -19.468 -2.466 1.00 0.00 C ATOM 269 NE2 HIS A 215 60.703 -18.196 -2.630 1.00 0.00 N ATOM 0 H HIS A 215 59.618 -15.938 0.970 1.00 0.00 H new ATOM 0 HA HIS A 215 57.960 -18.267 0.719 1.00 0.00 H new ATOM 0 HB2 HIS A 215 60.872 -17.870 1.390 1.00 0.00 H new ATOM 0 HB3 HIS A 215 60.092 -19.439 1.385 1.00 0.00 H new ATOM 0 HD2 HIS A 215 60.910 -16.571 -1.183 1.00 0.00 H new ATOM 0 HE1 HIS A 215 60.272 -20.193 -3.264 1.00 0.00 H new ATOM 0 HE2 HIS A 215 60.962 -17.751 -3.511 1.00 0.00 H new ATOM 277 N THR A 216 59.330 -17.881 3.680 1.00 0.00 N ATOM 278 CA THR A 216 59.050 -18.104 5.084 1.00 0.00 C ATOM 279 C THR A 216 60.026 -17.365 5.999 1.00 0.00 C ATOM 280 O THR A 216 61.221 -17.688 6.035 1.00 0.00 O ATOM 281 CB THR A 216 59.070 -19.629 5.437 1.00 0.00 C ATOM 282 OG1 THR A 216 58.084 -20.337 4.647 1.00 0.00 O ATOM 283 CG2 THR A 216 58.782 -19.855 6.922 1.00 0.00 C ATOM 0 H THR A 216 60.295 -17.629 3.467 1.00 0.00 H new ATOM 0 HA THR A 216 58.050 -17.705 5.255 1.00 0.00 H new ATOM 0 HB THR A 216 60.066 -20.010 5.211 1.00 0.00 H new ATOM 0 HG1 THR A 216 58.106 -21.290 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 216 58.802 -20.923 7.138 1.00 0.00 H new ATOM 0 HG22 THR A 216 59.540 -19.349 7.521 1.00 0.00 H new ATOM 0 HG23 THR A 216 57.799 -19.454 7.167 1.00 0.00 H new ATOM 291 N LYS A 217 59.521 -16.336 6.655 1.00 0.00 N ATOM 292 CA LYS A 217 60.183 -15.688 7.734 1.00 0.00 C ATOM 293 C LYS A 217 59.196 -14.756 8.433 1.00 0.00 C ATOM 294 O LYS A 217 58.363 -15.221 9.192 1.00 0.00 O ATOM 295 CB LYS A 217 61.464 -14.947 7.338 1.00 0.00 C ATOM 296 CG LYS A 217 62.223 -14.462 8.545 1.00 0.00 C ATOM 297 CD LYS A 217 63.496 -13.718 8.186 1.00 0.00 C ATOM 298 CE LYS A 217 64.194 -13.237 9.450 1.00 0.00 C ATOM 299 NZ LYS A 217 65.485 -12.573 9.179 1.00 0.00 N ATOM 0 H LYS A 217 58.612 -15.929 6.433 1.00 0.00 H new ATOM 0 HA LYS A 217 60.520 -16.468 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 217 62.100 -15.609 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 217 61.212 -14.099 6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 217 61.580 -13.807 9.133 1.00 0.00 H new ATOM 0 HG3 LYS A 217 62.473 -15.314 9.177 1.00 0.00 H new ATOM 0 HD2 LYS A 217 64.161 -14.371 7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 217 63.261 -12.868 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 217 63.539 -12.544 9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 217 64.361 -14.087 10.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 65.913 -12.267 10.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 66.124 -13.239 8.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 65.328 -11.744 8.570 1.00 0.00 H new ATOM 313 N LYS A 218 59.245 -13.479 8.066 1.00 0.00 N ATOM 314 CA LYS A 218 58.465 -12.367 8.611 1.00 0.00 C ATOM 315 C LYS A 218 59.011 -11.129 7.958 1.00 0.00 C ATOM 316 O LYS A 218 59.762 -11.246 6.973 1.00 0.00 O ATOM 317 CB LYS A 218 58.610 -12.233 10.160 1.00 0.00 C ATOM 318 CG LYS A 218 57.582 -13.016 10.958 1.00 0.00 C ATOM 319 CD LYS A 218 57.834 -12.956 12.445 1.00 0.00 C ATOM 320 CE LYS A 218 56.735 -13.687 13.209 1.00 0.00 C ATOM 321 NZ LYS A 218 56.567 -15.087 12.750 1.00 0.00 N ATOM 0 H LYS A 218 59.876 -13.169 7.327 1.00 0.00 H new ATOM 0 HA LYS A 218 57.405 -12.528 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 218 59.607 -12.566 10.449 1.00 0.00 H new ATOM 0 HB3 LYS A 218 58.535 -11.180 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 218 56.587 -12.624 10.746 1.00 0.00 H new ATOM 0 HG3 LYS A 218 57.591 -14.056 10.633 1.00 0.00 H new ATOM 0 HD2 LYS A 218 58.801 -13.403 12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 218 57.879 -11.916 12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 218 56.970 -13.682 14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 218 55.793 -13.152 13.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 55.962 -15.602 13.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 56.124 -15.093 11.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 57.497 -15.549 12.697 1.00 0.00 H new ATOM 335 N MET A 219 58.639 -9.968 8.470 1.00 0.00 N ATOM 336 CA MET A 219 59.181 -8.695 8.004 1.00 0.00 C ATOM 337 C MET A 219 60.670 -8.675 8.227 1.00 0.00 C ATOM 338 O MET A 219 61.167 -9.160 9.259 1.00 0.00 O ATOM 339 CB MET A 219 58.568 -7.537 8.769 1.00 0.00 C ATOM 340 CG MET A 219 57.122 -7.364 8.587 1.00 0.00 C ATOM 341 SD MET A 219 56.429 -6.254 9.838 1.00 0.00 S ATOM 342 CE MET A 219 57.344 -4.752 9.503 1.00 0.00 C ATOM 0 H MET A 219 57.954 -9.877 9.220 1.00 0.00 H new ATOM 0 HA MET A 219 58.948 -8.591 6.944 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.770 -7.676 9.831 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.069 -6.617 8.467 1.00 0.00 H new ATOM 0 HG2 MET A 219 56.924 -6.964 7.593 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.628 -8.334 8.644 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.857 -3.911 9.997 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.362 -4.854 9.879 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.371 -4.575 8.428 1.00 0.00 H new ATOM 352 N CYS A 220 61.385 -8.140 7.283 1.00 0.00 N ATOM 353 CA CYS A 220 62.810 -8.114 7.385 1.00 0.00 C ATOM 354 C CYS A 220 63.278 -7.038 8.376 1.00 0.00 C ATOM 355 O CYS A 220 62.715 -5.965 8.418 1.00 0.00 O ATOM 356 CB CYS A 220 63.393 -7.894 6.039 1.00 0.00 C ATOM 357 SG CYS A 220 65.123 -8.091 6.038 1.00 0.00 S ATOM 0 H CYS A 220 61.005 -7.717 6.436 1.00 0.00 H new ATOM 0 HA CYS A 220 63.156 -9.073 7.770 1.00 0.00 H new ATOM 0 HB2 CYS A 220 62.948 -8.594 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.142 -6.891 5.695 1.00 0.00 H new ATOM 362 N THR A 221 64.337 -7.298 9.117 1.00 0.00 N ATOM 363 CA THR A 221 64.706 -6.398 10.196 1.00 0.00 C ATOM 364 C THR A 221 65.864 -5.432 9.935 1.00 0.00 C ATOM 365 O THR A 221 65.889 -4.363 10.538 1.00 0.00 O ATOM 366 CB THR A 221 64.872 -7.148 11.509 1.00 0.00 C ATOM 367 OG1 THR A 221 65.697 -8.314 11.302 1.00 0.00 O ATOM 368 CG2 THR A 221 63.506 -7.560 12.001 1.00 0.00 C ATOM 0 H THR A 221 64.947 -8.107 8.998 1.00 0.00 H new ATOM 0 HA THR A 221 63.851 -5.725 10.266 1.00 0.00 H new ATOM 0 HB THR A 221 65.353 -6.509 12.249 1.00 0.00 H new ATOM 0 HG1 THR A 221 65.804 -8.794 12.150 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.606 -8.100 12.943 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.892 -6.673 12.155 1.00 0.00 H new ATOM 0 HG23 THR A 221 63.032 -8.206 11.261 1.00 0.00 H new ATOM 376 N ARG A 222 66.823 -5.779 9.055 1.00 0.00 N ATOM 377 CA ARG A 222 67.915 -4.823 8.732 1.00 0.00 C ATOM 378 C ARG A 222 67.385 -3.590 8.013 1.00 0.00 C ATOM 379 O ARG A 222 66.188 -3.432 7.863 1.00 0.00 O ATOM 380 CB ARG A 222 69.008 -5.450 7.881 1.00 0.00 C ATOM 381 CG ARG A 222 69.872 -6.447 8.602 1.00 0.00 C ATOM 382 CD ARG A 222 71.036 -6.860 7.726 1.00 0.00 C ATOM 383 NE ARG A 222 71.882 -5.717 7.354 1.00 0.00 N ATOM 384 CZ ARG A 222 72.662 -5.637 6.260 1.00 0.00 C ATOM 385 NH1 ARG A 222 72.683 -6.618 5.360 1.00 0.00 N ATOM 386 NH2 ARG A 222 73.417 -4.569 6.067 1.00 0.00 N ATOM 0 H ARG A 222 66.871 -6.675 8.569 1.00 0.00 H new ATOM 0 HA ARG A 222 68.343 -4.534 9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.546 -5.942 7.025 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.643 -4.657 7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.242 -6.014 9.531 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.282 -7.323 8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 222 71.639 -7.601 8.251 1.00 0.00 H new ATOM 0 HD3 ARG A 222 70.657 -7.339 6.823 1.00 0.00 H new ATOM 0 HE ARG A 222 71.878 -4.912 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 222 72.102 -7.446 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 222 73.280 -6.542 4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 222 73.407 -3.808 6.746 1.00 0.00 H new ATOM 0 HH22 ARG A 222 74.009 -4.506 5.239 1.00 0.00 H new ATOM 400 N SER A 223 68.265 -2.753 7.524 1.00 0.00 N ATOM 401 CA SER A 223 67.850 -1.546 6.825 1.00 0.00 C ATOM 402 C SER A 223 67.232 -1.911 5.456 1.00 0.00 C ATOM 403 O SER A 223 67.250 -3.074 5.048 1.00 0.00 O ATOM 404 CB SER A 223 69.011 -0.550 6.676 1.00 0.00 C ATOM 405 OG SER A 223 68.553 0.716 6.218 1.00 0.00 O ATOM 0 H SER A 223 69.275 -2.878 7.593 1.00 0.00 H new ATOM 0 HA SER A 223 67.087 -1.049 7.423 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.516 -0.431 7.635 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.746 -0.948 5.976 1.00 0.00 H new ATOM 0 HG SER A 223 67.732 0.959 6.695 1.00 0.00 H new ATOM 411 N LEU A 224 66.688 -0.937 4.787 1.00 0.00 N ATOM 412 CA LEU A 224 65.956 -1.093 3.516 1.00 0.00 C ATOM 413 C LEU A 224 66.773 -1.840 2.466 1.00 0.00 C ATOM 414 O LEU A 224 66.297 -2.822 1.868 1.00 0.00 O ATOM 415 CB LEU A 224 65.667 0.286 2.978 1.00 0.00 C ATOM 416 CG LEU A 224 64.999 1.248 3.954 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.803 2.570 3.314 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.678 0.709 4.409 1.00 0.00 C ATOM 0 H LEU A 224 66.731 0.032 5.104 1.00 0.00 H new ATOM 0 HA LEU A 224 65.050 -1.665 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.605 0.730 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.029 0.187 2.099 1.00 0.00 H new ATOM 0 HG LEU A 224 65.650 1.360 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.325 3.249 4.020 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.769 2.977 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.170 2.458 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.219 1.411 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.025 0.572 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.828 -0.249 4.907 1.00 0.00 H new ATOM 430 N ARG A 225 68.005 -1.411 2.319 1.00 0.00 N ATOM 431 CA ARG A 225 68.936 -1.869 1.306 1.00 0.00 C ATOM 432 C ARG A 225 69.440 -3.276 1.581 1.00 0.00 C ATOM 433 O ARG A 225 69.904 -3.945 0.668 1.00 0.00 O ATOM 434 CB ARG A 225 70.116 -0.909 1.304 1.00 0.00 C ATOM 435 CG ARG A 225 71.254 -1.295 0.404 1.00 0.00 C ATOM 436 CD ARG A 225 70.898 -1.171 -1.059 1.00 0.00 C ATOM 437 NE ARG A 225 70.539 0.196 -1.422 1.00 0.00 N ATOM 438 CZ ARG A 225 69.789 0.534 -2.479 1.00 0.00 C ATOM 439 NH1 ARG A 225 69.353 -0.402 -3.318 1.00 0.00 N ATOM 440 NH2 ARG A 225 69.498 1.805 -2.702 1.00 0.00 N ATOM 0 H ARG A 225 68.407 -0.700 2.930 1.00 0.00 H new ATOM 0 HA ARG A 225 68.426 -1.892 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 225 69.760 0.078 1.009 1.00 0.00 H new ATOM 0 HB3 ARG A 225 70.494 -0.821 2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 225 72.115 -0.663 0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 225 71.550 -2.322 0.617 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.742 -1.497 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 225 70.066 -1.837 -1.287 1.00 0.00 H new ATOM 0 HE ARG A 225 70.884 0.949 -0.827 1.00 0.00 H new ATOM 0 HH11 ARG A 225 69.590 -1.381 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 225 68.782 -0.140 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 225 69.845 2.526 -2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 225 68.927 2.064 -3.507 1.00 0.00 H new ATOM 454 N CYS A 226 69.213 -3.729 2.806 1.00 0.00 N ATOM 455 CA CYS A 226 69.753 -4.950 3.398 1.00 0.00 C ATOM 456 C CYS A 226 70.435 -6.020 2.440 1.00 0.00 C ATOM 457 O CYS A 226 71.644 -6.196 2.506 1.00 0.00 O ATOM 458 CB CYS A 226 68.656 -5.456 4.292 1.00 0.00 C ATOM 459 SG CYS A 226 68.314 -7.164 4.372 1.00 0.00 S ATOM 0 H CYS A 226 68.610 -3.224 3.455 1.00 0.00 H new ATOM 0 HA CYS A 226 70.659 -4.715 3.956 1.00 0.00 H new ATOM 0 HB2 CYS A 226 68.884 -5.123 5.305 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.736 -4.955 3.991 1.00 0.00 H new ATOM 464 N PRO A 227 69.694 -6.713 1.553 1.00 0.00 N ATOM 465 CA PRO A 227 70.213 -7.774 0.695 1.00 0.00 C ATOM 466 C PRO A 227 70.014 -7.419 -0.830 1.00 0.00 C ATOM 467 O PRO A 227 70.747 -6.607 -1.392 1.00 0.00 O ATOM 468 CB PRO A 227 69.218 -8.869 1.117 1.00 0.00 C ATOM 469 CG PRO A 227 67.973 -8.067 1.422 1.00 0.00 C ATOM 470 CD PRO A 227 68.322 -6.615 1.312 1.00 0.00 C ATOM 0 HA PRO A 227 71.275 -8.000 0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.050 -9.595 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.568 -9.424 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.175 -8.321 0.724 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.607 -8.297 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.093 -6.198 0.331 1.00 0.00 H new ATOM 0 HD3 PRO A 227 67.806 -5.999 2.048 1.00 0.00 H new ATOM 478 N GLN A 228 68.971 -8.004 -1.444 1.00 0.00 N ATOM 479 CA GLN A 228 68.559 -7.725 -2.790 1.00 0.00 C ATOM 480 C GLN A 228 67.092 -7.281 -2.687 1.00 0.00 C ATOM 481 O GLN A 228 66.342 -7.260 -3.646 1.00 0.00 O ATOM 482 CB GLN A 228 68.709 -8.998 -3.636 1.00 0.00 C ATOM 483 CG GLN A 228 68.402 -8.856 -5.122 1.00 0.00 C ATOM 484 CD GLN A 228 68.563 -10.169 -5.847 1.00 0.00 C ATOM 485 OE1 GLN A 228 68.375 -11.244 -5.259 1.00 0.00 O ATOM 486 NE2 GLN A 228 68.886 -10.116 -7.113 1.00 0.00 N ATOM 0 H GLN A 228 68.387 -8.703 -0.985 1.00 0.00 H new ATOM 0 HA GLN A 228 69.160 -6.951 -3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 228 69.731 -9.362 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.054 -9.764 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 228 67.383 -8.490 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 228 69.066 -8.112 -5.562 1.00 0.00 H new ATOM 0 HE21 GLN A 228 69.033 -9.213 -7.564 1.00 0.00 H new ATOM 0 HE22 GLN A 228 68.991 -10.977 -7.649 1.00 0.00 H new ATOM 495 N HIS A 229 66.694 -6.976 -1.449 1.00 0.00 N ATOM 496 CA HIS A 229 65.405 -6.439 -1.154 1.00 0.00 C ATOM 497 C HIS A 229 65.340 -4.991 -1.628 1.00 0.00 C ATOM 498 O HIS A 229 65.637 -4.057 -0.885 1.00 0.00 O ATOM 499 CB HIS A 229 65.031 -6.506 0.332 1.00 0.00 C ATOM 500 CG HIS A 229 64.840 -7.919 0.968 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.168 -8.312 2.364 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.091 -8.903 0.452 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.546 -9.416 2.526 1.00 0.00 C ATOM 504 NE2 HIS A 229 63.906 -9.840 1.426 1.00 0.00 N ATOM 0 H HIS A 229 67.282 -7.105 -0.626 1.00 0.00 H new ATOM 0 HA HIS A 229 64.682 -7.060 -1.683 1.00 0.00 H new ATOM 0 HB2 HIS A 229 65.805 -5.986 0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.105 -5.948 0.471 1.00 0.00 H new ATOM 0 HD2 HIS A 229 63.703 -8.946 -0.555 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.536 -9.957 3.461 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.376 -10.707 1.334 1.00 0.00 H new ATOM 512 N THR A 230 64.887 -4.867 -2.813 1.00 0.00 N ATOM 513 CA THR A 230 64.902 -3.667 -3.632 1.00 0.00 C ATOM 514 C THR A 230 63.953 -2.572 -3.158 1.00 0.00 C ATOM 515 O THR A 230 63.179 -2.751 -2.214 1.00 0.00 O ATOM 516 CB THR A 230 64.512 -4.048 -5.089 1.00 0.00 C ATOM 517 OG1 THR A 230 63.196 -4.642 -5.104 1.00 0.00 O ATOM 518 CG2 THR A 230 65.473 -5.055 -5.648 1.00 0.00 C ATOM 0 H THR A 230 64.455 -5.653 -3.299 1.00 0.00 H new ATOM 0 HA THR A 230 65.912 -3.264 -3.561 1.00 0.00 H new ATOM 0 HB THR A 230 64.534 -3.139 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 230 62.901 -4.760 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.183 -5.308 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.479 -4.635 -5.651 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.457 -5.954 -5.032 1.00 0.00 H new ATOM 526 N ASP A 231 64.019 -1.444 -3.851 1.00 0.00 N ATOM 527 CA ASP A 231 63.107 -0.306 -3.680 1.00 0.00 C ATOM 528 C ASP A 231 61.683 -0.731 -3.948 1.00 0.00 C ATOM 529 O ASP A 231 60.749 -0.266 -3.300 1.00 0.00 O ATOM 530 CB ASP A 231 63.474 0.794 -4.673 1.00 0.00 C ATOM 531 CG ASP A 231 62.432 1.904 -4.758 1.00 0.00 C ATOM 532 OD1 ASP A 231 62.386 2.775 -3.870 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.665 1.935 -5.743 1.00 0.00 O ATOM 0 H ASP A 231 64.725 -1.284 -4.569 1.00 0.00 H new ATOM 0 HA ASP A 231 63.195 0.058 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 231 64.433 1.227 -4.387 1.00 0.00 H new ATOM 0 HB3 ASP A 231 63.606 0.353 -5.661 1.00 0.00 H new ATOM 538 N GLU A 232 61.542 -1.675 -4.860 1.00 0.00 N ATOM 539 CA GLU A 232 60.251 -2.179 -5.287 1.00 0.00 C ATOM 540 C GLU A 232 59.682 -2.895 -4.108 1.00 0.00 C ATOM 541 O GLU A 232 58.549 -2.731 -3.737 1.00 0.00 O ATOM 542 CB GLU A 232 60.472 -3.193 -6.386 1.00 0.00 C ATOM 543 CG GLU A 232 61.388 -2.731 -7.490 1.00 0.00 C ATOM 544 CD GLU A 232 61.850 -3.889 -8.311 1.00 0.00 C ATOM 545 OE1 GLU A 232 62.664 -4.688 -7.798 1.00 0.00 O ATOM 546 OE2 GLU A 232 61.422 -4.029 -9.464 1.00 0.00 O ATOM 0 H GLU A 232 62.331 -2.118 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 232 59.600 -1.381 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.883 -4.102 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.507 -3.457 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 232 60.868 -2.013 -8.125 1.00 0.00 H new ATOM 0 HG3 GLU A 232 62.248 -2.215 -7.064 1.00 0.00 H new ATOM 553 N GLN A 233 60.562 -3.621 -3.484 1.00 0.00 N ATOM 554 CA GLN A 233 60.308 -4.415 -2.334 1.00 0.00 C ATOM 555 C GLN A 233 59.988 -3.599 -1.102 1.00 0.00 C ATOM 556 O GLN A 233 59.207 -4.019 -0.249 1.00 0.00 O ATOM 557 CB GLN A 233 61.484 -5.316 -2.112 1.00 0.00 C ATOM 558 CG GLN A 233 61.453 -6.487 -3.043 1.00 0.00 C ATOM 559 CD GLN A 233 62.586 -7.426 -2.874 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.552 -7.251 -3.683 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.559 -8.329 -2.063 1.00 0.00 N flip ATOM 0 H GLN A 233 61.534 -3.673 -3.789 1.00 0.00 H new ATOM 0 HA GLN A 233 59.412 -5.008 -2.517 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.407 -4.756 -2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.486 -5.668 -1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.520 -7.030 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.449 -6.121 -4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 233 61.761 -8.427 -1.435 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.334 -8.990 -2.009 1.00 0.00 H new ATOM 570 N ARG A 234 60.601 -2.457 -0.996 1.00 0.00 N ATOM 571 CA ARG A 234 60.359 -1.554 0.115 1.00 0.00 C ATOM 572 C ARG A 234 58.983 -0.975 -0.020 1.00 0.00 C ATOM 573 O ARG A 234 58.187 -0.969 0.912 1.00 0.00 O ATOM 574 CB ARG A 234 61.432 -0.464 0.140 1.00 0.00 C ATOM 575 CG ARG A 234 62.831 -1.018 0.335 1.00 0.00 C ATOM 576 CD ARG A 234 62.998 -1.559 1.696 1.00 0.00 C ATOM 577 NE ARG A 234 63.315 -2.917 1.534 1.00 0.00 N ATOM 578 CZ ARG A 234 62.380 -3.786 1.443 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.273 -3.680 2.171 1.00 0.00 N ATOM 580 NH2 ARG A 234 62.534 -4.765 0.642 1.00 0.00 N ATOM 0 H ARG A 234 61.285 -2.116 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 234 60.415 -2.092 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.395 0.096 -0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.210 0.239 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 234 63.021 -1.802 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.565 -0.232 0.159 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.790 -1.034 2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 234 62.085 -1.438 2.279 1.00 0.00 H new ATOM 0 HE ARG A 234 64.291 -3.211 1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 234 61.159 -2.897 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.538 -4.382 2.086 1.00 0.00 H new ATOM 0 HH21 ARG A 234 63.389 -4.843 0.091 1.00 0.00 H new ATOM 0 HH22 ARG A 234 61.803 -5.470 0.552 1.00 0.00 H new ATOM 594 N ARG A 235 58.689 -0.618 -1.217 1.00 0.00 N ATOM 595 CA ARG A 235 57.445 -0.047 -1.600 1.00 0.00 C ATOM 596 C ARG A 235 56.334 -1.084 -1.499 1.00 0.00 C ATOM 597 O ARG A 235 55.252 -0.795 -1.024 1.00 0.00 O ATOM 598 CB ARG A 235 57.654 0.493 -2.995 1.00 0.00 C ATOM 599 CG ARG A 235 56.445 0.831 -3.791 1.00 0.00 C ATOM 600 CD ARG A 235 56.835 1.775 -4.899 1.00 0.00 C ATOM 601 NE ARG A 235 58.112 1.400 -5.571 1.00 0.00 N ATOM 602 CZ ARG A 235 58.344 1.425 -6.893 1.00 0.00 C ATOM 603 NH1 ARG A 235 57.343 1.493 -7.749 1.00 0.00 N ATOM 604 NH2 ARG A 235 59.587 1.377 -7.342 1.00 0.00 N ATOM 0 H ARG A 235 59.340 -0.720 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 235 57.128 0.763 -0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.268 1.390 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 235 58.231 -0.242 -3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 235 56.002 -0.074 -4.206 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.690 1.291 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 235 56.037 1.803 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.928 2.782 -4.493 1.00 0.00 H new ATOM 0 HE ARG A 235 58.879 1.097 -4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 235 56.382 1.527 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 235 57.530 1.511 -8.752 1.00 0.00 H new ATOM 0 HH21 ARG A 235 60.365 1.321 -6.685 1.00 0.00 H new ATOM 0 HH22 ARG A 235 59.768 1.396 -8.346 1.00 0.00 H new ATOM 618 N THR A 236 56.682 -2.292 -1.850 1.00 0.00 N ATOM 619 CA THR A 236 55.834 -3.448 -1.825 1.00 0.00 C ATOM 620 C THR A 236 55.263 -3.709 -0.430 1.00 0.00 C ATOM 621 O THR A 236 54.057 -3.905 -0.265 1.00 0.00 O ATOM 622 CB THR A 236 56.680 -4.664 -2.327 1.00 0.00 C ATOM 623 OG1 THR A 236 56.630 -4.827 -3.746 1.00 0.00 O ATOM 624 CG2 THR A 236 56.452 -5.969 -1.589 1.00 0.00 C ATOM 0 H THR A 236 57.623 -2.506 -2.181 1.00 0.00 H new ATOM 0 HA THR A 236 54.974 -3.287 -2.475 1.00 0.00 H new ATOM 0 HB THR A 236 57.701 -4.387 -2.066 1.00 0.00 H new ATOM 0 HG1 THR A 236 57.253 -4.200 -4.169 1.00 0.00 H new ATOM 0 HG21 THR A 236 57.087 -6.745 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 236 56.698 -5.839 -0.535 1.00 0.00 H new ATOM 0 HG23 THR A 236 55.407 -6.263 -1.684 1.00 0.00 H new ATOM 632 N VAL A 237 56.107 -3.671 0.555 1.00 0.00 N ATOM 633 CA VAL A 237 55.693 -4.027 1.865 1.00 0.00 C ATOM 634 C VAL A 237 54.998 -2.861 2.581 1.00 0.00 C ATOM 635 O VAL A 237 54.057 -3.064 3.341 1.00 0.00 O ATOM 636 CB VAL A 237 56.861 -4.627 2.662 1.00 0.00 C ATOM 637 CG1 VAL A 237 57.966 -3.633 2.924 1.00 0.00 C ATOM 638 CG2 VAL A 237 56.397 -5.319 3.911 1.00 0.00 C ATOM 0 H VAL A 237 57.086 -3.396 0.470 1.00 0.00 H new ATOM 0 HA VAL A 237 54.937 -4.809 1.786 1.00 0.00 H new ATOM 0 HB VAL A 237 57.301 -5.395 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 237 58.762 -4.115 3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 237 58.363 -3.272 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 237 57.572 -2.793 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.257 -5.727 4.442 1.00 0.00 H new ATOM 0 HG22 VAL A 237 55.881 -4.605 4.552 1.00 0.00 H new ATOM 0 HG23 VAL A 237 55.716 -6.128 3.647 1.00 0.00 H new ATOM 648 N ARG A 238 55.423 -1.638 2.297 1.00 0.00 N ATOM 649 CA ARG A 238 54.777 -0.477 2.875 1.00 0.00 C ATOM 650 C ARG A 238 53.391 -0.302 2.294 1.00 0.00 C ATOM 651 O ARG A 238 52.451 0.006 3.011 1.00 0.00 O ATOM 652 CB ARG A 238 55.586 0.761 2.613 1.00 0.00 C ATOM 653 CG ARG A 238 56.981 0.688 3.151 1.00 0.00 C ATOM 654 CD ARG A 238 57.727 1.949 2.864 1.00 0.00 C ATOM 655 NE ARG A 238 57.143 3.084 3.584 1.00 0.00 N ATOM 656 CZ ARG A 238 56.576 4.155 3.017 1.00 0.00 C ATOM 657 NH1 ARG A 238 56.581 4.314 1.691 1.00 0.00 N ATOM 658 NH2 ARG A 238 56.025 5.076 3.786 1.00 0.00 N ATOM 0 H ARG A 238 56.205 -1.429 1.676 1.00 0.00 H new ATOM 0 HA ARG A 238 54.700 -0.633 3.951 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.628 0.937 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 238 55.078 1.618 3.056 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.952 0.514 4.227 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.504 -0.158 2.705 1.00 0.00 H new ATOM 0 HD2 ARG A 238 58.772 1.831 3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 238 57.712 2.148 1.792 1.00 0.00 H new ATOM 0 HE ARG A 238 57.171 3.055 4.603 1.00 0.00 H new ATOM 0 HH11 ARG A 238 57.021 3.613 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 238 56.144 5.136 1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 238 56.035 4.966 4.800 1.00 0.00 H new ATOM 0 HH22 ARG A 238 55.590 5.897 3.366 1.00 0.00 H new ATOM 672 N VAL A 239 53.268 -0.543 0.999 1.00 0.00 N ATOM 673 CA VAL A 239 52.003 -0.392 0.305 1.00 0.00 C ATOM 674 C VAL A 239 51.039 -1.480 0.775 1.00 0.00 C ATOM 675 O VAL A 239 49.819 -1.325 0.762 1.00 0.00 O ATOM 676 CB VAL A 239 52.234 -0.446 -1.236 1.00 0.00 C ATOM 677 CG1 VAL A 239 52.282 -1.831 -1.810 1.00 0.00 C ATOM 678 CG2 VAL A 239 51.307 0.420 -2.002 1.00 0.00 C ATOM 0 H VAL A 239 54.038 -0.847 0.404 1.00 0.00 H new ATOM 0 HA VAL A 239 51.560 0.577 0.535 1.00 0.00 H new ATOM 0 HB VAL A 239 53.236 -0.035 -1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 239 52.446 -1.773 -2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 239 53.097 -2.388 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 239 51.338 -2.339 -1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 239 51.524 0.333 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 239 50.279 0.108 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 239 51.435 1.456 -1.689 1.00 0.00 H new ATOM 688 N TYR A 240 51.619 -2.570 1.181 1.00 0.00 N ATOM 689 CA TYR A 240 50.889 -3.680 1.765 1.00 0.00 C ATOM 690 C TYR A 240 50.428 -3.356 3.203 1.00 0.00 C ATOM 691 O TYR A 240 49.239 -3.446 3.513 1.00 0.00 O ATOM 692 CB TYR A 240 51.775 -4.947 1.742 1.00 0.00 C ATOM 693 CG TYR A 240 51.255 -6.116 2.553 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.284 -6.969 2.054 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.746 -6.357 3.829 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.816 -8.029 2.808 1.00 0.00 C ATOM 697 CE2 TYR A 240 51.289 -7.404 4.586 1.00 0.00 C ATOM 698 CZ TYR A 240 50.321 -8.240 4.076 1.00 0.00 C ATOM 699 OH TYR A 240 49.856 -9.298 4.837 1.00 0.00 O ATOM 0 H TYR A 240 52.625 -2.725 1.120 1.00 0.00 H new ATOM 0 HA TYR A 240 49.992 -3.859 1.172 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.894 -5.268 0.707 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.767 -4.683 2.110 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.888 -6.804 1.063 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.505 -5.705 4.234 1.00 0.00 H new ATOM 0 HE1 TYR A 240 49.060 -8.688 2.408 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.686 -7.572 5.576 1.00 0.00 H new ATOM 0 HH TYR A 240 50.315 -9.305 5.703 1.00 0.00 H new ATOM 709 N PHE A 241 51.360 -2.943 4.045 1.00 0.00 N ATOM 710 CA PHE A 241 51.085 -2.670 5.448 1.00 0.00 C ATOM 711 C PHE A 241 50.329 -1.372 5.718 1.00 0.00 C ATOM 712 O PHE A 241 49.308 -1.378 6.416 1.00 0.00 O ATOM 713 CB PHE A 241 52.377 -2.640 6.249 1.00 0.00 C ATOM 714 CG PHE A 241 52.926 -3.966 6.677 1.00 0.00 C ATOM 715 CD1 PHE A 241 52.135 -4.864 7.378 1.00 0.00 C ATOM 716 CD2 PHE A 241 54.249 -4.292 6.442 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.654 -6.060 7.834 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.766 -5.490 6.889 1.00 0.00 C ATOM 719 CZ PHE A 241 53.971 -6.370 7.587 1.00 0.00 C ATOM 0 H PHE A 241 52.331 -2.787 3.776 1.00 0.00 H new ATOM 0 HA PHE A 241 50.435 -3.487 5.759 1.00 0.00 H new ATOM 0 HB2 PHE A 241 53.136 -2.132 5.654 1.00 0.00 H new ATOM 0 HB3 PHE A 241 52.212 -2.035 7.140 1.00 0.00 H new ATOM 0 HD1 PHE A 241 51.099 -4.625 7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.883 -3.603 5.904 1.00 0.00 H new ATOM 0 HE1 PHE A 241 52.028 -6.749 8.382 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.798 -5.738 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.381 -7.304 7.941 1.00 0.00 H new ATOM 729 N LEU A 242 50.814 -0.278 5.184 1.00 0.00 N ATOM 730 CA LEU A 242 50.273 1.030 5.527 1.00 0.00 C ATOM 731 C LEU A 242 49.433 1.692 4.432 1.00 0.00 C ATOM 732 O LEU A 242 49.015 2.858 4.578 1.00 0.00 O ATOM 733 CB LEU A 242 51.344 1.986 6.114 1.00 0.00 C ATOM 734 CG LEU A 242 52.773 1.904 5.550 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.408 3.275 5.581 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.628 0.943 6.404 1.00 0.00 C ATOM 0 H LEU A 242 51.580 -0.259 4.511 1.00 0.00 H new ATOM 0 HA LEU A 242 49.559 0.820 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.990 3.008 5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.398 1.807 7.188 1.00 0.00 H new ATOM 0 HG LEU A 242 52.724 1.536 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.420 3.216 5.181 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.818 3.963 4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.444 3.636 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.637 0.893 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.670 1.308 7.430 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.181 -0.051 6.390 1.00 0.00 H new ATOM 748 N GLY A 243 49.170 0.986 3.356 1.00 0.00 N ATOM 749 CA GLY A 243 48.242 1.505 2.394 1.00 0.00 C ATOM 750 C GLY A 243 48.801 1.734 1.010 1.00 0.00 C ATOM 751 O GLY A 243 49.998 1.953 0.842 1.00 0.00 O ATOM 0 H GLY A 243 49.575 0.077 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.401 0.816 2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.847 2.450 2.768 1.00 0.00 H new ATOM 755 N PRO A 244 47.915 1.708 -0.011 1.00 0.00 N ATOM 756 CA PRO A 244 48.268 1.936 -1.423 1.00 0.00 C ATOM 757 C PRO A 244 48.875 3.317 -1.659 1.00 0.00 C ATOM 758 O PRO A 244 49.617 3.537 -2.619 1.00 0.00 O ATOM 759 CB PRO A 244 46.927 1.815 -2.168 1.00 0.00 C ATOM 760 CG PRO A 244 45.877 1.937 -1.119 1.00 0.00 C ATOM 761 CD PRO A 244 46.482 1.399 0.139 1.00 0.00 C ATOM 0 HA PRO A 244 49.023 1.226 -1.761 1.00 0.00 H new ATOM 0 HB2 PRO A 244 46.824 2.598 -2.920 1.00 0.00 H new ATOM 0 HB3 PRO A 244 46.852 0.861 -2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 244 45.572 2.976 -0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 244 44.985 1.375 -1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 244 46.059 1.875 1.024 1.00 0.00 H new ATOM 0 HD3 PRO A 244 46.311 0.327 0.241 1.00 0.00 H new ATOM 769 N SER A 245 48.597 4.226 -0.758 1.00 0.00 N ATOM 770 CA SER A 245 49.082 5.571 -0.851 1.00 0.00 C ATOM 771 C SER A 245 50.504 5.702 -0.272 1.00 0.00 C ATOM 772 O SER A 245 50.976 6.797 -0.001 1.00 0.00 O ATOM 773 CB SER A 245 48.090 6.503 -0.169 1.00 0.00 C ATOM 774 OG SER A 245 46.799 6.350 -0.770 1.00 0.00 O ATOM 0 H SER A 245 48.023 4.047 0.066 1.00 0.00 H new ATOM 0 HA SER A 245 49.161 5.856 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 245 48.036 6.277 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 245 48.425 7.536 -0.259 1.00 0.00 H new ATOM 0 HG SER A 245 46.160 6.949 -0.330 1.00 0.00 H new ATOM 780 N ALA A 246 51.213 4.566 -0.157 1.00 0.00 N ATOM 781 CA ALA A 246 52.605 4.570 0.286 1.00 0.00 C ATOM 782 C ALA A 246 53.515 4.749 -0.929 1.00 0.00 C ATOM 783 O ALA A 246 54.751 4.628 -0.870 1.00 0.00 O ATOM 784 CB ALA A 246 52.929 3.292 1.045 1.00 0.00 C ATOM 0 H ALA A 246 50.841 3.640 -0.365 1.00 0.00 H new ATOM 0 HA ALA A 246 52.771 5.401 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 246 53.970 3.314 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 246 52.281 3.213 1.918 1.00 0.00 H new ATOM 0 HB3 ALA A 246 52.768 2.432 0.395 1.00 0.00 H new ATOM 790 N VAL A 247 52.873 5.072 -2.006 1.00 0.00 N ATOM 791 CA VAL A 247 53.474 5.297 -3.282 1.00 0.00 C ATOM 792 C VAL A 247 53.100 6.689 -3.723 1.00 0.00 C ATOM 793 O VAL A 247 51.954 6.951 -4.094 1.00 0.00 O ATOM 794 CB VAL A 247 52.970 4.299 -4.350 1.00 0.00 C ATOM 795 CG1 VAL A 247 53.656 4.538 -5.688 1.00 0.00 C ATOM 796 CG2 VAL A 247 53.152 2.860 -3.905 1.00 0.00 C ATOM 0 H VAL A 247 51.860 5.192 -2.020 1.00 0.00 H new ATOM 0 HA VAL A 247 54.552 5.166 -3.185 1.00 0.00 H new ATOM 0 HB VAL A 247 51.901 4.473 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 247 53.283 3.823 -6.421 1.00 0.00 H new ATOM 0 HG12 VAL A 247 53.444 5.551 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 247 54.732 4.412 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 247 52.786 2.190 -4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 247 54.210 2.665 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 247 52.592 2.690 -2.986 1.00 0.00 H new ATOM 806 N LEU A 248 54.018 7.571 -3.579 1.00 0.00 N ATOM 807 CA LEU A 248 53.869 8.924 -4.010 1.00 0.00 C ATOM 808 C LEU A 248 54.113 8.995 -5.501 1.00 0.00 C ATOM 809 O LEU A 248 54.944 8.231 -6.029 1.00 0.00 O ATOM 810 CB LEU A 248 54.874 9.822 -3.271 1.00 0.00 C ATOM 811 CG LEU A 248 54.636 10.086 -1.771 1.00 0.00 C ATOM 812 CD1 LEU A 248 53.328 10.817 -1.532 1.00 0.00 C ATOM 813 CD2 LEU A 248 54.713 8.821 -0.919 1.00 0.00 C ATOM 0 H LEU A 248 54.921 7.374 -3.147 1.00 0.00 H new ATOM 0 HA LEU A 248 52.860 9.271 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 248 55.863 9.377 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 248 54.900 10.785 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 248 55.454 10.731 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 248 53.195 10.985 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 248 53.347 11.776 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 248 52.501 10.216 -1.910 1.00 0.00 H new ATOM 0 HD21 LEU A 248 54.537 9.075 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 248 53.956 8.111 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 248 55.701 8.373 -1.022 1.00 0.00 H new ATOM 825 N PRO A 249 53.390 9.876 -6.203 1.00 0.00 N ATOM 826 CA PRO A 249 53.550 10.054 -7.638 1.00 0.00 C ATOM 827 C PRO A 249 54.905 10.656 -7.941 1.00 0.00 C ATOM 828 O PRO A 249 55.174 11.820 -7.620 1.00 0.00 O ATOM 829 CB PRO A 249 52.449 11.038 -8.024 1.00 0.00 C ATOM 830 CG PRO A 249 51.537 11.096 -6.839 1.00 0.00 C ATOM 831 CD PRO A 249 52.371 10.780 -5.656 1.00 0.00 C ATOM 0 HA PRO A 249 53.485 9.113 -8.184 1.00 0.00 H new ATOM 0 HB2 PRO A 249 52.862 12.021 -8.251 1.00 0.00 H new ATOM 0 HB3 PRO A 249 51.916 10.703 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 249 51.086 12.084 -6.744 1.00 0.00 H new ATOM 0 HG3 PRO A 249 50.721 10.381 -6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 249 52.816 11.677 -5.225 1.00 0.00 H new ATOM 0 HD3 PRO A 249 51.789 10.303 -4.868 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 65.977 -7.267 4.098 1.00 0.00 ZN