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 -78:sc= 0.643 USER MOD Set 1.2: A 233 GLN :FLIP amide:sc= -1.18! C(o=-2.2!,f=-0.54!) USER MOD Set 2.1: A 215 HIS : no HD1:sc= 1.08 K(o=2.4,f=-4.9!) USER MOD Set 2.2: A 216 THR OG1 : rot 72:sc= 1.28 USER MOD Set 3.1: A 213 SER OG : rot 90:sc= 0.0865 USER MOD Set 3.2: A 217 LYS NZ :NH3+ -161:sc= 0.148 (180deg=-0.041) USER MOD Single : A 203 SER OG : rot 60:sc= 0.58 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot -24:sc= 0.0436 USER MOD Single : A 208 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.2) USER MOD Single : A 218 LYS NZ :NH3+ -135:sc= -0.0513 (180deg=-0.403) USER MOD Single : A 219 MET CE :methyl -173:sc= -0.435 (180deg=-0.58) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0.472 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc=-0.00581 K(o=-0.0058,f=-1) USER MOD Single : A 236 THR OG1 : rot 83:sc= 0.448 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 50.803 -1.219 13.852 1.00 0.00 N ATOM 2 CA PRO A 198 50.801 -0.619 12.512 1.00 0.00 C ATOM 3 C PRO A 198 51.584 0.694 12.438 1.00 0.00 C ATOM 4 O PRO A 198 52.181 1.013 11.410 1.00 0.00 O ATOM 5 CB PRO A 198 49.312 -0.382 12.219 1.00 0.00 C ATOM 6 CG PRO A 198 48.646 -0.394 13.551 1.00 0.00 C ATOM 7 CD PRO A 198 49.439 -1.339 14.400 1.00 0.00 C ATOM 0 HA PRO A 198 51.292 -1.268 11.787 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.157 0.569 11.710 1.00 0.00 H new ATOM 0 HB3 PRO A 198 48.909 -1.160 11.570 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.630 0.604 13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.610 -0.721 13.466 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.402 -1.062 15.454 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.063 -2.360 14.326 1.00 0.00 H new ATOM 15 N GLU A 199 51.616 1.410 13.538 1.00 0.00 N ATOM 16 CA GLU A 199 52.267 2.699 13.607 1.00 0.00 C ATOM 17 C GLU A 199 53.780 2.548 13.690 1.00 0.00 C ATOM 18 O GLU A 199 54.515 3.222 12.986 1.00 0.00 O ATOM 19 CB GLU A 199 51.754 3.461 14.807 1.00 0.00 C ATOM 20 CG GLU A 199 50.262 3.694 14.779 1.00 0.00 C ATOM 21 CD GLU A 199 49.783 4.336 16.034 1.00 0.00 C ATOM 22 OE1 GLU A 199 49.865 5.566 16.147 1.00 0.00 O ATOM 23 OE2 GLU A 199 49.314 3.622 16.945 1.00 0.00 O ATOM 0 H GLU A 199 51.189 1.113 14.415 1.00 0.00 H new ATOM 0 HA GLU A 199 52.035 3.252 12.697 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.011 2.912 15.713 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.263 4.423 14.861 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.008 4.325 13.927 1.00 0.00 H new ATOM 0 HG3 GLU A 199 49.748 2.744 14.637 1.00 0.00 H new ATOM 30 N GLU A 200 54.227 1.655 14.537 1.00 0.00 N ATOM 31 CA GLU A 200 55.610 1.405 14.745 1.00 0.00 C ATOM 32 C GLU A 200 56.213 0.616 13.617 1.00 0.00 C ATOM 33 O GLU A 200 57.382 0.749 13.302 1.00 0.00 O ATOM 34 CB GLU A 200 55.857 0.758 16.086 1.00 0.00 C ATOM 35 CG GLU A 200 54.791 -0.199 16.636 1.00 0.00 C ATOM 36 CD GLU A 200 53.566 0.507 17.198 1.00 0.00 C ATOM 37 OE1 GLU A 200 53.552 0.843 18.403 1.00 0.00 O ATOM 38 OE2 GLU A 200 52.603 0.734 16.449 1.00 0.00 O ATOM 0 H GLU A 200 53.615 1.074 15.109 1.00 0.00 H new ATOM 0 HA GLU A 200 56.117 2.370 14.756 1.00 0.00 H new ATOM 0 HB2 GLU A 200 56.797 0.209 16.023 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.001 1.553 16.818 1.00 0.00 H new ATOM 0 HG2 GLU A 200 54.477 -0.875 15.840 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.236 -0.813 17.419 1.00 0.00 H new ATOM 45 N LEU A 201 55.418 -0.205 13.037 1.00 0.00 N ATOM 46 CA LEU A 201 55.771 -0.899 11.807 1.00 0.00 C ATOM 47 C LEU A 201 56.105 0.108 10.707 1.00 0.00 C ATOM 48 O LEU A 201 57.082 -0.013 9.987 1.00 0.00 O ATOM 49 CB LEU A 201 54.614 -1.800 11.387 1.00 0.00 C ATOM 50 CG LEU A 201 54.603 -2.230 9.948 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.073 -3.611 9.829 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.727 -1.315 9.134 1.00 0.00 C ATOM 0 H LEU A 201 54.488 -0.432 13.389 1.00 0.00 H new ATOM 0 HA LEU A 201 56.655 -1.514 11.977 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.629 -2.693 12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.680 -1.280 11.597 1.00 0.00 H new ATOM 0 HG LEU A 201 55.627 -2.190 9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 201 54.070 -3.911 8.781 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.703 -4.293 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.056 -3.645 10.219 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.729 -1.640 8.093 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.709 -1.346 9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 201 54.108 -0.296 9.197 1.00 0.00 H new ATOM 64 N ARG A 202 55.261 1.064 10.598 1.00 0.00 N ATOM 65 CA ARG A 202 55.371 2.148 9.703 1.00 0.00 C ATOM 66 C ARG A 202 56.652 2.955 10.012 1.00 0.00 C ATOM 67 O ARG A 202 57.332 3.452 9.101 1.00 0.00 O ATOM 68 CB ARG A 202 54.101 2.926 9.902 1.00 0.00 C ATOM 69 CG ARG A 202 53.909 4.126 9.095 1.00 0.00 C ATOM 70 CD ARG A 202 52.472 4.579 9.266 1.00 0.00 C ATOM 71 NE ARG A 202 52.094 5.688 8.402 1.00 0.00 N ATOM 72 CZ ARG A 202 50.858 5.857 7.903 1.00 0.00 C ATOM 73 NH1 ARG A 202 49.900 4.953 8.123 1.00 0.00 N ATOM 74 NH2 ARG A 202 50.574 6.927 7.204 1.00 0.00 N ATOM 0 H ARG A 202 54.419 1.111 11.171 1.00 0.00 H new ATOM 0 HA ARG A 202 55.473 1.855 8.658 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.263 2.255 9.711 1.00 0.00 H new ATOM 0 HB3 ARG A 202 54.045 3.215 10.952 1.00 0.00 H new ATOM 0 HG2 ARG A 202 54.596 4.911 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.121 3.918 8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 202 51.810 3.736 9.068 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.315 4.871 10.304 1.00 0.00 H new ATOM 0 HE ARG A 202 52.808 6.376 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.102 4.120 8.676 1.00 0.00 H new ATOM 0 HH12 ARG A 202 48.966 5.095 7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 202 51.291 7.633 7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 202 49.635 7.055 6.825 1.00 0.00 H new ATOM 88 N SER A 203 56.991 3.029 11.294 1.00 0.00 N ATOM 89 CA SER A 203 58.236 3.647 11.744 1.00 0.00 C ATOM 90 C SER A 203 59.434 2.758 11.352 1.00 0.00 C ATOM 91 O SER A 203 60.528 3.253 11.049 1.00 0.00 O ATOM 92 CB SER A 203 58.208 3.838 13.256 1.00 0.00 C ATOM 93 OG SER A 203 57.029 4.522 13.670 1.00 0.00 O ATOM 0 H SER A 203 56.413 2.663 12.051 1.00 0.00 H new ATOM 0 HA SER A 203 58.341 4.621 11.265 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.259 2.867 13.748 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.087 4.401 13.570 1.00 0.00 H new ATOM 0 HG SER A 203 56.240 4.002 13.408 1.00 0.00 H new ATOM 99 N LEU A 204 59.218 1.444 11.371 1.00 0.00 N ATOM 100 CA LEU A 204 60.205 0.484 10.939 1.00 0.00 C ATOM 101 C LEU A 204 60.540 0.758 9.493 1.00 0.00 C ATOM 102 O LEU A 204 61.678 1.061 9.169 1.00 0.00 O ATOM 103 CB LEU A 204 59.678 -0.960 11.118 1.00 0.00 C ATOM 104 CG LEU A 204 60.675 -2.088 10.807 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.445 -3.262 11.696 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.551 -2.541 9.361 1.00 0.00 C ATOM 0 H LEU A 204 58.345 1.024 11.690 1.00 0.00 H new ATOM 0 HA LEU A 204 61.104 0.581 11.547 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.339 -1.076 12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.805 -1.088 10.478 1.00 0.00 H new ATOM 0 HG LEU A 204 61.675 -1.690 10.979 1.00 0.00 H new ATOM 0 HD11 LEU A 204 61.163 -4.046 11.456 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.571 -2.961 12.736 1.00 0.00 H new ATOM 0 HD13 LEU A 204 59.433 -3.639 11.547 1.00 0.00 H new ATOM 0 HD21 LEU A 204 61.267 -3.339 9.167 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.541 -2.908 9.180 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.756 -1.701 8.698 1.00 0.00 H new ATOM 118 N LEU A 205 59.512 0.751 8.653 1.00 0.00 N ATOM 119 CA LEU A 205 59.632 0.988 7.210 1.00 0.00 C ATOM 120 C LEU A 205 60.280 2.330 6.833 1.00 0.00 C ATOM 121 O LEU A 205 60.550 2.571 5.662 1.00 0.00 O ATOM 122 CB LEU A 205 58.269 0.851 6.500 1.00 0.00 C ATOM 123 CG LEU A 205 57.848 -0.548 6.005 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.864 -1.123 5.034 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.613 -1.496 7.137 1.00 0.00 C ATOM 0 H LEU A 205 58.553 0.578 8.955 1.00 0.00 H new ATOM 0 HA LEU A 205 60.311 0.210 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.499 1.209 7.183 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.271 1.523 5.641 1.00 0.00 H new ATOM 0 HG LEU A 205 56.903 -0.421 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.536 -2.109 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 205 58.955 -0.464 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.832 -1.209 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.319 -2.468 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.529 -1.603 7.718 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.820 -1.109 7.777 1.00 0.00 H new ATOM 137 N THR A 206 60.516 3.189 7.799 1.00 0.00 N ATOM 138 CA THR A 206 61.144 4.439 7.560 1.00 0.00 C ATOM 139 C THR A 206 62.664 4.242 7.262 1.00 0.00 C ATOM 140 O THR A 206 63.222 4.902 6.383 1.00 0.00 O ATOM 141 CB THR A 206 60.921 5.348 8.776 1.00 0.00 C ATOM 142 OG1 THR A 206 59.504 5.462 9.022 1.00 0.00 O ATOM 143 CG2 THR A 206 61.490 6.719 8.541 1.00 0.00 C ATOM 0 H THR A 206 60.270 3.025 8.775 1.00 0.00 H new ATOM 0 HA THR A 206 60.704 4.912 6.682 1.00 0.00 H new ATOM 0 HB THR A 206 61.427 4.908 9.635 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.352 6.040 9.799 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.317 7.340 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.562 6.642 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.005 7.171 7.676 1.00 0.00 H new ATOM 151 N THR A 207 63.309 3.304 7.958 1.00 0.00 N ATOM 152 CA THR A 207 64.730 3.059 7.730 1.00 0.00 C ATOM 153 C THR A 207 65.055 1.555 7.698 1.00 0.00 C ATOM 154 O THR A 207 66.118 1.146 7.210 1.00 0.00 O ATOM 155 CB THR A 207 65.622 3.796 8.786 1.00 0.00 C ATOM 156 OG1 THR A 207 67.023 3.590 8.510 1.00 0.00 O ATOM 157 CG2 THR A 207 65.317 3.325 10.205 1.00 0.00 C ATOM 0 H THR A 207 62.879 2.713 8.670 1.00 0.00 H new ATOM 0 HA THR A 207 64.964 3.470 6.748 1.00 0.00 H new ATOM 0 HB THR A 207 65.389 4.858 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.136 2.767 7.990 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.955 3.858 10.910 1.00 0.00 H new ATOM 0 HG22 THR A 207 64.271 3.526 10.438 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.507 2.254 10.282 1.00 0.00 H new ATOM 165 N GLN A 208 64.144 0.749 8.177 1.00 0.00 N ATOM 166 CA GLN A 208 64.332 -0.665 8.257 1.00 0.00 C ATOM 167 C GLN A 208 63.645 -1.330 7.104 1.00 0.00 C ATOM 168 O GLN A 208 62.569 -0.919 6.697 1.00 0.00 O ATOM 169 CB GLN A 208 63.785 -1.189 9.573 1.00 0.00 C ATOM 170 CG GLN A 208 64.517 -0.671 10.777 1.00 0.00 C ATOM 171 CD GLN A 208 63.987 -1.250 12.052 1.00 0.00 C ATOM 172 OE1 GLN A 208 63.077 -0.682 12.678 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.509 -2.391 12.441 1.00 0.00 N ATOM 0 H GLN A 208 63.240 1.067 8.526 1.00 0.00 H new ATOM 0 HA GLN A 208 65.398 -0.890 8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.732 -0.917 9.653 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.834 -2.278 9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.577 -0.907 10.685 1.00 0.00 H new ATOM 0 HG3 GLN A 208 64.434 0.415 10.811 1.00 0.00 H new ATOM 0 HE21 GLN A 208 65.255 -2.823 11.896 1.00 0.00 H new ATOM 0 HE22 GLN A 208 64.168 -2.845 13.288 1.00 0.00 H new ATOM 182 N CYS A 209 64.320 -2.334 6.591 1.00 0.00 N ATOM 183 CA CYS A 209 63.945 -3.168 5.465 1.00 0.00 C ATOM 184 C CYS A 209 62.463 -3.475 5.487 1.00 0.00 C ATOM 185 O CYS A 209 61.715 -2.913 4.706 1.00 0.00 O ATOM 186 CB CYS A 209 64.812 -4.447 5.526 1.00 0.00 C ATOM 187 SG CYS A 209 65.382 -5.114 3.939 1.00 0.00 S ATOM 0 H CYS A 209 65.220 -2.613 6.981 1.00 0.00 H new ATOM 0 HA CYS A 209 64.127 -2.652 4.522 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.687 -4.237 6.142 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.241 -5.222 6.037 1.00 0.00 H new ATOM 192 N GLY A 210 62.048 -4.368 6.337 1.00 0.00 N ATOM 193 CA GLY A 210 60.653 -4.621 6.503 1.00 0.00 C ATOM 194 C GLY A 210 60.086 -5.427 5.397 1.00 0.00 C ATOM 195 O GLY A 210 58.920 -5.584 5.301 1.00 0.00 O ATOM 0 H GLY A 210 62.660 -4.933 6.926 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.491 -5.141 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.120 -3.672 6.567 1.00 0.00 H new ATOM 199 N VAL A 211 60.922 -5.954 4.542 1.00 0.00 N ATOM 200 CA VAL A 211 60.394 -6.752 3.478 1.00 0.00 C ATOM 201 C VAL A 211 59.936 -8.108 3.941 1.00 0.00 C ATOM 202 O VAL A 211 60.702 -8.860 4.540 1.00 0.00 O ATOM 203 CB VAL A 211 61.400 -6.848 2.386 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.675 -7.333 2.851 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.921 -7.509 1.105 1.00 0.00 C ATOM 0 H VAL A 211 61.936 -5.849 4.561 1.00 0.00 H new ATOM 0 HA VAL A 211 59.500 -6.259 3.095 1.00 0.00 H new ATOM 0 HB VAL A 211 61.556 -5.815 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.372 -7.384 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.067 -6.656 3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.551 -8.327 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.733 -7.526 0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.604 -8.530 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.081 -6.946 0.697 1.00 0.00 H new ATOM 215 N ILE A 212 58.671 -8.348 3.744 1.00 0.00 N ATOM 216 CA ILE A 212 58.071 -9.625 3.985 1.00 0.00 C ATOM 217 C ILE A 212 58.748 -10.562 3.017 1.00 0.00 C ATOM 218 O ILE A 212 58.607 -10.388 1.799 1.00 0.00 O ATOM 219 CB ILE A 212 56.554 -9.550 3.683 1.00 0.00 C ATOM 220 CG1 ILE A 212 55.927 -8.399 4.480 1.00 0.00 C ATOM 221 CG2 ILE A 212 55.879 -10.867 4.048 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.529 -8.034 4.046 1.00 0.00 C ATOM 0 H ILE A 212 58.015 -7.644 3.404 1.00 0.00 H new ATOM 0 HA ILE A 212 58.185 -9.953 5.018 1.00 0.00 H new ATOM 0 HB ILE A 212 56.411 -9.369 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 212 55.908 -8.671 5.535 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.565 -7.520 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 212 54.813 -10.802 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.319 -11.675 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.022 -11.067 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.160 -7.212 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.541 -7.728 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 212 53.874 -8.897 4.164 1.00 0.00 H new ATOM 234 N SER A 213 59.494 -11.517 3.545 1.00 0.00 N ATOM 235 CA SER A 213 60.394 -12.318 2.733 1.00 0.00 C ATOM 236 C SER A 213 59.642 -13.068 1.662 1.00 0.00 C ATOM 237 O SER A 213 60.060 -13.088 0.497 1.00 0.00 O ATOM 238 CB SER A 213 61.145 -13.293 3.618 1.00 0.00 C ATOM 239 OG SER A 213 62.224 -13.944 2.942 1.00 0.00 O ATOM 0 H SER A 213 59.494 -11.757 4.536 1.00 0.00 H new ATOM 0 HA SER A 213 61.101 -11.649 2.242 1.00 0.00 H new ATOM 0 HB2 SER A 213 61.535 -12.761 4.486 1.00 0.00 H new ATOM 0 HB3 SER A 213 60.450 -14.046 3.991 1.00 0.00 H new ATOM 0 HG SER A 213 63.042 -13.415 3.047 1.00 0.00 H new ATOM 245 N GLU A 214 58.540 -13.659 2.065 1.00 0.00 N ATOM 246 CA GLU A 214 57.705 -14.449 1.210 1.00 0.00 C ATOM 247 C GLU A 214 56.465 -14.878 1.969 1.00 0.00 C ATOM 248 O GLU A 214 56.474 -15.894 2.653 1.00 0.00 O ATOM 249 CB GLU A 214 58.480 -15.655 0.603 1.00 0.00 C ATOM 250 CG GLU A 214 59.239 -16.515 1.614 1.00 0.00 C ATOM 251 CD GLU A 214 60.107 -17.541 0.956 1.00 0.00 C ATOM 252 OE1 GLU A 214 59.583 -18.575 0.493 1.00 0.00 O ATOM 253 OE2 GLU A 214 61.329 -17.342 0.884 1.00 0.00 O ATOM 0 H GLU A 214 58.197 -13.597 3.024 1.00 0.00 H new ATOM 0 HA GLU A 214 57.390 -13.842 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 214 57.773 -16.289 0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 214 59.189 -15.277 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 214 59.855 -15.872 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 214 58.526 -17.014 2.270 1.00 0.00 H new ATOM 260 N HIS A 215 55.435 -14.019 1.906 1.00 0.00 N ATOM 261 CA HIS A 215 54.091 -14.208 2.524 1.00 0.00 C ATOM 262 C HIS A 215 54.088 -14.646 4.009 1.00 0.00 C ATOM 263 O HIS A 215 53.845 -13.827 4.909 1.00 0.00 O ATOM 264 CB HIS A 215 53.111 -15.048 1.641 1.00 0.00 C ATOM 265 CG HIS A 215 53.619 -16.390 1.181 1.00 0.00 C ATOM 266 ND1 HIS A 215 53.378 -17.542 1.890 1.00 0.00 N ATOM 267 CD2 HIS A 215 54.352 -16.687 0.092 1.00 0.00 C ATOM 268 CE1 HIS A 215 53.978 -18.511 1.212 1.00 0.00 C ATOM 269 NE2 HIS A 215 54.576 -18.038 0.120 1.00 0.00 N ATOM 0 H HIS A 215 55.508 -13.134 1.405 1.00 0.00 H new ATOM 0 HA HIS A 215 53.692 -13.194 2.553 1.00 0.00 H new ATOM 0 HB2 HIS A 215 52.190 -15.204 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 215 52.851 -14.459 0.761 1.00 0.00 H new ATOM 0 HD2 HIS A 215 54.697 -15.993 -0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 215 53.981 -19.550 1.507 1.00 0.00 H new ATOM 0 HE2 HIS A 215 55.102 -18.580 -0.566 1.00 0.00 H new ATOM 277 N THR A 216 54.369 -15.905 4.248 1.00 0.00 N ATOM 278 CA THR A 216 54.396 -16.479 5.564 1.00 0.00 C ATOM 279 C THR A 216 55.697 -16.069 6.291 1.00 0.00 C ATOM 280 O THR A 216 55.735 -15.972 7.529 1.00 0.00 O ATOM 281 CB THR A 216 54.289 -18.019 5.453 1.00 0.00 C ATOM 282 OG1 THR A 216 53.143 -18.344 4.632 1.00 0.00 O ATOM 283 CG2 THR A 216 54.106 -18.664 6.825 1.00 0.00 C ATOM 0 H THR A 216 54.591 -16.573 3.510 1.00 0.00 H new ATOM 0 HA THR A 216 53.551 -16.109 6.145 1.00 0.00 H new ATOM 0 HB THR A 216 55.211 -18.400 5.013 1.00 0.00 H new ATOM 0 HG1 THR A 216 53.338 -18.125 3.697 1.00 0.00 H new ATOM 0 HG21 THR A 216 54.034 -19.746 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 216 54.960 -18.421 7.458 1.00 0.00 H new ATOM 0 HG23 THR A 216 53.193 -18.286 7.286 1.00 0.00 H new ATOM 291 N LYS A 217 56.736 -15.775 5.520 1.00 0.00 N ATOM 292 CA LYS A 217 57.956 -15.355 6.046 1.00 0.00 C ATOM 293 C LYS A 217 57.894 -13.859 6.040 1.00 0.00 C ATOM 294 O LYS A 217 57.903 -13.218 4.999 1.00 0.00 O ATOM 295 CB LYS A 217 59.108 -15.882 5.218 1.00 0.00 C ATOM 296 CG LYS A 217 60.458 -15.740 5.874 1.00 0.00 C ATOM 297 CD LYS A 217 61.515 -16.464 5.067 1.00 0.00 C ATOM 298 CE LYS A 217 62.888 -16.361 5.698 1.00 0.00 C ATOM 299 NZ LYS A 217 63.417 -14.973 5.710 1.00 0.00 N ATOM 0 H LYS A 217 56.719 -15.834 4.502 1.00 0.00 H new ATOM 0 HA LYS A 217 58.125 -15.734 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 217 58.932 -16.935 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 217 59.124 -15.357 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 217 60.718 -14.685 5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 217 60.423 -16.145 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 217 61.240 -17.514 4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 217 61.548 -16.049 4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 217 62.841 -16.735 6.721 1.00 0.00 H new ATOM 0 HE3 LYS A 217 63.581 -17.004 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 64.448 -14.996 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 63.195 -14.509 4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 62.979 -14.441 6.489 1.00 0.00 H new ATOM 313 N LYS A 218 57.760 -13.380 7.198 1.00 0.00 N ATOM 314 CA LYS A 218 57.473 -12.003 7.575 1.00 0.00 C ATOM 315 C LYS A 218 58.548 -10.975 7.213 1.00 0.00 C ATOM 316 O LYS A 218 59.499 -11.257 6.459 1.00 0.00 O ATOM 317 CB LYS A 218 57.162 -11.949 9.075 1.00 0.00 C ATOM 318 CG LYS A 218 55.905 -12.695 9.472 1.00 0.00 C ATOM 319 CD LYS A 218 55.633 -12.562 10.956 1.00 0.00 C ATOM 320 CE LYS A 218 54.311 -13.209 11.340 1.00 0.00 C ATOM 321 NZ LYS A 218 53.167 -12.594 10.629 1.00 0.00 N ATOM 0 H LYS A 218 57.852 -13.977 8.020 1.00 0.00 H new ATOM 0 HA LYS A 218 56.611 -11.707 6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 218 58.007 -12.363 9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.064 -10.906 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 218 55.056 -12.308 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 218 56.007 -13.749 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 218 56.443 -13.026 11.519 1.00 0.00 H new ATOM 0 HD3 LYS A 218 55.617 -11.507 11.231 1.00 0.00 H new ATOM 0 HE2 LYS A 218 54.349 -14.274 11.113 1.00 0.00 H new ATOM 0 HE3 LYS A 218 54.161 -13.118 12.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 52.391 -12.426 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 53.464 -11.690 10.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 52.841 -13.234 9.877 1.00 0.00 H new ATOM 335 N MET A 219 58.364 -9.776 7.771 1.00 0.00 N ATOM 336 CA MET A 219 59.173 -8.610 7.496 1.00 0.00 C ATOM 337 C MET A 219 60.618 -8.757 7.895 1.00 0.00 C ATOM 338 O MET A 219 60.963 -9.429 8.868 1.00 0.00 O ATOM 339 CB MET A 219 58.614 -7.359 8.166 1.00 0.00 C ATOM 340 CG MET A 219 57.363 -6.801 7.573 1.00 0.00 C ATOM 341 SD MET A 219 57.084 -5.096 8.102 1.00 0.00 S ATOM 342 CE MET A 219 57.202 -5.241 9.874 1.00 0.00 C ATOM 0 H MET A 219 57.621 -9.595 8.447 1.00 0.00 H new ATOM 0 HA MET A 219 59.133 -8.508 6.412 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.425 -7.587 9.215 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.381 -6.585 8.141 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.425 -6.840 6.485 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.513 -7.418 7.866 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.928 -4.292 10.336 1.00 0.00 H new ATOM 0 HE2 MET A 219 56.526 -6.022 10.221 1.00 0.00 H new ATOM 0 HE3 MET A 219 58.225 -5.497 10.151 1.00 0.00 H new ATOM 352 N CYS A 220 61.452 -8.123 7.122 1.00 0.00 N ATOM 353 CA CYS A 220 62.871 -8.092 7.375 1.00 0.00 C ATOM 354 C CYS A 220 63.224 -6.949 8.370 1.00 0.00 C ATOM 355 O CYS A 220 62.541 -5.961 8.413 1.00 0.00 O ATOM 356 CB CYS A 220 63.582 -7.903 6.060 1.00 0.00 C ATOM 357 SG CYS A 220 65.327 -7.970 6.202 1.00 0.00 S ATOM 0 H CYS A 220 61.167 -7.607 6.289 1.00 0.00 H new ATOM 0 HA CYS A 220 63.190 -9.029 7.832 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.251 -8.672 5.362 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.295 -6.941 5.634 1.00 0.00 H new ATOM 362 N THR A 221 64.307 -7.067 9.122 1.00 0.00 N ATOM 363 CA THR A 221 64.615 -6.064 10.150 1.00 0.00 C ATOM 364 C THR A 221 65.850 -5.184 9.886 1.00 0.00 C ATOM 365 O THR A 221 65.976 -4.116 10.483 1.00 0.00 O ATOM 366 CB THR A 221 64.726 -6.745 11.503 1.00 0.00 C ATOM 367 OG1 THR A 221 65.493 -7.960 11.343 1.00 0.00 O ATOM 368 CG2 THR A 221 63.339 -7.072 12.017 1.00 0.00 C ATOM 0 H THR A 221 64.981 -7.829 9.049 1.00 0.00 H new ATOM 0 HA THR A 221 63.781 -5.363 10.126 1.00 0.00 H new ATOM 0 HB THR A 221 65.221 -6.088 12.218 1.00 0.00 H new ATOM 0 HG1 THR A 221 65.575 -8.411 12.209 1.00 0.00 H new ATOM 0 HG21 THR A 221 63.417 -7.561 12.988 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.763 -6.153 12.119 1.00 0.00 H new ATOM 0 HG23 THR A 221 62.838 -7.738 11.314 1.00 0.00 H new ATOM 376 N ARG A 222 66.745 -5.617 8.987 1.00 0.00 N ATOM 377 CA ARG A 222 67.967 -4.861 8.661 1.00 0.00 C ATOM 378 C ARG A 222 67.633 -3.585 7.894 1.00 0.00 C ATOM 379 O ARG A 222 66.480 -3.229 7.772 1.00 0.00 O ATOM 380 CB ARG A 222 68.889 -5.714 7.797 1.00 0.00 C ATOM 381 CG ARG A 222 69.517 -6.957 8.454 1.00 0.00 C ATOM 382 CD ARG A 222 68.534 -7.977 9.003 1.00 0.00 C ATOM 383 NE ARG A 222 69.229 -9.183 9.433 1.00 0.00 N ATOM 384 CZ ARG A 222 68.839 -10.028 10.396 1.00 0.00 C ATOM 385 NH1 ARG A 222 67.759 -9.775 11.147 1.00 0.00 N ATOM 386 NH2 ARG A 222 69.550 -11.125 10.620 1.00 0.00 N ATOM 0 H ARG A 222 66.647 -6.490 8.470 1.00 0.00 H new ATOM 0 HA ARG A 222 68.457 -4.600 9.599 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.326 -6.042 6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.697 -5.078 7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 222 70.154 -7.451 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 222 70.164 -6.628 9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 222 67.988 -7.547 9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 222 67.798 -8.228 8.239 1.00 0.00 H new ATOM 0 HE ARG A 222 70.100 -9.406 8.952 1.00 0.00 H new ATOM 0 HH11 ARG A 222 67.217 -8.926 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 222 67.479 -10.432 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 222 70.382 -11.316 10.062 1.00 0.00 H new ATOM 0 HH22 ARG A 222 69.265 -11.777 11.350 1.00 0.00 H new ATOM 400 N SER A 223 68.638 -2.948 7.344 1.00 0.00 N ATOM 401 CA SER A 223 68.480 -1.741 6.538 1.00 0.00 C ATOM 402 C SER A 223 67.596 -2.018 5.291 1.00 0.00 C ATOM 403 O SER A 223 67.385 -3.168 4.931 1.00 0.00 O ATOM 404 CB SER A 223 69.865 -1.281 6.136 1.00 0.00 C ATOM 405 OG SER A 223 70.561 -2.318 5.449 1.00 0.00 O ATOM 0 H SER A 223 69.607 -3.251 7.440 1.00 0.00 H new ATOM 0 HA SER A 223 67.976 -0.963 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.790 -0.401 5.497 1.00 0.00 H new ATOM 0 HB3 SER A 223 70.426 -0.984 7.022 1.00 0.00 H new ATOM 0 HG SER A 223 71.453 -2.001 5.196 1.00 0.00 H new ATOM 411 N LEU A 224 67.087 -0.991 4.656 1.00 0.00 N ATOM 412 CA LEU A 224 66.178 -1.123 3.496 1.00 0.00 C ATOM 413 C LEU A 224 66.759 -1.994 2.372 1.00 0.00 C ATOM 414 O LEU A 224 66.131 -2.974 1.948 1.00 0.00 O ATOM 415 CB LEU A 224 65.864 0.254 2.958 1.00 0.00 C ATOM 416 CG LEU A 224 65.173 1.213 3.923 1.00 0.00 C ATOM 417 CD1 LEU A 224 65.034 2.549 3.287 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.811 0.703 4.311 1.00 0.00 C ATOM 0 H LEU A 224 67.281 -0.024 4.916 1.00 0.00 H new ATOM 0 HA LEU A 224 65.274 -1.622 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.796 0.713 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.233 0.142 2.076 1.00 0.00 H new ATOM 0 HG LEU A 224 65.784 1.290 4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 224 64.540 3.232 3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 224 66.021 2.937 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 224 64.438 2.459 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.342 1.406 4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.193 0.601 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.911 -0.268 4.796 1.00 0.00 H new ATOM 430 N ARG A 225 67.960 -1.689 1.955 1.00 0.00 N ATOM 431 CA ARG A 225 68.596 -2.364 0.833 1.00 0.00 C ATOM 432 C ARG A 225 69.313 -3.633 1.257 1.00 0.00 C ATOM 433 O ARG A 225 69.909 -4.309 0.434 1.00 0.00 O ATOM 434 CB ARG A 225 69.551 -1.387 0.126 1.00 0.00 C ATOM 435 CG ARG A 225 70.648 -0.799 1.000 1.00 0.00 C ATOM 436 CD ARG A 225 71.783 -1.778 1.243 1.00 0.00 C ATOM 437 NE ARG A 225 72.859 -1.224 2.050 1.00 0.00 N ATOM 438 CZ ARG A 225 73.949 -1.902 2.432 1.00 0.00 C ATOM 439 NH1 ARG A 225 74.123 -3.171 2.052 1.00 0.00 N ATOM 440 NH2 ARG A 225 74.864 -1.305 3.183 1.00 0.00 N ATOM 0 H ARG A 225 68.535 -0.962 2.381 1.00 0.00 H new ATOM 0 HA ARG A 225 67.819 -2.675 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.017 -1.904 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 225 68.964 -0.569 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 225 71.043 0.100 0.527 1.00 0.00 H new ATOM 0 HG3 ARG A 225 70.223 -0.495 1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 225 71.388 -2.666 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 225 72.187 -2.100 0.283 1.00 0.00 H new ATOM 0 HE ARG A 225 72.778 -0.251 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 225 73.424 -3.629 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 225 74.955 -3.682 2.346 1.00 0.00 H new ATOM 0 HH21 ARG A 225 74.736 -0.334 3.467 1.00 0.00 H new ATOM 0 HH22 ARG A 225 75.696 -1.817 3.477 1.00 0.00 H new ATOM 454 N CYS A 226 69.169 -3.961 2.538 1.00 0.00 N ATOM 455 CA CYS A 226 69.893 -5.005 3.258 1.00 0.00 C ATOM 456 C CYS A 226 70.627 -6.140 2.403 1.00 0.00 C ATOM 457 O CYS A 226 71.851 -6.173 2.401 1.00 0.00 O ATOM 458 CB CYS A 226 68.949 -5.448 4.349 1.00 0.00 C ATOM 459 SG CYS A 226 68.577 -7.116 4.581 1.00 0.00 S ATOM 0 H CYS A 226 68.503 -3.475 3.138 1.00 0.00 H new ATOM 0 HA CYS A 226 70.814 -4.604 3.682 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.354 -5.078 5.291 1.00 0.00 H new ATOM 0 HB3 CYS A 226 68.004 -4.931 4.183 1.00 0.00 H new ATOM 464 N PRO A 227 69.917 -7.028 1.654 1.00 0.00 N ATOM 465 CA PRO A 227 70.523 -8.087 0.843 1.00 0.00 C ATOM 466 C PRO A 227 70.428 -7.735 -0.672 1.00 0.00 C ATOM 467 O PRO A 227 71.369 -7.234 -1.266 1.00 0.00 O ATOM 468 CB PRO A 227 69.561 -9.269 1.178 1.00 0.00 C ATOM 469 CG PRO A 227 68.432 -8.590 1.865 1.00 0.00 C ATOM 470 CD PRO A 227 68.543 -7.159 1.556 1.00 0.00 C ATOM 0 HA PRO A 227 71.579 -8.272 1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.233 -9.790 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 227 70.038 -10.010 1.820 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.476 -8.986 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 227 68.478 -8.757 2.941 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.165 -6.911 0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.007 -6.531 2.268 1.00 0.00 H new ATOM 478 N GLN A 228 69.251 -7.983 -1.248 1.00 0.00 N ATOM 479 CA GLN A 228 68.903 -7.644 -2.603 1.00 0.00 C ATOM 480 C GLN A 228 67.434 -7.206 -2.522 1.00 0.00 C ATOM 481 O GLN A 228 66.612 -7.406 -3.431 1.00 0.00 O ATOM 482 CB GLN A 228 69.043 -8.893 -3.446 1.00 0.00 C ATOM 483 CG GLN A 228 69.004 -8.689 -4.953 1.00 0.00 C ATOM 484 CD GLN A 228 69.224 -9.989 -5.693 1.00 0.00 C ATOM 485 OE1 GLN A 228 69.905 -10.891 -5.195 1.00 0.00 O ATOM 486 NE2 GLN A 228 68.685 -10.103 -6.870 1.00 0.00 N ATOM 0 H GLN A 228 68.491 -8.446 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 228 69.528 -6.866 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 228 69.985 -9.377 -3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.245 -9.583 -3.172 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.042 -8.264 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 228 69.769 -7.969 -5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 228 68.128 -9.339 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 228 68.819 -10.957 -7.412 1.00 0.00 H new ATOM 495 N HIS A 229 67.127 -6.602 -1.387 1.00 0.00 N ATOM 496 CA HIS A 229 65.819 -6.148 -1.082 1.00 0.00 C ATOM 497 C HIS A 229 65.665 -4.711 -1.579 1.00 0.00 C ATOM 498 O HIS A 229 66.065 -3.759 -0.921 1.00 0.00 O ATOM 499 CB HIS A 229 65.421 -6.286 0.421 1.00 0.00 C ATOM 500 CG HIS A 229 65.279 -7.746 1.009 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.536 -8.198 2.417 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.655 -8.760 0.398 1.00 0.00 C ATOM 503 CE1 HIS A 229 65.002 -9.356 2.474 1.00 0.00 C ATOM 504 NE2 HIS A 229 64.481 -9.761 1.307 1.00 0.00 N ATOM 0 H HIS A 229 67.807 -6.419 -0.650 1.00 0.00 H new ATOM 0 HA HIS A 229 65.121 -6.803 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.165 -5.755 1.016 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.471 -5.772 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 229 64.343 -8.782 -0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.973 -9.951 3.375 1.00 0.00 H new ATOM 0 HE2 HIS A 229 64.033 -10.660 1.130 1.00 0.00 H new ATOM 512 N THR A 230 65.018 -4.615 -2.690 1.00 0.00 N ATOM 513 CA THR A 230 64.936 -3.432 -3.539 1.00 0.00 C ATOM 514 C THR A 230 63.882 -2.423 -3.079 1.00 0.00 C ATOM 515 O THR A 230 63.130 -2.679 -2.131 1.00 0.00 O ATOM 516 CB THR A 230 64.602 -3.879 -4.991 1.00 0.00 C ATOM 517 OG1 THR A 230 63.321 -4.539 -5.014 1.00 0.00 O ATOM 518 CG2 THR A 230 65.630 -4.864 -5.493 1.00 0.00 C ATOM 0 H THR A 230 64.492 -5.401 -3.071 1.00 0.00 H new ATOM 0 HA THR A 230 65.902 -2.931 -3.481 1.00 0.00 H new ATOM 0 HB THR A 230 64.595 -2.991 -5.622 1.00 0.00 H new ATOM 0 HG1 THR A 230 63.418 -5.453 -4.675 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.379 -5.165 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.615 -4.398 -5.485 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.639 -5.742 -4.847 1.00 0.00 H new ATOM 526 N ASP A 231 63.817 -1.287 -3.782 1.00 0.00 N ATOM 527 CA ASP A 231 62.831 -0.224 -3.508 1.00 0.00 C ATOM 528 C ASP A 231 61.418 -0.731 -3.745 1.00 0.00 C ATOM 529 O ASP A 231 60.479 -0.300 -3.080 1.00 0.00 O ATOM 530 CB ASP A 231 63.061 1.029 -4.380 1.00 0.00 C ATOM 531 CG ASP A 231 62.759 0.830 -5.861 1.00 0.00 C ATOM 532 OD1 ASP A 231 63.658 0.406 -6.616 1.00 0.00 O ATOM 533 OD2 ASP A 231 61.623 1.101 -6.294 1.00 0.00 O ATOM 0 H ASP A 231 64.444 -1.074 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 231 62.961 0.056 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.439 1.840 -4.001 1.00 0.00 H new ATOM 0 HB3 ASP A 231 64.098 1.346 -4.273 1.00 0.00 H new ATOM 538 N GLU A 232 61.290 -1.698 -4.659 1.00 0.00 N ATOM 539 CA GLU A 232 60.005 -2.307 -5.006 1.00 0.00 C ATOM 540 C GLU A 232 59.512 -2.972 -3.774 1.00 0.00 C ATOM 541 O GLU A 232 58.396 -2.815 -3.343 1.00 0.00 O ATOM 542 CB GLU A 232 60.232 -3.416 -6.019 1.00 0.00 C ATOM 543 CG GLU A 232 61.016 -3.034 -7.241 1.00 0.00 C ATOM 544 CD GLU A 232 61.505 -4.256 -7.949 1.00 0.00 C ATOM 545 OE1 GLU A 232 60.780 -4.823 -8.773 1.00 0.00 O ATOM 546 OE2 GLU A 232 62.637 -4.710 -7.648 1.00 0.00 O ATOM 0 H GLU A 232 62.079 -2.081 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 232 59.320 -1.556 -5.400 1.00 0.00 H new ATOM 0 HB2 GLU A 232 60.748 -4.237 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.261 -3.796 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 232 60.392 -2.443 -7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.862 -2.407 -6.957 1.00 0.00 H new ATOM 553 N GLN A 233 60.445 -3.636 -3.188 1.00 0.00 N ATOM 554 CA GLN A 233 60.297 -4.444 -2.039 1.00 0.00 C ATOM 555 C GLN A 233 59.976 -3.630 -0.806 1.00 0.00 C ATOM 556 O GLN A 233 59.263 -4.090 0.091 1.00 0.00 O ATOM 557 CB GLN A 233 61.556 -5.276 -1.886 1.00 0.00 C ATOM 558 CG GLN A 233 61.611 -6.403 -2.897 1.00 0.00 C ATOM 559 CD GLN A 233 62.824 -7.263 -2.794 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.777 -6.977 -3.600 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.864 -8.220 -2.046 1.00 0.00 N flip ATOM 0 H GLN A 233 61.406 -3.624 -3.531 1.00 0.00 H new ATOM 0 HA GLN A 233 59.442 -5.109 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.431 -4.637 -2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.599 -5.689 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.726 -7.028 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.566 -5.978 -3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 233 62.082 -8.411 -1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.680 -8.832 -2.044 1.00 0.00 H new ATOM 570 N ARG A 234 60.513 -2.440 -0.759 1.00 0.00 N ATOM 571 CA ARG A 234 60.269 -1.520 0.337 1.00 0.00 C ATOM 572 C ARG A 234 58.886 -0.937 0.201 1.00 0.00 C ATOM 573 O ARG A 234 58.143 -0.819 1.177 1.00 0.00 O ATOM 574 CB ARG A 234 61.333 -0.422 0.333 1.00 0.00 C ATOM 575 CG ARG A 234 62.739 -0.969 0.466 1.00 0.00 C ATOM 576 CD ARG A 234 62.967 -1.510 1.819 1.00 0.00 C ATOM 577 NE ARG A 234 63.387 -2.837 1.635 1.00 0.00 N ATOM 578 CZ ARG A 234 62.553 -3.781 1.530 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.419 -3.775 2.225 1.00 0.00 N ATOM 580 NH2 ARG A 234 62.854 -4.755 0.775 1.00 0.00 N ATOM 0 H ARG A 234 61.135 -2.073 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 234 60.329 -2.049 1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.256 0.149 -0.592 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.138 0.270 1.152 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.901 -1.752 -0.275 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.462 -0.180 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.723 -0.931 2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 234 62.056 -1.467 2.416 1.00 0.00 H new ATOM 0 HE ARG A 234 64.385 -3.043 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 234 61.211 -3.000 2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.757 -4.545 2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 234 63.744 -4.758 0.277 1.00 0.00 H new ATOM 0 HH22 ARG A 234 62.206 -5.535 0.666 1.00 0.00 H new ATOM 594 N ARG A 235 58.523 -0.676 -1.024 1.00 0.00 N ATOM 595 CA ARG A 235 57.236 -0.100 -1.359 1.00 0.00 C ATOM 596 C ARG A 235 56.160 -1.106 -1.107 1.00 0.00 C ATOM 597 O ARG A 235 55.185 -0.827 -0.434 1.00 0.00 O ATOM 598 CB ARG A 235 57.221 0.326 -2.819 1.00 0.00 C ATOM 599 CG ARG A 235 55.837 0.701 -3.346 1.00 0.00 C ATOM 600 CD ARG A 235 55.934 1.276 -4.726 1.00 0.00 C ATOM 601 NE ARG A 235 54.641 1.525 -5.352 1.00 0.00 N ATOM 602 CZ ARG A 235 54.427 2.470 -6.282 1.00 0.00 C ATOM 603 NH1 ARG A 235 55.352 3.407 -6.527 1.00 0.00 N ATOM 604 NH2 ARG A 235 53.270 2.513 -6.913 1.00 0.00 N ATOM 0 H ARG A 235 59.116 -0.857 -1.834 1.00 0.00 H new ATOM 0 HA ARG A 235 57.060 0.778 -0.737 1.00 0.00 H new ATOM 0 HB2 ARG A 235 57.889 1.178 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.622 -0.485 -3.427 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.196 -0.180 -3.358 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.371 1.425 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG A 235 56.492 2.211 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 235 56.506 0.594 -5.355 1.00 0.00 H new ATOM 0 HE ARG A 235 53.851 0.946 -5.066 1.00 0.00 H new ATOM 0 HH11 ARG A 235 56.228 3.407 -6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 235 55.180 4.120 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 235 52.544 1.831 -6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 235 53.101 3.228 -7.620 1.00 0.00 H new ATOM 618 N THR A 236 56.425 -2.294 -1.569 1.00 0.00 N ATOM 619 CA THR A 236 55.566 -3.444 -1.493 1.00 0.00 C ATOM 620 C THR A 236 55.008 -3.674 -0.082 1.00 0.00 C ATOM 621 O THR A 236 53.830 -3.965 0.085 1.00 0.00 O ATOM 622 CB THR A 236 56.401 -4.663 -1.995 1.00 0.00 C ATOM 623 OG1 THR A 236 56.338 -4.804 -3.421 1.00 0.00 O ATOM 624 CG2 THR A 236 56.140 -5.970 -1.270 1.00 0.00 C ATOM 0 H THR A 236 57.306 -2.500 -2.041 1.00 0.00 H new ATOM 0 HA THR A 236 54.685 -3.294 -2.117 1.00 0.00 H new ATOM 0 HB THR A 236 57.429 -4.418 -1.728 1.00 0.00 H new ATOM 0 HG1 THR A 236 56.987 -4.200 -3.838 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.769 -6.753 -1.694 1.00 0.00 H new ATOM 0 HG22 THR A 236 56.372 -5.851 -0.212 1.00 0.00 H new ATOM 0 HG23 THR A 236 55.092 -6.246 -1.383 1.00 0.00 H new ATOM 632 N VAL A 237 55.820 -3.461 0.903 1.00 0.00 N ATOM 633 CA VAL A 237 55.424 -3.701 2.257 1.00 0.00 C ATOM 634 C VAL A 237 54.622 -2.544 2.842 1.00 0.00 C ATOM 635 O VAL A 237 53.654 -2.755 3.560 1.00 0.00 O ATOM 636 CB VAL A 237 56.645 -4.043 3.104 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.331 -4.069 4.572 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.171 -5.380 2.669 1.00 0.00 C ATOM 0 H VAL A 237 56.774 -3.117 0.794 1.00 0.00 H new ATOM 0 HA VAL A 237 54.751 -4.558 2.266 1.00 0.00 H new ATOM 0 HB VAL A 237 57.394 -3.266 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.232 -4.317 5.133 1.00 0.00 H new ATOM 0 HG12 VAL A 237 55.968 -3.090 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.565 -4.819 4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 237 58.045 -5.639 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.399 -6.137 2.808 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.451 -5.336 1.616 1.00 0.00 H new ATOM 648 N ARG A 238 54.961 -1.343 2.460 1.00 0.00 N ATOM 649 CA ARG A 238 54.296 -0.163 3.007 1.00 0.00 C ATOM 650 C ARG A 238 52.948 -0.069 2.367 1.00 0.00 C ATOM 651 O ARG A 238 51.957 0.212 3.002 1.00 0.00 O ATOM 652 CB ARG A 238 55.100 1.081 2.684 1.00 0.00 C ATOM 653 CG ARG A 238 56.441 1.180 3.376 1.00 0.00 C ATOM 654 CD ARG A 238 57.362 2.002 2.530 1.00 0.00 C ATOM 655 NE ARG A 238 58.648 2.353 3.136 1.00 0.00 N ATOM 656 CZ ARG A 238 59.602 3.037 2.481 1.00 0.00 C ATOM 657 NH1 ARG A 238 59.428 3.355 1.211 1.00 0.00 N ATOM 658 NH2 ARG A 238 60.724 3.387 3.098 1.00 0.00 N ATOM 0 H ARG A 238 55.690 -1.142 1.775 1.00 0.00 H new ATOM 0 HA ARG A 238 54.206 -0.244 4.090 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.262 1.120 1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.507 1.956 2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.325 1.635 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 238 56.859 0.186 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.555 1.459 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.848 2.924 2.258 1.00 0.00 H new ATOM 0 HE ARG A 238 58.828 2.066 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.571 3.082 0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 238 60.150 3.874 0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.867 3.137 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 238 61.443 3.906 2.594 1.00 0.00 H new ATOM 672 N VAL A 239 52.945 -0.370 1.120 1.00 0.00 N ATOM 673 CA VAL A 239 51.802 -0.376 0.302 1.00 0.00 C ATOM 674 C VAL A 239 50.833 -1.498 0.723 1.00 0.00 C ATOM 675 O VAL A 239 49.613 -1.355 0.639 1.00 0.00 O ATOM 676 CB VAL A 239 52.307 -0.447 -1.155 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.458 -1.235 -2.068 1.00 0.00 C ATOM 678 CG2 VAL A 239 52.506 0.949 -1.678 1.00 0.00 C ATOM 0 H VAL A 239 53.794 -0.633 0.620 1.00 0.00 H new ATOM 0 HA VAL A 239 51.201 0.528 0.406 1.00 0.00 H new ATOM 0 HB VAL A 239 53.253 -0.987 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 239 51.893 -1.227 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 239 51.393 -2.262 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.460 -0.799 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 239 52.863 0.905 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 239 51.559 1.488 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 239 53.240 1.467 -1.061 1.00 0.00 H new ATOM 688 N TYR A 240 51.389 -2.580 1.198 1.00 0.00 N ATOM 689 CA TYR A 240 50.602 -3.677 1.757 1.00 0.00 C ATOM 690 C TYR A 240 50.050 -3.328 3.160 1.00 0.00 C ATOM 691 O TYR A 240 48.846 -3.420 3.405 1.00 0.00 O ATOM 692 CB TYR A 240 51.476 -4.943 1.822 1.00 0.00 C ATOM 693 CG TYR A 240 50.895 -6.114 2.582 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.042 -7.027 1.978 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.227 -6.312 3.911 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.539 -8.102 2.688 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.733 -7.366 4.622 1.00 0.00 C ATOM 698 CZ TYR A 240 49.890 -8.265 4.014 1.00 0.00 C ATOM 699 OH TYR A 240 49.399 -9.340 4.732 1.00 0.00 O ATOM 0 H TYR A 240 52.397 -2.738 1.214 1.00 0.00 H new ATOM 0 HA TYR A 240 49.744 -3.853 1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.688 -5.266 0.803 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.430 -4.678 2.277 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.768 -6.897 0.942 1.00 0.00 H new ATOM 0 HD2 TYR A 240 51.894 -5.615 4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 240 48.877 -8.808 2.209 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.004 -7.494 5.660 1.00 0.00 H new ATOM 0 HH TYR A 240 49.744 -9.306 5.649 1.00 0.00 H new ATOM 709 N PHE A 241 50.932 -2.908 4.054 1.00 0.00 N ATOM 710 CA PHE A 241 50.574 -2.640 5.444 1.00 0.00 C ATOM 711 C PHE A 241 49.908 -1.292 5.687 1.00 0.00 C ATOM 712 O PHE A 241 48.823 -1.230 6.261 1.00 0.00 O ATOM 713 CB PHE A 241 51.815 -2.697 6.316 1.00 0.00 C ATOM 714 CG PHE A 241 52.309 -4.059 6.716 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.536 -4.928 7.480 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.572 -4.433 6.387 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.050 -6.156 7.889 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.088 -5.650 6.777 1.00 0.00 C ATOM 719 CZ PHE A 241 53.342 -6.513 7.529 1.00 0.00 C ATOM 0 H PHE A 241 51.915 -2.743 3.840 1.00 0.00 H new ATOM 0 HA PHE A 241 49.847 -3.412 5.697 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.621 -2.186 5.790 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.616 -2.129 7.225 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.531 -4.648 7.758 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.187 -3.761 5.806 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.447 -6.827 8.483 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.091 -5.924 6.486 1.00 0.00 H new ATOM 0 HZ PHE A 241 53.753 -7.462 7.840 1.00 0.00 H new ATOM 729 N LEU A 242 50.521 -0.231 5.241 1.00 0.00 N ATOM 730 CA LEU A 242 50.057 1.101 5.591 1.00 0.00 C ATOM 731 C LEU A 242 49.246 1.793 4.503 1.00 0.00 C ATOM 732 O LEU A 242 48.698 2.872 4.733 1.00 0.00 O ATOM 733 CB LEU A 242 51.183 2.001 6.173 1.00 0.00 C ATOM 734 CG LEU A 242 52.569 1.915 5.525 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.180 3.298 5.432 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.491 0.995 6.357 1.00 0.00 C ATOM 0 H LEU A 242 51.342 -0.252 4.636 1.00 0.00 H new ATOM 0 HA LEU A 242 49.345 0.938 6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.849 3.037 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.292 1.761 7.231 1.00 0.00 H new ATOM 0 HG LEU A 242 52.463 1.499 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.165 3.230 4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.539 3.939 4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.276 3.721 6.432 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.473 0.942 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.593 1.397 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.058 -0.004 6.407 1.00 0.00 H new ATOM 748 N GLY A 243 49.166 1.192 3.340 1.00 0.00 N ATOM 749 CA GLY A 243 48.314 1.733 2.306 1.00 0.00 C ATOM 750 C GLY A 243 49.002 1.853 0.961 1.00 0.00 C ATOM 751 O GLY A 243 50.172 2.209 0.899 1.00 0.00 O ATOM 0 H GLY A 243 49.671 0.342 3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.435 1.098 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.961 2.717 2.614 1.00 0.00 H new ATOM 755 N PRO A 244 48.285 1.563 -0.152 1.00 0.00 N ATOM 756 CA PRO A 244 48.829 1.653 -1.520 1.00 0.00 C ATOM 757 C PRO A 244 49.273 3.068 -1.901 1.00 0.00 C ATOM 758 O PRO A 244 50.058 3.253 -2.835 1.00 0.00 O ATOM 759 CB PRO A 244 47.659 1.211 -2.410 1.00 0.00 C ATOM 760 CG PRO A 244 46.453 1.374 -1.559 1.00 0.00 C ATOM 761 CD PRO A 244 46.901 1.068 -0.166 1.00 0.00 C ATOM 0 HA PRO A 244 49.725 1.041 -1.625 1.00 0.00 H new ATOM 0 HB2 PRO A 244 47.594 1.822 -3.310 1.00 0.00 H new ATOM 0 HB3 PRO A 244 47.777 0.177 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 244 46.057 2.387 -1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 244 45.657 0.698 -1.873 1.00 0.00 H new ATOM 0 HD2 PRO A 244 46.284 1.572 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 244 46.851 0.001 0.050 1.00 0.00 H new ATOM 769 N SER A 245 48.791 4.049 -1.158 1.00 0.00 N ATOM 770 CA SER A 245 49.128 5.431 -1.397 1.00 0.00 C ATOM 771 C SER A 245 50.470 5.799 -0.738 1.00 0.00 C ATOM 772 O SER A 245 50.903 6.959 -0.778 1.00 0.00 O ATOM 773 CB SER A 245 48.008 6.318 -0.878 1.00 0.00 C ATOM 774 OG SER A 245 46.750 5.897 -1.414 1.00 0.00 O ATOM 0 H SER A 245 48.155 3.904 -0.373 1.00 0.00 H new ATOM 0 HA SER A 245 49.241 5.587 -2.470 1.00 0.00 H new ATOM 0 HB2 SER A 245 47.978 6.278 0.211 1.00 0.00 H new ATOM 0 HB3 SER A 245 48.199 7.355 -1.154 1.00 0.00 H new ATOM 0 HG SER A 245 46.038 6.476 -1.070 1.00 0.00 H new ATOM 780 N ALA A 246 51.138 4.814 -0.146 1.00 0.00 N ATOM 781 CA ALA A 246 52.434 5.031 0.454 1.00 0.00 C ATOM 782 C ALA A 246 53.515 5.075 -0.620 1.00 0.00 C ATOM 783 O ALA A 246 54.306 4.147 -0.787 1.00 0.00 O ATOM 784 CB ALA A 246 52.751 3.988 1.506 1.00 0.00 C ATOM 0 H ALA A 246 50.795 3.856 -0.073 1.00 0.00 H new ATOM 0 HA ALA A 246 52.409 5.996 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 246 53.734 4.188 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 246 51.999 4.026 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 246 52.748 2.998 1.050 1.00 0.00 H new ATOM 790 N VAL A 247 53.462 6.125 -1.393 1.00 0.00 N ATOM 791 CA VAL A 247 54.410 6.409 -2.453 1.00 0.00 C ATOM 792 C VAL A 247 54.948 7.814 -2.151 1.00 0.00 C ATOM 793 O VAL A 247 55.418 8.560 -2.999 1.00 0.00 O ATOM 794 CB VAL A 247 53.701 6.364 -3.853 1.00 0.00 C ATOM 795 CG1 VAL A 247 54.699 6.472 -5.004 1.00 0.00 C ATOM 796 CG2 VAL A 247 52.862 5.099 -4.011 1.00 0.00 C ATOM 0 H VAL A 247 52.735 6.835 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 247 55.213 5.673 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 247 53.041 7.231 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 247 54.165 6.437 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 247 55.242 7.414 -4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 247 55.404 5.642 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 247 52.385 5.099 -4.991 1.00 0.00 H new ATOM 0 HG22 VAL A 247 53.504 4.223 -3.920 1.00 0.00 H new ATOM 0 HG23 VAL A 247 52.097 5.070 -3.235 1.00 0.00 H new ATOM 806 N LEU A 248 54.868 8.122 -0.896 1.00 0.00 N ATOM 807 CA LEU A 248 55.283 9.382 -0.336 1.00 0.00 C ATOM 808 C LEU A 248 56.634 9.200 0.317 1.00 0.00 C ATOM 809 O LEU A 248 57.142 8.067 0.379 1.00 0.00 O ATOM 810 CB LEU A 248 54.235 9.844 0.703 1.00 0.00 C ATOM 811 CG LEU A 248 52.835 10.175 0.168 1.00 0.00 C ATOM 812 CD1 LEU A 248 51.969 10.716 1.281 1.00 0.00 C ATOM 813 CD2 LEU A 248 52.910 11.179 -0.971 1.00 0.00 C ATOM 0 H LEU A 248 54.496 7.478 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 248 55.362 10.141 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 248 54.136 9.063 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 248 54.624 10.728 1.209 1.00 0.00 H new ATOM 0 HG LEU A 248 52.391 9.257 -0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 248 50.978 10.948 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 248 51.883 9.970 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 248 52.420 11.622 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 248 51.905 11.396 -1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 248 53.374 12.099 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 248 53.505 10.763 -1.784 1.00 0.00 H new ATOM 825 N PRO A 249 57.259 10.297 0.770 1.00 0.00 N ATOM 826 CA PRO A 249 58.534 10.261 1.489 1.00 0.00 C ATOM 827 C PRO A 249 58.406 9.574 2.859 1.00 0.00 C ATOM 828 O PRO A 249 57.379 8.950 3.176 1.00 0.00 O ATOM 829 CB PRO A 249 58.878 11.756 1.634 1.00 0.00 C ATOM 830 CG PRO A 249 58.079 12.400 0.558 1.00 0.00 C ATOM 831 CD PRO A 249 56.810 11.684 0.582 1.00 0.00 C ATOM 0 HA PRO A 249 59.301 9.686 0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 249 58.607 12.137 2.619 1.00 0.00 H new ATOM 0 HB3 PRO A 249 59.945 11.937 1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 249 57.940 13.464 0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 249 58.569 12.310 -0.411 1.00 0.00 H new ATOM 0 HD2 PRO A 249 56.165 12.020 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 249 56.249 11.812 -0.344 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 66.257 -7.222 4.232 1.00 0.00 ZN