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 178:sc= 0.931 USER MOD Set 1.2: A 233 GLN :FLIP amide:sc= -3.98! C(o=-4.6!,f=-3.1!) USER MOD Single : A 203 SER OG : rot 72:sc= 0.821 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN :FLIP amide:sc= -0.119 F(o=-1.3!,f=-0.12) USER MOD Single : A 213 SER OG : rot 180:sc=0.000867 USER MOD Single : A 215 HIS : no HD1:sc= -0.0404 X(o=-0.04,f=-0.18) USER MOD Single : A 216 THR OG1 : rot -9:sc= 1.1 USER MOD Single : A 217 LYS NZ :NH3+ 137:sc= 1.03 (180deg=0.663) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl 147:sc= -0.0556 (180deg=-0.335) USER MOD Single : A 221 THR OG1 : rot -37:sc= 0.519 USER MOD Single : A 223 SER OG : rot 180:sc= 0 USER MOD Single : A 228 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.63) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 198 51.001 -0.987 14.444 1.00 0.00 N ATOM 2 CA PRO A 198 50.943 -0.282 13.151 1.00 0.00 C ATOM 3 C PRO A 198 51.845 0.967 13.031 1.00 0.00 C ATOM 4 O PRO A 198 52.554 1.107 12.039 1.00 0.00 O ATOM 5 CB PRO A 198 49.460 0.105 13.006 1.00 0.00 C ATOM 6 CG PRO A 198 48.869 -0.095 14.359 1.00 0.00 C ATOM 7 CD PRO A 198 49.652 -1.199 14.988 1.00 0.00 C ATOM 0 HA PRO A 198 51.323 -0.932 12.363 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.353 1.139 12.679 1.00 0.00 H new ATOM 0 HB3 PRO A 198 48.962 -0.517 12.263 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.934 0.817 14.952 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.813 -0.356 14.289 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.639 -1.136 16.076 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.257 -2.179 14.721 1.00 0.00 H new ATOM 15 N GLU A 199 51.837 1.849 14.024 1.00 0.00 N ATOM 16 CA GLU A 199 52.606 3.098 13.940 1.00 0.00 C ATOM 17 C GLU A 199 54.118 2.885 13.982 1.00 0.00 C ATOM 18 O GLU A 199 54.851 3.504 13.209 1.00 0.00 O ATOM 19 CB GLU A 199 52.158 4.117 14.982 1.00 0.00 C ATOM 20 CG GLU A 199 50.799 4.741 14.697 1.00 0.00 C ATOM 21 CD GLU A 199 50.784 5.616 13.448 1.00 0.00 C ATOM 22 OE1 GLU A 199 51.141 6.818 13.538 1.00 0.00 O ATOM 23 OE2 GLU A 199 50.380 5.141 12.371 1.00 0.00 O ATOM 0 H GLU A 199 51.314 1.730 14.891 1.00 0.00 H new ATOM 0 HA GLU A 199 52.385 3.510 12.955 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.126 3.633 15.958 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.904 4.909 15.044 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.060 3.948 14.585 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.496 5.341 15.555 1.00 0.00 H new ATOM 30 N GLU A 200 54.604 2.017 14.856 1.00 0.00 N ATOM 31 CA GLU A 200 55.985 1.737 14.904 1.00 0.00 C ATOM 32 C GLU A 200 56.422 0.927 13.725 1.00 0.00 C ATOM 33 O GLU A 200 57.550 1.027 13.295 1.00 0.00 O ATOM 34 CB GLU A 200 56.372 1.094 16.191 1.00 0.00 C ATOM 35 CG GLU A 200 55.602 -0.144 16.616 1.00 0.00 C ATOM 36 CD GLU A 200 54.426 0.166 17.503 1.00 0.00 C ATOM 37 OE1 GLU A 200 53.607 1.017 17.157 1.00 0.00 O ATOM 38 OE2 GLU A 200 54.313 -0.442 18.582 1.00 0.00 O ATOM 0 H GLU A 200 54.040 1.505 15.534 1.00 0.00 H new ATOM 0 HA GLU A 200 56.511 2.690 14.853 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.428 0.829 16.131 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.275 1.838 16.981 1.00 0.00 H new ATOM 0 HG2 GLU A 200 55.251 -0.669 15.727 1.00 0.00 H new ATOM 0 HG3 GLU A 200 56.276 -0.821 17.140 1.00 0.00 H new ATOM 45 N LEU A 201 55.528 0.127 13.218 1.00 0.00 N ATOM 46 CA LEU A 201 55.747 -0.586 11.975 1.00 0.00 C ATOM 47 C LEU A 201 55.929 0.412 10.827 1.00 0.00 C ATOM 48 O LEU A 201 56.815 0.295 9.994 1.00 0.00 O ATOM 49 CB LEU A 201 54.564 -1.518 11.698 1.00 0.00 C ATOM 50 CG LEU A 201 54.426 -1.972 10.268 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.049 -3.419 10.207 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.369 -1.156 9.563 1.00 0.00 C ATOM 0 H LEU A 201 54.622 -0.055 13.650 1.00 0.00 H new ATOM 0 HA LEU A 201 56.652 -1.187 12.057 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.659 -2.398 12.334 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.645 -1.010 11.991 1.00 0.00 H new ATOM 0 HG LEU A 201 55.388 -1.832 9.774 1.00 0.00 H new ATOM 0 HD11 LEU A 201 53.954 -3.727 9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.820 -4.017 10.693 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.098 -3.569 10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.278 -1.493 8.530 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.413 -1.282 10.071 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.652 -0.103 9.578 1.00 0.00 H new ATOM 64 N ARG A 202 55.068 1.366 10.809 1.00 0.00 N ATOM 65 CA ARG A 202 55.059 2.433 9.882 1.00 0.00 C ATOM 66 C ARG A 202 56.342 3.258 10.012 1.00 0.00 C ATOM 67 O ARG A 202 56.929 3.668 9.010 1.00 0.00 O ATOM 68 CB ARG A 202 53.811 3.237 10.174 1.00 0.00 C ATOM 69 CG ARG A 202 53.615 4.458 9.377 1.00 0.00 C ATOM 70 CD ARG A 202 52.302 5.101 9.772 1.00 0.00 C ATOM 71 NE ARG A 202 51.953 6.269 8.969 1.00 0.00 N ATOM 72 CZ ARG A 202 50.826 6.972 9.138 1.00 0.00 C ATOM 73 NH1 ARG A 202 50.036 6.723 10.187 1.00 0.00 N ATOM 74 NH2 ARG A 202 50.519 7.956 8.296 1.00 0.00 N ATOM 0 H ARG A 202 54.306 1.423 11.484 1.00 0.00 H new ATOM 0 HA ARG A 202 55.037 2.084 8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 202 52.946 2.590 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 202 53.824 3.516 11.228 1.00 0.00 H new ATOM 0 HG2 ARG A 202 54.439 5.152 9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 202 53.611 4.217 8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 202 51.506 4.362 9.686 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.353 5.395 10.821 1.00 0.00 H new ATOM 0 HE ARG A 202 52.602 6.565 8.240 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.292 5.998 10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 202 49.177 7.258 10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 202 51.143 8.176 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 202 49.660 8.490 8.427 1.00 0.00 H new ATOM 88 N SER A 203 56.800 3.438 11.240 1.00 0.00 N ATOM 89 CA SER A 203 58.047 4.142 11.487 1.00 0.00 C ATOM 90 C SER A 203 59.249 3.232 11.134 1.00 0.00 C ATOM 91 O SER A 203 60.351 3.707 10.811 1.00 0.00 O ATOM 92 CB SER A 203 58.109 4.585 12.953 1.00 0.00 C ATOM 93 OG SER A 203 56.989 5.408 13.284 1.00 0.00 O ATOM 0 H SER A 203 56.327 3.106 12.081 1.00 0.00 H new ATOM 0 HA SER A 203 58.094 5.029 10.855 1.00 0.00 H new ATOM 0 HB2 SER A 203 58.126 3.709 13.601 1.00 0.00 H new ATOM 0 HB3 SER A 203 59.034 5.133 13.133 1.00 0.00 H new ATOM 0 HG SER A 203 56.179 4.858 13.322 1.00 0.00 H new ATOM 99 N LEU A 204 59.007 1.930 11.185 1.00 0.00 N ATOM 100 CA LEU A 204 59.991 0.913 10.885 1.00 0.00 C ATOM 101 C LEU A 204 60.388 1.010 9.428 1.00 0.00 C ATOM 102 O LEU A 204 61.539 1.251 9.120 1.00 0.00 O ATOM 103 CB LEU A 204 59.412 -0.497 11.229 1.00 0.00 C ATOM 104 CG LEU A 204 60.359 -1.707 11.128 1.00 0.00 C ATOM 105 CD1 LEU A 204 60.016 -2.731 12.166 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.267 -2.370 9.757 1.00 0.00 C ATOM 0 H LEU A 204 58.097 1.548 11.443 1.00 0.00 H new ATOM 0 HA LEU A 204 60.884 1.066 11.491 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.023 -0.460 12.247 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.563 -0.680 10.570 1.00 0.00 H new ATOM 0 HG LEU A 204 61.371 -1.335 11.285 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.696 -3.579 12.079 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.111 -2.290 13.158 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.991 -3.071 12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.947 -3.221 9.718 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.247 -2.713 9.587 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.541 -1.650 8.986 1.00 0.00 H new ATOM 118 N LEU A 205 59.407 0.923 8.549 1.00 0.00 N ATOM 119 CA LEU A 205 59.615 0.921 7.083 1.00 0.00 C ATOM 120 C LEU A 205 60.316 2.173 6.498 1.00 0.00 C ATOM 121 O LEU A 205 60.603 2.218 5.307 1.00 0.00 O ATOM 122 CB LEU A 205 58.307 0.653 6.335 1.00 0.00 C ATOM 123 CG LEU A 205 57.857 -0.817 6.168 1.00 0.00 C ATOM 124 CD1 LEU A 205 58.892 -1.604 5.410 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.568 -1.490 7.485 1.00 0.00 C ATOM 0 H LEU A 205 58.426 0.850 8.819 1.00 0.00 H new ATOM 0 HA LEU A 205 60.316 0.102 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 205 57.511 1.190 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 205 58.395 1.091 5.341 1.00 0.00 H new ATOM 0 HG LEU A 205 56.926 -0.795 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.558 -2.636 5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 205 59.033 -1.164 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.836 -1.583 5.955 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.257 -2.519 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.467 -1.484 8.101 1.00 0.00 H new ATOM 0 HD23 LEU A 205 56.771 -0.954 8.000 1.00 0.00 H new ATOM 137 N THR A 206 60.568 3.166 7.313 1.00 0.00 N ATOM 138 CA THR A 206 61.278 4.333 6.899 1.00 0.00 C ATOM 139 C THR A 206 62.819 4.058 6.919 1.00 0.00 C ATOM 140 O THR A 206 63.610 4.727 6.242 1.00 0.00 O ATOM 141 CB THR A 206 60.924 5.460 7.877 1.00 0.00 C ATOM 142 OG1 THR A 206 59.490 5.533 7.991 1.00 0.00 O ATOM 143 CG2 THR A 206 61.449 6.785 7.398 1.00 0.00 C ATOM 0 H THR A 206 60.280 3.180 8.291 1.00 0.00 H new ATOM 0 HA THR A 206 61.001 4.612 5.882 1.00 0.00 H new ATOM 0 HB THR A 206 61.381 5.243 8.842 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.247 6.249 8.615 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.181 7.563 8.113 1.00 0.00 H new ATOM 0 HG22 THR A 206 62.534 6.735 7.306 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.013 7.020 6.427 1.00 0.00 H new ATOM 151 N THR A 207 63.216 3.066 7.685 1.00 0.00 N ATOM 152 CA THR A 207 64.631 2.758 7.880 1.00 0.00 C ATOM 153 C THR A 207 64.911 1.234 7.897 1.00 0.00 C ATOM 154 O THR A 207 65.974 0.766 7.466 1.00 0.00 O ATOM 155 CB THR A 207 65.135 3.445 9.201 1.00 0.00 C ATOM 156 OG1 THR A 207 66.428 2.968 9.610 1.00 0.00 O ATOM 157 CG2 THR A 207 64.129 3.279 10.342 1.00 0.00 C ATOM 0 H THR A 207 62.579 2.450 8.190 1.00 0.00 H new ATOM 0 HA THR A 207 65.184 3.156 7.029 1.00 0.00 H new ATOM 0 HB THR A 207 65.230 4.506 8.971 1.00 0.00 H new ATOM 0 HG1 THR A 207 66.700 3.424 10.434 1.00 0.00 H new ATOM 0 HG21 THR A 207 64.512 3.767 11.238 1.00 0.00 H new ATOM 0 HG22 THR A 207 63.180 3.734 10.059 1.00 0.00 H new ATOM 0 HG23 THR A 207 63.978 2.218 10.542 1.00 0.00 H new ATOM 165 N GLN A 208 63.944 0.493 8.327 1.00 0.00 N ATOM 166 CA GLN A 208 64.032 -0.925 8.502 1.00 0.00 C ATOM 167 C GLN A 208 63.341 -1.626 7.337 1.00 0.00 C ATOM 168 O GLN A 208 62.217 -1.296 7.000 1.00 0.00 O ATOM 169 CB GLN A 208 63.357 -1.249 9.823 1.00 0.00 C ATOM 170 CG GLN A 208 64.077 -0.684 11.040 1.00 0.00 C ATOM 171 CD GLN A 208 65.290 -1.480 11.414 1.00 0.00 C ATOM 172 OE1 GLN A 208 65.177 -2.770 11.314 1.00 0.00 O flip ATOM 173 NE2 GLN A 208 66.287 -0.935 11.876 1.00 0.00 N flip ATOM 0 H GLN A 208 63.031 0.872 8.578 1.00 0.00 H new ATOM 0 HA GLN A 208 65.067 -1.268 8.519 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.338 -0.862 9.804 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.284 -2.332 9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 208 64.371 0.346 10.838 1.00 0.00 H new ATOM 0 HG3 GLN A 208 63.389 -0.659 11.885 1.00 0.00 H new ATOM 0 HE21 GLN A 208 66.331 0.082 11.935 1.00 0.00 H new ATOM 0 HE22 GLN A 208 67.072 -1.499 12.201 1.00 0.00 H new ATOM 182 N CYS A 209 64.060 -2.583 6.760 1.00 0.00 N ATOM 183 CA CYS A 209 63.707 -3.372 5.563 1.00 0.00 C ATOM 184 C CYS A 209 62.238 -3.726 5.532 1.00 0.00 C ATOM 185 O CYS A 209 61.517 -3.207 4.713 1.00 0.00 O ATOM 186 CB CYS A 209 64.620 -4.624 5.513 1.00 0.00 C ATOM 187 SG CYS A 209 65.151 -5.198 3.851 1.00 0.00 S ATOM 0 H CYS A 209 64.969 -2.854 7.135 1.00 0.00 H new ATOM 0 HA CYS A 209 63.877 -2.773 4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.513 -4.416 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.098 -5.445 6.005 1.00 0.00 H new ATOM 192 N GLY A 210 61.820 -4.634 6.360 1.00 0.00 N ATOM 193 CA GLY A 210 60.431 -4.907 6.513 1.00 0.00 C ATOM 194 C GLY A 210 59.857 -5.777 5.442 1.00 0.00 C ATOM 195 O GLY A 210 58.722 -6.159 5.527 1.00 0.00 O ATOM 0 H GLY A 210 62.432 -5.203 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.270 -5.385 7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 210 59.886 -3.963 6.530 1.00 0.00 H new ATOM 199 N VAL A 211 60.664 -6.142 4.454 1.00 0.00 N ATOM 200 CA VAL A 211 60.157 -6.937 3.352 1.00 0.00 C ATOM 201 C VAL A 211 59.805 -8.335 3.799 1.00 0.00 C ATOM 202 O VAL A 211 60.580 -8.973 4.510 1.00 0.00 O ATOM 203 CB VAL A 211 61.209 -6.954 2.274 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.525 -7.391 2.748 1.00 0.00 C ATOM 205 CG2 VAL A 211 60.783 -7.561 0.947 1.00 0.00 C ATOM 0 H VAL A 211 61.654 -5.904 4.396 1.00 0.00 H new ATOM 0 HA VAL A 211 59.237 -6.497 2.968 1.00 0.00 H new ATOM 0 HB VAL A 211 61.333 -5.901 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.233 -7.379 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 211 62.872 -6.717 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.451 -8.403 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.616 -7.522 0.245 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.486 -8.599 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 211 59.941 -6.999 0.543 1.00 0.00 H new ATOM 215 N ILE A 212 58.667 -8.790 3.404 1.00 0.00 N ATOM 216 CA ILE A 212 58.198 -10.076 3.807 1.00 0.00 C ATOM 217 C ILE A 212 58.891 -11.180 3.054 1.00 0.00 C ATOM 218 O ILE A 212 59.168 -11.062 1.855 1.00 0.00 O ATOM 219 CB ILE A 212 56.662 -10.212 3.691 1.00 0.00 C ATOM 220 CG1 ILE A 212 55.990 -9.181 4.605 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.200 -11.653 4.039 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.495 -9.121 4.451 1.00 0.00 C ATOM 0 H ILE A 212 58.031 -8.281 2.790 1.00 0.00 H new ATOM 0 HA ILE A 212 58.450 -10.174 4.863 1.00 0.00 H new ATOM 0 HB ILE A 212 56.366 -10.019 2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.231 -9.416 5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.408 -8.196 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.116 -11.719 3.949 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.665 -12.360 3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.495 -11.893 5.061 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.089 -8.370 5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.245 -8.855 3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.065 -10.094 4.689 1.00 0.00 H new ATOM 234 N SER A 213 59.247 -12.190 3.807 1.00 0.00 N ATOM 235 CA SER A 213 59.806 -13.408 3.365 1.00 0.00 C ATOM 236 C SER A 213 58.901 -14.090 2.327 1.00 0.00 C ATOM 237 O SER A 213 57.946 -14.797 2.686 1.00 0.00 O ATOM 238 CB SER A 213 59.952 -14.275 4.587 1.00 0.00 C ATOM 239 OG SER A 213 60.803 -13.672 5.548 1.00 0.00 O ATOM 0 H SER A 213 59.138 -12.163 4.821 1.00 0.00 H new ATOM 0 HA SER A 213 60.767 -13.239 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 213 58.971 -14.454 5.028 1.00 0.00 H new ATOM 0 HB3 SER A 213 60.355 -15.247 4.300 1.00 0.00 H new ATOM 0 HG SER A 213 60.878 -14.256 6.331 1.00 0.00 H new ATOM 245 N GLU A 214 59.167 -13.744 1.078 1.00 0.00 N ATOM 246 CA GLU A 214 58.566 -14.274 -0.144 1.00 0.00 C ATOM 247 C GLU A 214 57.057 -14.500 -0.123 1.00 0.00 C ATOM 248 O GLU A 214 56.301 -13.608 -0.504 1.00 0.00 O ATOM 249 CB GLU A 214 59.331 -15.478 -0.661 1.00 0.00 C ATOM 250 CG GLU A 214 60.765 -15.145 -1.008 1.00 0.00 C ATOM 251 CD GLU A 214 61.541 -16.335 -1.466 1.00 0.00 C ATOM 252 OE1 GLU A 214 61.362 -16.757 -2.614 1.00 0.00 O ATOM 253 OE2 GLU A 214 62.352 -16.874 -0.684 1.00 0.00 O ATOM 0 H GLU A 214 59.864 -13.028 0.872 1.00 0.00 H new ATOM 0 HA GLU A 214 58.669 -13.459 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 214 59.316 -16.265 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 214 58.829 -15.872 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 214 60.778 -14.386 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 214 61.254 -14.712 -0.135 1.00 0.00 H new ATOM 260 N HIS A 215 56.643 -15.683 0.319 1.00 0.00 N ATOM 261 CA HIS A 215 55.239 -16.085 0.338 1.00 0.00 C ATOM 262 C HIS A 215 54.432 -15.129 1.224 1.00 0.00 C ATOM 263 O HIS A 215 53.848 -14.162 0.736 1.00 0.00 O ATOM 264 CB HIS A 215 55.106 -17.539 0.843 1.00 0.00 C ATOM 265 CG HIS A 215 55.949 -18.536 0.100 1.00 0.00 C ATOM 266 ND1 HIS A 215 57.162 -18.963 0.605 1.00 0.00 N ATOM 267 CD2 HIS A 215 55.717 -19.155 -1.075 1.00 0.00 C ATOM 268 CE1 HIS A 215 57.631 -19.833 -0.284 1.00 0.00 C ATOM 269 NE2 HIS A 215 56.791 -19.975 -1.308 1.00 0.00 N ATOM 0 H HIS A 215 57.277 -16.397 0.677 1.00 0.00 H new ATOM 0 HA HIS A 215 54.842 -16.037 -0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 215 55.375 -17.570 1.899 1.00 0.00 H new ATOM 0 HB3 HIS A 215 54.061 -17.841 0.772 1.00 0.00 H new ATOM 0 HD2 HIS A 215 54.852 -19.029 -1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 215 58.571 -20.357 -0.188 1.00 0.00 H new ATOM 0 HE2 HIS A 215 56.923 -20.582 -2.117 1.00 0.00 H new ATOM 277 N THR A 216 54.409 -15.407 2.510 1.00 0.00 N ATOM 278 CA THR A 216 53.836 -14.556 3.529 1.00 0.00 C ATOM 279 C THR A 216 54.334 -15.068 4.878 1.00 0.00 C ATOM 280 O THR A 216 53.636 -15.778 5.600 1.00 0.00 O ATOM 281 CB THR A 216 52.252 -14.501 3.523 1.00 0.00 C ATOM 282 OG1 THR A 216 51.756 -14.059 2.240 1.00 0.00 O ATOM 283 CG2 THR A 216 51.732 -13.536 4.588 1.00 0.00 C ATOM 0 H THR A 216 54.805 -16.267 2.889 1.00 0.00 H new ATOM 0 HA THR A 216 54.154 -13.533 3.327 1.00 0.00 H new ATOM 0 HB THR A 216 51.899 -15.511 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 216 52.504 -13.741 1.692 1.00 0.00 H new ATOM 0 HG21 THR A 216 50.642 -13.518 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 216 52.066 -13.866 5.572 1.00 0.00 H new ATOM 0 HG23 THR A 216 52.116 -12.535 4.391 1.00 0.00 H new ATOM 291 N LYS A 217 55.599 -14.851 5.148 1.00 0.00 N ATOM 292 CA LYS A 217 56.124 -15.271 6.406 1.00 0.00 C ATOM 293 C LYS A 217 56.361 -14.128 7.360 1.00 0.00 C ATOM 294 O LYS A 217 55.486 -13.798 8.141 1.00 0.00 O ATOM 295 CB LYS A 217 57.333 -16.177 6.245 1.00 0.00 C ATOM 296 CG LYS A 217 57.021 -17.628 5.863 1.00 0.00 C ATOM 297 CD LYS A 217 56.628 -18.527 7.063 1.00 0.00 C ATOM 298 CE LYS A 217 55.327 -18.143 7.782 1.00 0.00 C ATOM 299 NZ LYS A 217 54.134 -18.186 6.902 1.00 0.00 N ATOM 0 H LYS A 217 56.264 -14.396 4.523 1.00 0.00 H new ATOM 0 HA LYS A 217 55.349 -15.876 6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 217 57.986 -15.751 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 217 57.892 -16.178 7.180 1.00 0.00 H new ATOM 0 HG2 LYS A 217 56.209 -17.635 5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 217 57.893 -18.058 5.370 1.00 0.00 H new ATOM 0 HD2 LYS A 217 56.537 -19.554 6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 217 57.441 -18.510 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 217 55.173 -18.818 8.624 1.00 0.00 H new ATOM 0 HE3 LYS A 217 55.430 -17.139 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 53.344 -18.632 7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 53.868 -17.218 6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 54.352 -18.738 6.048 1.00 0.00 H new ATOM 313 N LYS A 218 57.510 -13.508 7.291 1.00 0.00 N ATOM 314 CA LYS A 218 57.825 -12.422 8.196 1.00 0.00 C ATOM 315 C LYS A 218 58.431 -11.284 7.475 1.00 0.00 C ATOM 316 O LYS A 218 58.759 -11.398 6.319 1.00 0.00 O ATOM 317 CB LYS A 218 58.778 -12.865 9.278 1.00 0.00 C ATOM 318 CG LYS A 218 58.197 -13.842 10.241 1.00 0.00 C ATOM 319 CD LYS A 218 59.216 -14.174 11.282 1.00 0.00 C ATOM 320 CE LYS A 218 58.676 -15.105 12.340 1.00 0.00 C ATOM 321 NZ LYS A 218 59.719 -15.452 13.314 1.00 0.00 N ATOM 0 H LYS A 218 58.245 -13.732 6.621 1.00 0.00 H new ATOM 0 HA LYS A 218 56.883 -12.110 8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 218 59.657 -13.310 8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 218 59.118 -11.988 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 218 57.306 -13.423 10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 218 57.887 -14.746 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 218 60.082 -14.633 10.805 1.00 0.00 H new ATOM 0 HD3 LYS A 218 59.562 -13.254 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 218 57.837 -14.633 12.852 1.00 0.00 H new ATOM 0 HE3 LYS A 218 58.294 -16.012 11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 59.324 -16.093 14.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 60.507 -15.923 12.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 60.065 -14.587 13.775 1.00 0.00 H new ATOM 335 N MET A 219 58.611 -10.225 8.179 1.00 0.00 N ATOM 336 CA MET A 219 59.167 -9.007 7.657 1.00 0.00 C ATOM 337 C MET A 219 60.641 -8.986 7.945 1.00 0.00 C ATOM 338 O MET A 219 61.086 -9.479 8.992 1.00 0.00 O ATOM 339 CB MET A 219 58.511 -7.819 8.338 1.00 0.00 C ATOM 340 CG MET A 219 57.062 -7.689 8.111 1.00 0.00 C ATOM 341 SD MET A 219 56.304 -6.574 9.322 1.00 0.00 S ATOM 342 CE MET A 219 57.237 -5.067 9.038 1.00 0.00 C ATOM 0 H MET A 219 58.371 -10.170 9.169 1.00 0.00 H new ATOM 0 HA MET A 219 58.993 -8.952 6.582 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.690 -7.891 9.411 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.000 -6.908 7.994 1.00 0.00 H new ATOM 0 HG2 MET A 219 56.882 -7.313 7.104 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.592 -8.671 8.173 1.00 0.00 H new ATOM 0 HE1 MET A 219 56.595 -4.203 9.212 1.00 0.00 H new ATOM 0 HE2 MET A 219 58.086 -5.031 9.720 1.00 0.00 H new ATOM 0 HE3 MET A 219 57.597 -5.050 8.009 1.00 0.00 H new ATOM 352 N CYS A 220 61.408 -8.451 7.033 1.00 0.00 N ATOM 353 CA CYS A 220 62.826 -8.374 7.233 1.00 0.00 C ATOM 354 C CYS A 220 63.140 -7.274 8.245 1.00 0.00 C ATOM 355 O CYS A 220 62.505 -6.270 8.244 1.00 0.00 O ATOM 356 CB CYS A 220 63.507 -8.091 5.926 1.00 0.00 C ATOM 357 SG CYS A 220 65.281 -8.061 6.044 1.00 0.00 S ATOM 0 H CYS A 220 61.075 -8.065 6.150 1.00 0.00 H new ATOM 0 HA CYS A 220 63.192 -9.325 7.620 1.00 0.00 H new ATOM 0 HB2 CYS A 220 63.212 -8.848 5.200 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.160 -7.131 5.545 1.00 0.00 H new ATOM 362 N THR A 221 64.124 -7.434 9.060 1.00 0.00 N ATOM 363 CA THR A 221 64.358 -6.426 10.083 1.00 0.00 C ATOM 364 C THR A 221 65.799 -5.839 10.040 1.00 0.00 C ATOM 365 O THR A 221 66.288 -5.252 10.990 1.00 0.00 O ATOM 366 CB THR A 221 63.959 -6.983 11.468 1.00 0.00 C ATOM 367 OG1 THR A 221 64.047 -5.991 12.503 1.00 0.00 O ATOM 368 CG2 THR A 221 64.799 -8.172 11.780 1.00 0.00 C ATOM 0 H THR A 221 64.772 -8.221 9.057 1.00 0.00 H new ATOM 0 HA THR A 221 63.716 -5.570 9.873 1.00 0.00 H new ATOM 0 HB THR A 221 62.912 -7.282 11.428 1.00 0.00 H new ATOM 0 HG1 THR A 221 64.825 -5.417 12.341 1.00 0.00 H new ATOM 0 HG21 THR A 221 64.521 -8.568 12.757 1.00 0.00 H new ATOM 0 HG22 THR A 221 64.643 -8.938 11.020 1.00 0.00 H new ATOM 0 HG23 THR A 221 65.850 -7.882 11.792 1.00 0.00 H new ATOM 376 N ARG A 222 66.476 -6.014 8.920 1.00 0.00 N ATOM 377 CA ARG A 222 67.699 -5.282 8.663 1.00 0.00 C ATOM 378 C ARG A 222 67.282 -3.939 8.109 1.00 0.00 C ATOM 379 O ARG A 222 66.092 -3.672 8.023 1.00 0.00 O ATOM 380 CB ARG A 222 68.544 -6.022 7.629 1.00 0.00 C ATOM 381 CG ARG A 222 69.175 -7.358 8.089 1.00 0.00 C ATOM 382 CD ARG A 222 68.201 -8.369 8.684 1.00 0.00 C ATOM 383 NE ARG A 222 68.819 -9.667 8.957 1.00 0.00 N ATOM 384 CZ ARG A 222 68.505 -10.477 9.983 1.00 0.00 C ATOM 385 NH1 ARG A 222 67.821 -10.017 11.019 1.00 0.00 N ATOM 386 NH2 ARG A 222 68.946 -11.725 10.006 1.00 0.00 N ATOM 0 H ARG A 222 66.199 -6.655 8.177 1.00 0.00 H new ATOM 0 HA ARG A 222 68.293 -5.176 9.571 1.00 0.00 H new ATOM 0 HB2 ARG A 222 67.921 -6.220 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.346 -5.359 7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 222 69.674 -7.818 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.945 -7.141 8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 222 67.789 -7.967 9.610 1.00 0.00 H new ATOM 0 HD3 ARG A 222 67.366 -8.508 7.998 1.00 0.00 H new ATOM 0 HE ARG A 222 69.547 -9.983 8.317 1.00 0.00 H new ATOM 0 HH11 ARG A 222 67.528 -9.040 11.043 1.00 0.00 H new ATOM 0 HH12 ARG A 222 67.587 -10.639 11.793 1.00 0.00 H new ATOM 0 HH21 ARG A 222 69.526 -12.075 9.244 1.00 0.00 H new ATOM 0 HH22 ARG A 222 68.706 -12.337 10.786 1.00 0.00 H new ATOM 400 N SER A 223 68.202 -3.135 7.718 1.00 0.00 N ATOM 401 CA SER A 223 67.904 -1.855 7.109 1.00 0.00 C ATOM 402 C SER A 223 67.229 -2.062 5.715 1.00 0.00 C ATOM 403 O SER A 223 67.203 -3.180 5.207 1.00 0.00 O ATOM 404 CB SER A 223 69.199 -1.093 7.032 1.00 0.00 C ATOM 405 OG SER A 223 69.765 -0.964 8.334 1.00 0.00 O ATOM 0 H SER A 223 69.199 -3.333 7.805 1.00 0.00 H new ATOM 0 HA SER A 223 67.189 -1.281 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 223 69.896 -1.610 6.373 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.025 -0.106 6.602 1.00 0.00 H new ATOM 0 HG SER A 223 70.609 -0.469 8.276 1.00 0.00 H new ATOM 411 N LEU A 224 66.641 -1.024 5.149 1.00 0.00 N ATOM 412 CA LEU A 224 65.874 -1.108 3.870 1.00 0.00 C ATOM 413 C LEU A 224 66.640 -1.789 2.753 1.00 0.00 C ATOM 414 O LEU A 224 66.194 -2.810 2.204 1.00 0.00 O ATOM 415 CB LEU A 224 65.515 0.280 3.395 1.00 0.00 C ATOM 416 CG LEU A 224 64.702 1.127 4.355 1.00 0.00 C ATOM 417 CD1 LEU A 224 64.517 2.493 3.791 1.00 0.00 C ATOM 418 CD2 LEU A 224 63.356 0.498 4.602 1.00 0.00 C ATOM 0 H LEU A 224 66.668 -0.085 5.547 1.00 0.00 H new ATOM 0 HA LEU A 224 64.989 -1.704 4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 224 66.438 0.813 3.165 1.00 0.00 H new ATOM 0 HB3 LEU A 224 64.958 0.190 2.462 1.00 0.00 H new ATOM 0 HG LEU A 224 65.240 1.193 5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 224 63.932 3.097 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 224 65.491 2.958 3.637 1.00 0.00 H new ATOM 0 HD13 LEU A 224 63.992 2.425 2.838 1.00 0.00 H new ATOM 0 HD21 LEU A 224 62.786 1.119 5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 224 62.815 0.413 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 224 63.492 -0.494 5.033 1.00 0.00 H new ATOM 430 N ARG A 225 67.810 -1.285 2.485 1.00 0.00 N ATOM 431 CA ARG A 225 68.606 -1.694 1.341 1.00 0.00 C ATOM 432 C ARG A 225 69.559 -2.825 1.737 1.00 0.00 C ATOM 433 O ARG A 225 70.632 -3.012 1.157 1.00 0.00 O ATOM 434 CB ARG A 225 69.363 -0.479 0.862 1.00 0.00 C ATOM 435 CG ARG A 225 69.623 -0.510 -0.607 1.00 0.00 C ATOM 436 CD ARG A 225 70.158 0.806 -1.100 1.00 0.00 C ATOM 437 NE ARG A 225 71.486 1.120 -0.550 1.00 0.00 N ATOM 438 CZ ARG A 225 71.833 2.284 0.020 1.00 0.00 C ATOM 439 NH1 ARG A 225 70.919 3.228 0.229 1.00 0.00 N ATOM 440 NH2 ARG A 225 73.087 2.485 0.399 1.00 0.00 N ATOM 0 H ARG A 225 68.253 -0.567 3.058 1.00 0.00 H new ATOM 0 HA ARG A 225 67.973 -2.076 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 225 68.796 0.419 1.108 1.00 0.00 H new ATOM 0 HB3 ARG A 225 70.312 -0.413 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 225 70.336 -1.302 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 225 68.701 -0.750 -1.136 1.00 0.00 H new ATOM 0 HD2 ARG A 225 70.215 0.786 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 225 69.461 1.600 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 225 72.200 0.394 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 225 69.949 3.069 -0.044 1.00 0.00 H new ATOM 0 HH12 ARG A 225 71.188 4.111 0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 225 73.786 1.756 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 225 73.353 3.369 0.833 1.00 0.00 H new ATOM 454 N CYS A 226 69.103 -3.587 2.709 1.00 0.00 N ATOM 455 CA CYS A 226 69.784 -4.706 3.304 1.00 0.00 C ATOM 456 C CYS A 226 70.513 -5.710 2.323 1.00 0.00 C ATOM 457 O CYS A 226 71.743 -5.806 2.356 1.00 0.00 O ATOM 458 CB CYS A 226 68.749 -5.315 4.239 1.00 0.00 C ATOM 459 SG CYS A 226 68.484 -7.040 4.295 1.00 0.00 S ATOM 0 H CYS A 226 68.187 -3.426 3.128 1.00 0.00 H new ATOM 0 HA CYS A 226 70.673 -4.376 3.842 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.009 -5.000 5.250 1.00 0.00 H new ATOM 0 HB3 CYS A 226 67.791 -4.854 3.998 1.00 0.00 H new ATOM 464 N PRO A 227 69.808 -6.449 1.455 1.00 0.00 N ATOM 465 CA PRO A 227 70.390 -7.512 0.622 1.00 0.00 C ATOM 466 C PRO A 227 70.176 -7.261 -0.917 1.00 0.00 C ATOM 467 O PRO A 227 70.886 -6.474 -1.533 1.00 0.00 O ATOM 468 CB PRO A 227 69.470 -8.641 1.094 1.00 0.00 C ATOM 469 CG PRO A 227 68.175 -7.910 1.369 1.00 0.00 C ATOM 470 CD PRO A 227 68.429 -6.437 1.224 1.00 0.00 C ATOM 0 HA PRO A 227 71.467 -7.650 0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.348 -9.411 0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.856 -9.134 1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.401 -8.233 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.816 -8.137 2.373 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.167 -6.056 0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 227 67.882 -5.838 1.952 1.00 0.00 H new ATOM 478 N GLN A 228 69.162 -7.936 -1.493 1.00 0.00 N ATOM 479 CA GLN A 228 68.714 -7.745 -2.839 1.00 0.00 C ATOM 480 C GLN A 228 67.243 -7.334 -2.726 1.00 0.00 C ATOM 481 O GLN A 228 66.484 -7.340 -3.678 1.00 0.00 O ATOM 482 CB GLN A 228 68.883 -9.053 -3.635 1.00 0.00 C ATOM 483 CG GLN A 228 68.518 -8.959 -5.116 1.00 0.00 C ATOM 484 CD GLN A 228 69.311 -7.912 -5.875 1.00 0.00 C ATOM 485 OE1 GLN A 228 70.464 -7.620 -5.550 1.00 0.00 O ATOM 486 NE2 GLN A 228 68.708 -7.346 -6.890 1.00 0.00 N ATOM 0 H GLN A 228 68.629 -8.649 -0.995 1.00 0.00 H new ATOM 0 HA GLN A 228 69.287 -6.984 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 228 69.919 -9.380 -3.552 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.267 -9.824 -3.173 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.677 -9.931 -5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 228 67.456 -8.733 -5.205 1.00 0.00 H new ATOM 0 HE21 GLN A 228 67.753 -7.613 -7.130 1.00 0.00 H new ATOM 0 HE22 GLN A 228 69.193 -6.638 -7.441 1.00 0.00 H new ATOM 495 N HIS A 229 66.855 -7.012 -1.487 1.00 0.00 N ATOM 496 CA HIS A 229 65.567 -6.485 -1.179 1.00 0.00 C ATOM 497 C HIS A 229 65.536 -5.035 -1.594 1.00 0.00 C ATOM 498 O HIS A 229 65.846 -4.139 -0.809 1.00 0.00 O ATOM 499 CB HIS A 229 65.179 -6.583 0.298 1.00 0.00 C ATOM 500 CG HIS A 229 65.064 -7.996 0.916 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.372 -8.363 2.312 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.425 -9.036 0.365 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.851 -9.517 2.454 1.00 0.00 C ATOM 504 NE2 HIS A 229 64.294 -9.995 1.328 1.00 0.00 N ATOM 0 H HIS A 229 67.456 -7.121 -0.670 1.00 0.00 H new ATOM 0 HA HIS A 229 64.843 -7.091 -1.724 1.00 0.00 H new ATOM 0 HB2 HIS A 229 65.913 -6.022 0.876 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.220 -6.081 0.428 1.00 0.00 H new ATOM 0 HD2 HIS A 229 64.077 -9.104 -0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.856 -10.059 3.388 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.854 -10.908 1.214 1.00 0.00 H new ATOM 512 N THR A 230 65.109 -4.861 -2.772 1.00 0.00 N ATOM 513 CA THR A 230 65.154 -3.644 -3.537 1.00 0.00 C ATOM 514 C THR A 230 64.207 -2.565 -3.038 1.00 0.00 C ATOM 515 O THR A 230 63.429 -2.766 -2.102 1.00 0.00 O ATOM 516 CB THR A 230 64.792 -3.968 -4.998 1.00 0.00 C ATOM 517 OG1 THR A 230 63.472 -4.532 -5.044 1.00 0.00 O ATOM 518 CG2 THR A 230 65.745 -4.980 -5.576 1.00 0.00 C ATOM 0 H THR A 230 64.675 -5.622 -3.294 1.00 0.00 H new ATOM 0 HA THR A 230 66.165 -3.250 -3.436 1.00 0.00 H new ATOM 0 HB THR A 230 64.847 -3.044 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 230 63.221 -4.702 -5.976 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.468 -5.192 -6.609 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.760 -4.583 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.698 -5.899 -4.992 1.00 0.00 H new ATOM 526 N ASP A 231 64.278 -1.417 -3.690 1.00 0.00 N ATOM 527 CA ASP A 231 63.381 -0.291 -3.436 1.00 0.00 C ATOM 528 C ASP A 231 61.951 -0.666 -3.818 1.00 0.00 C ATOM 529 O ASP A 231 60.995 -0.199 -3.219 1.00 0.00 O ATOM 530 CB ASP A 231 63.834 0.912 -4.245 1.00 0.00 C ATOM 531 CG ASP A 231 62.932 2.122 -4.098 1.00 0.00 C ATOM 532 OD1 ASP A 231 62.971 2.805 -3.049 1.00 0.00 O ATOM 533 OD2 ASP A 231 62.177 2.427 -5.043 1.00 0.00 O ATOM 0 H ASP A 231 64.966 -1.234 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 231 63.408 -0.043 -2.375 1.00 0.00 H new ATOM 0 HB2 ASP A 231 64.844 1.184 -3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 231 63.883 0.633 -5.297 1.00 0.00 H new ATOM 538 N GLU A 232 61.836 -1.599 -4.765 1.00 0.00 N ATOM 539 CA GLU A 232 60.545 -2.106 -5.251 1.00 0.00 C ATOM 540 C GLU A 232 59.931 -2.845 -4.093 1.00 0.00 C ATOM 541 O GLU A 232 58.758 -2.715 -3.760 1.00 0.00 O ATOM 542 CB GLU A 232 60.803 -3.129 -6.353 1.00 0.00 C ATOM 543 CG GLU A 232 61.685 -2.644 -7.480 1.00 0.00 C ATOM 544 CD GLU A 232 62.302 -3.797 -8.222 1.00 0.00 C ATOM 545 OE1 GLU A 232 63.322 -4.324 -7.741 1.00 0.00 O ATOM 546 OE2 GLU A 232 61.785 -4.223 -9.268 1.00 0.00 O ATOM 0 H GLU A 232 62.640 -2.029 -5.222 1.00 0.00 H new ATOM 0 HA GLU A 232 59.914 -1.300 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 232 61.261 -4.013 -5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.845 -3.441 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 232 61.098 -2.037 -8.169 1.00 0.00 H new ATOM 0 HG3 GLU A 232 62.471 -2.003 -7.080 1.00 0.00 H new ATOM 553 N GLN A 233 60.801 -3.572 -3.460 1.00 0.00 N ATOM 554 CA GLN A 233 60.529 -4.371 -2.328 1.00 0.00 C ATOM 555 C GLN A 233 60.188 -3.562 -1.104 1.00 0.00 C ATOM 556 O GLN A 233 59.412 -3.992 -0.256 1.00 0.00 O ATOM 557 CB GLN A 233 61.692 -5.291 -2.098 1.00 0.00 C ATOM 558 CG GLN A 233 61.651 -6.444 -3.055 1.00 0.00 C ATOM 559 CD GLN A 233 62.745 -7.417 -2.876 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.730 -7.285 -3.684 1.00 0.00 O flip ATOM 561 NE2 GLN A 233 62.663 -8.328 -2.070 1.00 0.00 N flip ATOM 0 H GLN A 233 61.779 -3.618 -3.747 1.00 0.00 H new ATOM 0 HA GLN A 233 59.635 -4.962 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.626 -4.743 -2.221 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.672 -5.661 -1.073 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.698 -6.961 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.686 -6.058 -4.074 1.00 0.00 H new ATOM 0 HE21 GLN A 233 61.857 -8.388 -1.448 1.00 0.00 H new ATOM 0 HE22 GLN A 233 63.401 -9.030 -2.017 1.00 0.00 H new ATOM 570 N ARG A 234 60.790 -2.418 -0.992 1.00 0.00 N ATOM 571 CA ARG A 234 60.496 -1.513 0.096 1.00 0.00 C ATOM 572 C ARG A 234 59.139 -0.906 -0.124 1.00 0.00 C ATOM 573 O ARG A 234 58.311 -0.861 0.776 1.00 0.00 O ATOM 574 CB ARG A 234 61.583 -0.450 0.204 1.00 0.00 C ATOM 575 CG ARG A 234 62.942 -1.049 0.472 1.00 0.00 C ATOM 576 CD ARG A 234 62.993 -1.625 1.828 1.00 0.00 C ATOM 577 NE ARG A 234 63.381 -2.961 1.659 1.00 0.00 N ATOM 578 CZ ARG A 234 62.501 -3.875 1.483 1.00 0.00 C ATOM 579 NH1 ARG A 234 61.343 -3.841 2.131 1.00 0.00 N ATOM 580 NH2 ARG A 234 62.776 -4.836 0.694 1.00 0.00 N ATOM 0 H ARG A 234 61.497 -2.079 -1.644 1.00 0.00 H new ATOM 0 HA ARG A 234 60.481 -2.055 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.618 0.127 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.330 0.246 1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 234 63.158 -1.821 -0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 234 63.711 -0.284 0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.704 -1.087 2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 234 62.022 -1.559 2.318 1.00 0.00 H new ATOM 0 HE ARG A 234 64.371 -3.207 1.676 1.00 0.00 H new ATOM 0 HH11 ARG A 234 61.144 -3.080 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 234 60.652 -4.576 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 234 63.679 -4.865 0.220 1.00 0.00 H new ATOM 0 HH22 ARG A 234 62.093 -5.577 0.536 1.00 0.00 H new ATOM 594 N ARG A 235 58.902 -0.541 -1.351 1.00 0.00 N ATOM 595 CA ARG A 235 57.653 0.051 -1.781 1.00 0.00 C ATOM 596 C ARG A 235 56.494 -0.901 -1.528 1.00 0.00 C ATOM 597 O ARG A 235 55.507 -0.547 -0.863 1.00 0.00 O ATOM 598 CB ARG A 235 57.742 0.322 -3.273 1.00 0.00 C ATOM 599 CG ARG A 235 56.480 0.863 -3.906 1.00 0.00 C ATOM 600 CD ARG A 235 56.654 0.951 -5.398 1.00 0.00 C ATOM 601 NE ARG A 235 56.854 -0.373 -6.008 1.00 0.00 N ATOM 602 CZ ARG A 235 57.624 -0.619 -7.075 1.00 0.00 C ATOM 603 NH1 ARG A 235 58.361 0.345 -7.618 1.00 0.00 N ATOM 604 NH2 ARG A 235 57.668 -1.839 -7.587 1.00 0.00 N ATOM 0 H ARG A 235 59.583 -0.646 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 235 57.482 0.972 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.551 1.031 -3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 235 58.015 -0.604 -3.779 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.636 0.216 -3.667 1.00 0.00 H new ATOM 0 HG3 ARG A 235 56.252 1.848 -3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.776 1.424 -5.838 1.00 0.00 H new ATOM 0 HD3 ARG A 235 57.508 1.588 -5.627 1.00 0.00 H new ATOM 0 HE ARG A 235 56.369 -1.164 -5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 235 58.344 1.285 -7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 235 58.944 0.145 -8.431 1.00 0.00 H new ATOM 0 HH21 ARG A 235 57.116 -2.588 -7.169 1.00 0.00 H new ATOM 0 HH22 ARG A 235 58.254 -2.030 -8.400 1.00 0.00 H new ATOM 618 N THR A 236 56.660 -2.113 -2.013 1.00 0.00 N ATOM 619 CA THR A 236 55.639 -3.113 -2.021 1.00 0.00 C ATOM 620 C THR A 236 55.149 -3.464 -0.615 1.00 0.00 C ATOM 621 O THR A 236 53.964 -3.648 -0.404 1.00 0.00 O ATOM 622 CB THR A 236 56.121 -4.387 -2.790 1.00 0.00 C ATOM 623 OG1 THR A 236 54.990 -5.122 -3.265 1.00 0.00 O ATOM 624 CG2 THR A 236 56.961 -5.314 -1.904 1.00 0.00 C ATOM 0 H THR A 236 57.539 -2.429 -2.423 1.00 0.00 H new ATOM 0 HA THR A 236 54.783 -2.693 -2.549 1.00 0.00 H new ATOM 0 HB THR A 236 56.741 -4.045 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 236 55.296 -5.918 -3.747 1.00 0.00 H new ATOM 0 HG21 THR A 236 57.273 -6.185 -2.481 1.00 0.00 H new ATOM 0 HG22 THR A 236 57.842 -4.779 -1.550 1.00 0.00 H new ATOM 0 HG23 THR A 236 56.366 -5.639 -1.050 1.00 0.00 H new ATOM 632 N VAL A 237 56.040 -3.486 0.342 1.00 0.00 N ATOM 633 CA VAL A 237 55.671 -3.905 1.652 1.00 0.00 C ATOM 634 C VAL A 237 55.023 -2.761 2.443 1.00 0.00 C ATOM 635 O VAL A 237 54.146 -2.984 3.266 1.00 0.00 O ATOM 636 CB VAL A 237 56.860 -4.558 2.388 1.00 0.00 C ATOM 637 CG1 VAL A 237 57.962 -3.575 2.713 1.00 0.00 C ATOM 638 CG2 VAL A 237 56.409 -5.326 3.596 1.00 0.00 C ATOM 0 H VAL A 237 57.018 -3.219 0.232 1.00 0.00 H new ATOM 0 HA VAL A 237 54.909 -4.679 1.561 1.00 0.00 H new ATOM 0 HB VAL A 237 57.297 -5.276 1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 237 58.770 -4.092 3.230 1.00 0.00 H new ATOM 0 HG12 VAL A 237 58.343 -3.137 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 237 57.568 -2.786 3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 237 57.274 -5.771 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 237 55.905 -4.652 4.288 1.00 0.00 H new ATOM 0 HG23 VAL A 237 55.720 -6.113 3.290 1.00 0.00 H new ATOM 648 N ARG A 238 55.419 -1.530 2.150 1.00 0.00 N ATOM 649 CA ARG A 238 54.835 -0.378 2.815 1.00 0.00 C ATOM 650 C ARG A 238 53.429 -0.153 2.314 1.00 0.00 C ATOM 651 O ARG A 238 52.530 0.131 3.088 1.00 0.00 O ATOM 652 CB ARG A 238 55.672 0.856 2.562 1.00 0.00 C ATOM 653 CG ARG A 238 57.081 0.709 3.041 1.00 0.00 C ATOM 654 CD ARG A 238 57.923 1.903 2.698 1.00 0.00 C ATOM 655 NE ARG A 238 57.508 3.112 3.422 1.00 0.00 N ATOM 656 CZ ARG A 238 57.697 4.362 2.983 1.00 0.00 C ATOM 657 NH1 ARG A 238 58.327 4.580 1.829 1.00 0.00 N ATOM 658 NH2 ARG A 238 57.270 5.384 3.701 1.00 0.00 N ATOM 0 H ARG A 238 56.137 -1.306 1.461 1.00 0.00 H new ATOM 0 HA ARG A 238 54.808 -0.571 3.887 1.00 0.00 H new ATOM 0 HB2 ARG A 238 55.677 1.073 1.494 1.00 0.00 H new ATOM 0 HB3 ARG A 238 55.211 1.710 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 238 57.083 0.564 4.121 1.00 0.00 H new ATOM 0 HG3 ARG A 238 57.522 -0.184 2.598 1.00 0.00 H new ATOM 0 HD2 ARG A 238 58.966 1.686 2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 238 57.865 2.088 1.625 1.00 0.00 H new ATOM 0 HE ARG A 238 57.043 2.990 4.322 1.00 0.00 H new ATOM 0 HH11 ARG A 238 58.667 3.793 1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 238 58.469 5.534 1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 238 56.797 5.221 4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 238 57.414 6.337 3.367 1.00 0.00 H new ATOM 672 N VAL A 239 53.236 -0.318 1.025 1.00 0.00 N ATOM 673 CA VAL A 239 51.929 -0.124 0.427 1.00 0.00 C ATOM 674 C VAL A 239 51.006 -1.265 0.875 1.00 0.00 C ATOM 675 O VAL A 239 49.817 -1.105 1.048 1.00 0.00 O ATOM 676 CB VAL A 239 52.053 -0.050 -1.121 1.00 0.00 C ATOM 677 CG1 VAL A 239 52.184 -1.391 -1.798 1.00 0.00 C ATOM 678 CG2 VAL A 239 51.002 0.815 -1.762 1.00 0.00 C ATOM 0 H VAL A 239 53.968 -0.587 0.367 1.00 0.00 H new ATOM 0 HA VAL A 239 51.497 0.820 0.759 1.00 0.00 H new ATOM 0 HB VAL A 239 53.007 0.450 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 239 52.265 -1.248 -2.876 1.00 0.00 H new ATOM 0 HG12 VAL A 239 53.076 -1.898 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 239 51.305 -1.997 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 239 51.146 0.823 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 239 50.014 0.418 -1.531 1.00 0.00 H new ATOM 0 HG23 VAL A 239 51.084 1.832 -1.378 1.00 0.00 H new ATOM 688 N TYR A 240 51.604 -2.395 1.074 1.00 0.00 N ATOM 689 CA TYR A 240 50.922 -3.562 1.599 1.00 0.00 C ATOM 690 C TYR A 240 50.463 -3.326 3.057 1.00 0.00 C ATOM 691 O TYR A 240 49.292 -3.513 3.391 1.00 0.00 O ATOM 692 CB TYR A 240 51.881 -4.764 1.516 1.00 0.00 C ATOM 693 CG TYR A 240 51.431 -6.024 2.203 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.673 -6.972 1.546 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.786 -6.264 3.516 1.00 0.00 C ATOM 696 CE1 TYR A 240 50.277 -8.126 2.186 1.00 0.00 C ATOM 697 CE2 TYR A 240 51.403 -7.401 4.159 1.00 0.00 C ATOM 698 CZ TYR A 240 50.647 -8.335 3.498 1.00 0.00 C ATOM 699 OH TYR A 240 50.261 -9.493 4.151 1.00 0.00 O ATOM 0 H TYR A 240 52.593 -2.548 0.878 1.00 0.00 H new ATOM 0 HA TYR A 240 50.028 -3.761 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 240 52.055 -4.991 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.840 -4.467 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 240 50.387 -6.807 0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 240 52.381 -5.533 4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 240 49.682 -8.861 1.665 1.00 0.00 H new ATOM 0 HE2 TYR A 240 51.693 -7.567 5.186 1.00 0.00 H new ATOM 0 HH TYR A 240 50.606 -9.482 5.068 1.00 0.00 H new ATOM 709 N PHE A 241 51.389 -2.907 3.895 1.00 0.00 N ATOM 710 CA PHE A 241 51.133 -2.714 5.312 1.00 0.00 C ATOM 711 C PHE A 241 50.409 -1.431 5.694 1.00 0.00 C ATOM 712 O PHE A 241 49.406 -1.476 6.400 1.00 0.00 O ATOM 713 CB PHE A 241 52.430 -2.752 6.096 1.00 0.00 C ATOM 714 CG PHE A 241 52.941 -4.104 6.446 1.00 0.00 C ATOM 715 CD1 PHE A 241 52.130 -5.023 7.096 1.00 0.00 C ATOM 716 CD2 PHE A 241 54.237 -4.451 6.157 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.613 -6.266 7.441 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.724 -5.691 6.507 1.00 0.00 C ATOM 719 CZ PHE A 241 53.913 -6.598 7.146 1.00 0.00 C ATOM 0 H PHE A 241 52.345 -2.689 3.614 1.00 0.00 H new ATOM 0 HA PHE A 241 50.464 -3.538 5.561 1.00 0.00 H new ATOM 0 HB2 PHE A 241 53.196 -2.234 5.518 1.00 0.00 H new ATOM 0 HB3 PHE A 241 52.291 -2.188 7.018 1.00 0.00 H new ATOM 0 HD1 PHE A 241 51.110 -4.761 7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.880 -3.746 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.972 -6.977 7.941 1.00 0.00 H new ATOM 0 HE2 PHE A 241 55.747 -5.951 6.278 1.00 0.00 H new ATOM 0 HZ PHE A 241 54.297 -7.571 7.416 1.00 0.00 H new ATOM 729 N LEU A 242 50.894 -0.305 5.251 1.00 0.00 N ATOM 730 CA LEU A 242 50.411 0.942 5.794 1.00 0.00 C ATOM 731 C LEU A 242 49.523 1.744 4.878 1.00 0.00 C ATOM 732 O LEU A 242 48.990 2.777 5.299 1.00 0.00 O ATOM 733 CB LEU A 242 51.549 1.795 6.395 1.00 0.00 C ATOM 734 CG LEU A 242 52.875 1.820 5.625 1.00 0.00 C ATOM 735 CD1 LEU A 242 53.402 3.237 5.516 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.909 0.927 6.332 1.00 0.00 C ATOM 0 H LEU A 242 51.610 -0.220 4.529 1.00 0.00 H new ATOM 0 HA LEU A 242 49.751 0.640 6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 242 51.192 2.820 6.489 1.00 0.00 H new ATOM 0 HB3 LEU A 242 51.749 1.433 7.404 1.00 0.00 H new ATOM 0 HG LEU A 242 52.700 1.438 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 242 54.343 3.234 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 242 52.676 3.856 4.989 1.00 0.00 H new ATOM 0 HD13 LEU A 242 53.566 3.642 6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 242 54.848 0.950 5.779 1.00 0.00 H new ATOM 0 HD22 LEU A 242 54.075 1.294 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 242 53.537 -0.097 6.374 1.00 0.00 H new ATOM 748 N GLY A 243 49.327 1.302 3.667 1.00 0.00 N ATOM 749 CA GLY A 243 48.440 2.037 2.818 1.00 0.00 C ATOM 750 C GLY A 243 48.493 1.607 1.387 1.00 0.00 C ATOM 751 O GLY A 243 49.402 1.979 0.678 1.00 0.00 O ATOM 0 H GLY A 243 49.752 0.469 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 243 47.420 1.924 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 243 48.685 3.097 2.880 1.00 0.00 H new ATOM 755 N PRO A 244 47.529 0.789 0.931 1.00 0.00 N ATOM 756 CA PRO A 244 47.422 0.363 -0.479 1.00 0.00 C ATOM 757 C PRO A 244 47.247 1.545 -1.441 1.00 0.00 C ATOM 758 O PRO A 244 47.440 1.411 -2.652 1.00 0.00 O ATOM 759 CB PRO A 244 46.168 -0.503 -0.485 1.00 0.00 C ATOM 760 CG PRO A 244 46.072 -1.009 0.904 1.00 0.00 C ATOM 761 CD PRO A 244 46.519 0.124 1.764 1.00 0.00 C ATOM 0 HA PRO A 244 48.323 -0.149 -0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 244 45.286 0.075 -0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 244 46.251 -1.320 -1.202 1.00 0.00 H new ATOM 0 HG2 PRO A 244 45.052 -1.308 1.145 1.00 0.00 H new ATOM 0 HG3 PRO A 244 46.703 -1.886 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 244 45.695 0.793 2.011 1.00 0.00 H new ATOM 0 HD3 PRO A 244 46.939 -0.226 2.707 1.00 0.00 H new ATOM 769 N SER A 245 46.878 2.683 -0.895 1.00 0.00 N ATOM 770 CA SER A 245 46.707 3.885 -1.661 1.00 0.00 C ATOM 771 C SER A 245 47.748 4.928 -1.218 1.00 0.00 C ATOM 772 O SER A 245 47.542 6.128 -1.403 1.00 0.00 O ATOM 773 CB SER A 245 45.295 4.424 -1.420 1.00 0.00 C ATOM 774 OG SER A 245 44.316 3.401 -1.619 1.00 0.00 O ATOM 0 H SER A 245 46.688 2.795 0.101 1.00 0.00 H new ATOM 0 HA SER A 245 46.845 3.676 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 245 45.219 4.813 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 245 45.099 5.256 -2.096 1.00 0.00 H new ATOM 0 HG SER A 245 43.422 3.768 -1.458 1.00 0.00 H new ATOM 780 N ALA A 246 48.876 4.457 -0.656 1.00 0.00 N ATOM 781 CA ALA A 246 49.933 5.352 -0.158 1.00 0.00 C ATOM 782 C ALA A 246 50.524 6.183 -1.291 1.00 0.00 C ATOM 783 O ALA A 246 50.415 5.811 -2.461 1.00 0.00 O ATOM 784 CB ALA A 246 51.039 4.559 0.544 1.00 0.00 C ATOM 0 H ALA A 246 49.077 3.464 -0.536 1.00 0.00 H new ATOM 0 HA ALA A 246 49.478 6.027 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 246 51.807 5.245 0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 246 50.616 4.014 1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 246 51.482 3.853 -0.158 1.00 0.00 H new ATOM 790 N VAL A 247 51.198 7.271 -0.948 1.00 0.00 N ATOM 791 CA VAL A 247 51.784 8.194 -1.916 1.00 0.00 C ATOM 792 C VAL A 247 53.069 7.653 -2.546 1.00 0.00 C ATOM 793 O VAL A 247 53.886 8.398 -3.084 1.00 0.00 O ATOM 794 CB VAL A 247 52.053 9.570 -1.283 1.00 0.00 C ATOM 795 CG1 VAL A 247 50.763 10.224 -0.816 1.00 0.00 C ATOM 796 CG2 VAL A 247 53.074 9.488 -0.145 1.00 0.00 C ATOM 0 H VAL A 247 51.357 7.543 0.022 1.00 0.00 H new ATOM 0 HA VAL A 247 51.047 8.304 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 247 52.487 10.199 -2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 247 50.987 11.195 -0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 247 50.095 10.358 -1.666 1.00 0.00 H new ATOM 0 HG13 VAL A 247 50.281 9.589 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 247 53.234 10.482 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 247 52.699 8.823 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 247 54.017 9.100 -0.530 1.00 0.00 H new ATOM 806 N LEU A 248 53.199 6.384 -2.526 1.00 0.00 N ATOM 807 CA LEU A 248 54.321 5.715 -3.101 1.00 0.00 C ATOM 808 C LEU A 248 54.039 5.513 -4.567 1.00 0.00 C ATOM 809 O LEU A 248 52.876 5.513 -4.979 1.00 0.00 O ATOM 810 CB LEU A 248 54.577 4.376 -2.403 1.00 0.00 C ATOM 811 CG LEU A 248 54.910 4.436 -0.914 1.00 0.00 C ATOM 812 CD1 LEU A 248 55.276 3.062 -0.420 1.00 0.00 C ATOM 813 CD2 LEU A 248 56.044 5.415 -0.645 1.00 0.00 C ATOM 0 H LEU A 248 52.517 5.756 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 248 55.221 6.317 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 248 53.693 3.751 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 248 55.398 3.875 -2.916 1.00 0.00 H new ATOM 0 HG LEU A 248 54.030 4.789 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 248 55.513 3.109 0.643 1.00 0.00 H new ATOM 0 HD12 LEU A 248 54.437 2.384 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 248 56.144 2.697 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 248 56.260 5.437 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 248 56.934 5.099 -1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 248 55.751 6.411 -0.977 1.00 0.00 H new ATOM 825 N PRO A 249 55.058 5.355 -5.384 1.00 0.00 N ATOM 826 CA PRO A 249 54.884 5.219 -6.806 1.00 0.00 C ATOM 827 C PRO A 249 54.441 3.812 -7.157 1.00 0.00 C ATOM 828 O PRO A 249 55.233 2.888 -7.198 1.00 0.00 O ATOM 829 CB PRO A 249 56.264 5.522 -7.369 1.00 0.00 C ATOM 830 CG PRO A 249 57.077 5.964 -6.176 1.00 0.00 C ATOM 831 CD PRO A 249 56.466 5.276 -5.025 1.00 0.00 C ATOM 0 HA PRO A 249 54.117 5.880 -7.209 1.00 0.00 H new ATOM 0 HB2 PRO A 249 56.701 4.642 -7.842 1.00 0.00 H new ATOM 0 HB3 PRO A 249 56.219 6.303 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 249 58.126 5.690 -6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 249 57.042 7.047 -6.053 1.00 0.00 H new ATOM 0 HD2 PRO A 249 56.811 4.247 -4.926 1.00 0.00 H new ATOM 0 HD3 PRO A 249 56.682 5.776 -4.081 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 66.140 -7.275 4.042 1.00 0.00 ZN