USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 423 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 229 HIS HD1 : A 229 HIS ND1 : A 500 ZNZN :(H bumps) USER MOD Set 1.1: A 230 THR OG1 : rot 180:sc= 0.452 USER MOD Set 1.2: A 233 GLN : amide:sc= -6.23! C(o=-5.8!,f=-3.3!) USER MOD Single : A 203 SER OG : rot 180:sc= 0 USER MOD Single : A 206 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 208 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.1) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 215 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 216 THR OG1 : rot 180:sc= 0.00474 USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 MET CE :methyl -175:sc= -0.482 (180deg=-0.574) USER MOD Single : A 221 THR OG1 : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 180:sc= 0.00795 USER MOD Single : A 228 GLN : amide:sc= -1.01 K(o=-1,f=-0.0048) 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 51.068 -0.399 13.607 1.00 0.00 N ATOM 2 CA PRO A 198 51.102 0.286 12.304 1.00 0.00 C ATOM 3 C PRO A 198 51.899 1.588 12.319 1.00 0.00 C ATOM 4 O PRO A 198 52.550 1.926 11.334 1.00 0.00 O ATOM 5 CB PRO A 198 49.624 0.566 11.992 1.00 0.00 C ATOM 6 CG PRO A 198 48.928 0.440 13.300 1.00 0.00 C ATOM 7 CD PRO A 198 49.690 -0.599 14.066 1.00 0.00 C ATOM 0 HA PRO A 198 51.602 -0.330 11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 198 49.491 1.561 11.568 1.00 0.00 H new ATOM 0 HB3 PRO A 198 49.232 -0.145 11.265 1.00 0.00 H new ATOM 0 HG2 PRO A 198 48.920 1.391 13.832 1.00 0.00 H new ATOM 0 HG3 PRO A 198 47.888 0.142 13.163 1.00 0.00 H new ATOM 0 HD2 PRO A 198 49.598 -0.456 15.143 1.00 0.00 H new ATOM 0 HD3 PRO A 198 49.333 -1.605 13.847 1.00 0.00 H new ATOM 15 N GLU A 199 51.890 2.273 13.452 1.00 0.00 N ATOM 16 CA GLU A 199 52.571 3.550 13.594 1.00 0.00 C ATOM 17 C GLU A 199 54.076 3.352 13.484 1.00 0.00 C ATOM 18 O GLU A 199 54.759 4.011 12.680 1.00 0.00 O ATOM 19 CB GLU A 199 52.246 4.172 14.948 1.00 0.00 C ATOM 20 CG GLU A 199 50.770 4.413 15.205 1.00 0.00 C ATOM 21 CD GLU A 199 50.519 4.840 16.627 1.00 0.00 C ATOM 22 OE1 GLU A 199 50.639 4.000 17.534 1.00 0.00 O ATOM 23 OE2 GLU A 199 50.205 6.029 16.877 1.00 0.00 O ATOM 0 H GLU A 199 51.412 1.960 14.297 1.00 0.00 H new ATOM 0 HA GLU A 199 52.231 4.214 12.800 1.00 0.00 H new ATOM 0 HB2 GLU A 199 52.635 3.522 15.732 1.00 0.00 H new ATOM 0 HB3 GLU A 199 52.774 5.122 15.031 1.00 0.00 H new ATOM 0 HG2 GLU A 199 50.402 5.180 14.524 1.00 0.00 H new ATOM 0 HG3 GLU A 199 50.209 3.502 14.993 1.00 0.00 H new ATOM 30 N GLU A 200 54.586 2.438 14.267 1.00 0.00 N ATOM 31 CA GLU A 200 55.953 2.145 14.314 1.00 0.00 C ATOM 32 C GLU A 200 56.401 1.291 13.180 1.00 0.00 C ATOM 33 O GLU A 200 57.535 1.342 12.791 1.00 0.00 O ATOM 34 CB GLU A 200 56.334 1.564 15.636 1.00 0.00 C ATOM 35 CG GLU A 200 55.415 0.500 16.251 1.00 0.00 C ATOM 36 CD GLU A 200 54.201 1.078 16.942 1.00 0.00 C ATOM 37 OE1 GLU A 200 53.197 1.312 16.287 1.00 0.00 O ATOM 38 OE2 GLU A 200 54.251 1.324 18.161 1.00 0.00 O ATOM 0 H GLU A 200 54.024 1.871 14.902 1.00 0.00 H new ATOM 0 HA GLU A 200 56.482 3.091 14.201 1.00 0.00 H new ATOM 0 HB2 GLU A 200 57.328 1.128 15.534 1.00 0.00 H new ATOM 0 HB3 GLU A 200 56.418 2.384 16.349 1.00 0.00 H new ATOM 0 HG2 GLU A 200 55.086 -0.182 15.467 1.00 0.00 H new ATOM 0 HG3 GLU A 200 55.985 -0.090 16.969 1.00 0.00 H new ATOM 45 N LEU A 201 55.517 0.509 12.673 1.00 0.00 N ATOM 46 CA LEU A 201 55.776 -0.258 11.473 1.00 0.00 C ATOM 47 C LEU A 201 56.019 0.668 10.277 1.00 0.00 C ATOM 48 O LEU A 201 56.948 0.483 9.501 1.00 0.00 O ATOM 49 CB LEU A 201 54.637 -1.225 11.206 1.00 0.00 C ATOM 50 CG LEU A 201 54.530 -1.699 9.790 1.00 0.00 C ATOM 51 CD1 LEU A 201 54.180 -3.145 9.753 1.00 0.00 C ATOM 52 CD2 LEU A 201 53.467 -0.911 9.071 1.00 0.00 C ATOM 0 H LEU A 201 54.586 0.371 13.067 1.00 0.00 H new ATOM 0 HA LEU A 201 56.683 -0.843 11.623 1.00 0.00 H new ATOM 0 HB2 LEU A 201 54.756 -2.092 11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 201 53.699 -0.744 11.485 1.00 0.00 H new ATOM 0 HG LEU A 201 55.492 -1.553 9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 201 54.106 -3.475 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 201 54.954 -3.720 10.262 1.00 0.00 H new ATOM 0 HD13 LEU A 201 53.224 -3.301 10.253 1.00 0.00 H new ATOM 0 HD21 LEU A 201 53.391 -1.258 8.041 1.00 0.00 H new ATOM 0 HD22 LEU A 201 52.509 -1.050 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 201 53.730 0.147 9.079 1.00 0.00 H new ATOM 64 N ARG A 202 55.174 1.658 10.153 1.00 0.00 N ATOM 65 CA ARG A 202 55.291 2.677 9.162 1.00 0.00 C ATOM 66 C ARG A 202 56.622 3.419 9.343 1.00 0.00 C ATOM 67 O ARG A 202 57.242 3.878 8.381 1.00 0.00 O ATOM 68 CB ARG A 202 54.120 3.615 9.342 1.00 0.00 C ATOM 69 CG ARG A 202 54.203 4.866 8.560 1.00 0.00 C ATOM 70 CD ARG A 202 52.942 5.673 8.715 1.00 0.00 C ATOM 71 NE ARG A 202 53.014 6.950 7.997 1.00 0.00 N ATOM 72 CZ ARG A 202 51.963 7.668 7.589 1.00 0.00 C ATOM 73 NH1 ARG A 202 50.725 7.270 7.876 1.00 0.00 N ATOM 74 NH2 ARG A 202 52.155 8.791 6.910 1.00 0.00 N ATOM 0 H ARG A 202 54.363 1.774 10.761 1.00 0.00 H new ATOM 0 HA ARG A 202 55.280 2.256 8.156 1.00 0.00 H new ATOM 0 HB2 ARG A 202 53.206 3.090 9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 202 54.034 3.868 10.399 1.00 0.00 H new ATOM 0 HG2 ARG A 202 55.060 5.453 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 202 54.365 4.633 7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 202 52.095 5.096 8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 202 52.760 5.862 9.773 1.00 0.00 H new ATOM 0 HE ARG A 202 53.942 7.320 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 202 50.575 6.414 8.410 1.00 0.00 H new ATOM 0 HH12 ARG A 202 49.926 7.822 7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 202 53.103 9.105 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 202 51.355 9.341 6.597 1.00 0.00 H new ATOM 88 N SER A 203 57.046 3.489 10.584 1.00 0.00 N ATOM 89 CA SER A 203 58.294 4.117 10.947 1.00 0.00 C ATOM 90 C SER A 203 59.480 3.138 10.716 1.00 0.00 C ATOM 91 O SER A 203 60.618 3.562 10.489 1.00 0.00 O ATOM 92 CB SER A 203 58.216 4.566 12.413 1.00 0.00 C ATOM 93 OG SER A 203 59.328 5.350 12.790 1.00 0.00 O ATOM 0 H SER A 203 56.529 3.108 11.376 1.00 0.00 H new ATOM 0 HA SER A 203 58.467 4.991 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 203 57.301 5.138 12.568 1.00 0.00 H new ATOM 0 HB3 SER A 203 58.157 3.689 13.057 1.00 0.00 H new ATOM 0 HG SER A 203 59.238 5.616 13.729 1.00 0.00 H new ATOM 99 N LEU A 204 59.189 1.841 10.766 1.00 0.00 N ATOM 100 CA LEU A 204 60.153 0.781 10.557 1.00 0.00 C ATOM 101 C LEU A 204 60.694 0.866 9.158 1.00 0.00 C ATOM 102 O LEU A 204 61.886 1.058 8.969 1.00 0.00 O ATOM 103 CB LEU A 204 59.485 -0.605 10.815 1.00 0.00 C ATOM 104 CG LEU A 204 60.387 -1.853 10.682 1.00 0.00 C ATOM 105 CD1 LEU A 204 59.968 -2.917 11.648 1.00 0.00 C ATOM 106 CD2 LEU A 204 60.312 -2.435 9.277 1.00 0.00 C ATOM 0 H LEU A 204 58.249 1.496 10.959 1.00 0.00 H new ATOM 0 HA LEU A 204 60.980 0.893 11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 204 59.064 -0.597 11.820 1.00 0.00 H new ATOM 0 HB3 LEU A 204 58.651 -0.714 10.121 1.00 0.00 H new ATOM 0 HG LEU A 204 61.407 -1.534 10.896 1.00 0.00 H new ATOM 0 HD11 LEU A 204 60.617 -3.786 11.536 1.00 0.00 H new ATOM 0 HD12 LEU A 204 60.045 -2.535 12.666 1.00 0.00 H new ATOM 0 HD13 LEU A 204 58.937 -3.206 11.446 1.00 0.00 H new ATOM 0 HD21 LEU A 204 60.956 -3.312 9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 204 59.284 -2.723 9.057 1.00 0.00 H new ATOM 0 HD23 LEU A 204 60.642 -1.688 8.555 1.00 0.00 H new ATOM 118 N LEU A 205 59.784 0.824 8.195 1.00 0.00 N ATOM 119 CA LEU A 205 60.095 0.827 6.754 1.00 0.00 C ATOM 120 C LEU A 205 60.962 2.020 6.298 1.00 0.00 C ATOM 121 O LEU A 205 61.490 2.016 5.189 1.00 0.00 O ATOM 122 CB LEU A 205 58.798 0.756 5.911 1.00 0.00 C ATOM 123 CG LEU A 205 58.141 -0.630 5.678 1.00 0.00 C ATOM 124 CD1 LEU A 205 59.044 -1.533 4.874 1.00 0.00 C ATOM 125 CD2 LEU A 205 57.749 -1.298 6.965 1.00 0.00 C ATOM 0 H LEU A 205 58.783 0.786 8.388 1.00 0.00 H new ATOM 0 HA LEU A 205 60.695 -0.067 6.584 1.00 0.00 H new ATOM 0 HB2 LEU A 205 58.057 1.398 6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 205 59.013 1.189 4.934 1.00 0.00 H new ATOM 0 HG LEU A 205 57.229 -0.450 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 205 58.557 -2.497 4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 205 59.246 -1.077 3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 205 59.983 -1.679 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 205 57.294 -2.265 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 205 58.635 -1.444 7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 205 57.034 -0.671 7.497 1.00 0.00 H new ATOM 137 N THR A 206 61.088 3.030 7.130 1.00 0.00 N ATOM 138 CA THR A 206 61.882 4.175 6.838 1.00 0.00 C ATOM 139 C THR A 206 63.401 3.831 6.848 1.00 0.00 C ATOM 140 O THR A 206 64.169 4.348 6.021 1.00 0.00 O ATOM 141 CB THR A 206 61.569 5.259 7.873 1.00 0.00 C ATOM 142 OG1 THR A 206 60.139 5.404 7.965 1.00 0.00 O ATOM 143 CG2 THR A 206 62.166 6.581 7.469 1.00 0.00 C ATOM 0 H THR A 206 60.629 3.067 8.040 1.00 0.00 H new ATOM 0 HA THR A 206 61.642 4.533 5.837 1.00 0.00 H new ATOM 0 HB THR A 206 61.996 4.964 8.832 1.00 0.00 H new ATOM 0 HG1 THR A 206 59.922 6.094 8.626 1.00 0.00 H new ATOM 0 HG21 THR A 206 61.928 7.333 8.222 1.00 0.00 H new ATOM 0 HG22 THR A 206 63.248 6.481 7.385 1.00 0.00 H new ATOM 0 HG23 THR A 206 61.754 6.888 6.507 1.00 0.00 H new ATOM 151 N THR A 207 63.825 2.946 7.748 1.00 0.00 N ATOM 152 CA THR A 207 65.231 2.581 7.832 1.00 0.00 C ATOM 153 C THR A 207 65.396 1.043 7.847 1.00 0.00 C ATOM 154 O THR A 207 66.438 0.503 7.451 1.00 0.00 O ATOM 155 CB THR A 207 65.917 3.246 9.085 1.00 0.00 C ATOM 156 OG1 THR A 207 67.347 3.034 9.074 1.00 0.00 O ATOM 157 CG2 THR A 207 65.337 2.714 10.396 1.00 0.00 C ATOM 0 H THR A 207 63.220 2.475 8.421 1.00 0.00 H new ATOM 0 HA THR A 207 65.735 2.963 6.944 1.00 0.00 H new ATOM 0 HB THR A 207 65.714 4.315 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 207 67.747 3.458 9.862 1.00 0.00 H new ATOM 0 HG21 THR A 207 65.836 3.196 11.237 1.00 0.00 H new ATOM 0 HG22 THR A 207 64.269 2.929 10.435 1.00 0.00 H new ATOM 0 HG23 THR A 207 65.492 1.637 10.452 1.00 0.00 H new ATOM 165 N GLN A 208 64.349 0.354 8.251 1.00 0.00 N ATOM 166 CA GLN A 208 64.341 -1.069 8.330 1.00 0.00 C ATOM 167 C GLN A 208 63.695 -1.645 7.092 1.00 0.00 C ATOM 168 O GLN A 208 62.663 -1.171 6.646 1.00 0.00 O ATOM 169 CB GLN A 208 63.635 -1.525 9.598 1.00 0.00 C ATOM 170 CG GLN A 208 64.356 -1.120 10.861 1.00 0.00 C ATOM 171 CD GLN A 208 63.809 -1.815 12.084 1.00 0.00 C ATOM 172 OE1 GLN A 208 62.909 -1.314 12.762 1.00 0.00 O ATOM 173 NE2 GLN A 208 64.315 -2.989 12.354 1.00 0.00 N ATOM 0 H GLN A 208 63.470 0.787 8.536 1.00 0.00 H new ATOM 0 HA GLN A 208 65.366 -1.436 8.378 1.00 0.00 H new ATOM 0 HB2 GLN A 208 62.627 -1.110 9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 208 63.532 -2.610 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 208 65.417 -1.349 10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 208 64.274 -0.041 10.993 1.00 0.00 H new ATOM 0 HE21 GLN A 208 65.059 -3.370 11.770 1.00 0.00 H new ATOM 0 HE22 GLN A 208 63.966 -3.524 13.149 1.00 0.00 H new ATOM 182 N CYS A 209 64.343 -2.665 6.577 1.00 0.00 N ATOM 183 CA CYS A 209 64.059 -3.353 5.324 1.00 0.00 C ATOM 184 C CYS A 209 62.582 -3.587 5.145 1.00 0.00 C ATOM 185 O CYS A 209 62.002 -3.135 4.175 1.00 0.00 O ATOM 186 CB CYS A 209 64.875 -4.668 5.293 1.00 0.00 C ATOM 187 SG CYS A 209 65.510 -5.207 3.667 1.00 0.00 S ATOM 0 H CYS A 209 65.146 -3.072 7.056 1.00 0.00 H new ATOM 0 HA CYS A 209 64.361 -2.731 4.482 1.00 0.00 H new ATOM 0 HB2 CYS A 209 65.723 -4.557 5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 209 64.249 -5.465 5.694 1.00 0.00 H new ATOM 192 N GLY A 210 62.026 -4.380 6.017 1.00 0.00 N ATOM 193 CA GLY A 210 60.613 -4.553 6.127 1.00 0.00 C ATOM 194 C GLY A 210 60.031 -5.360 5.027 1.00 0.00 C ATOM 195 O GLY A 210 58.882 -5.628 5.008 1.00 0.00 O ATOM 0 H GLY A 210 62.560 -4.936 6.685 1.00 0.00 H new ATOM 0 HA2 GLY A 210 60.386 -5.033 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 210 60.135 -3.574 6.142 1.00 0.00 H new ATOM 199 N VAL A 211 60.856 -5.803 4.149 1.00 0.00 N ATOM 200 CA VAL A 211 60.424 -6.546 3.035 1.00 0.00 C ATOM 201 C VAL A 211 60.050 -7.949 3.427 1.00 0.00 C ATOM 202 O VAL A 211 60.886 -8.720 3.897 1.00 0.00 O ATOM 203 CB VAL A 211 61.499 -6.482 1.996 1.00 0.00 C ATOM 204 CG1 VAL A 211 62.843 -6.757 2.541 1.00 0.00 C ATOM 205 CG2 VAL A 211 61.164 -7.218 0.718 1.00 0.00 C ATOM 0 H VAL A 211 61.864 -5.654 4.190 1.00 0.00 H new ATOM 0 HA VAL A 211 59.512 -6.121 2.615 1.00 0.00 H new ATOM 0 HB VAL A 211 61.542 -5.440 1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 211 63.580 -6.696 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 211 63.081 -6.022 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 211 62.862 -7.756 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 211 61.993 -7.124 0.016 1.00 0.00 H new ATOM 0 HG22 VAL A 211 60.993 -8.272 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 211 60.264 -6.789 0.276 1.00 0.00 H new ATOM 215 N ILE A 212 58.785 -8.222 3.311 1.00 0.00 N ATOM 216 CA ILE A 212 58.217 -9.467 3.712 1.00 0.00 C ATOM 217 C ILE A 212 58.750 -10.588 2.866 1.00 0.00 C ATOM 218 O ILE A 212 58.654 -10.566 1.633 1.00 0.00 O ATOM 219 CB ILE A 212 56.676 -9.453 3.626 1.00 0.00 C ATOM 220 CG1 ILE A 212 56.108 -8.260 4.396 1.00 0.00 C ATOM 221 CG2 ILE A 212 56.130 -10.743 4.216 1.00 0.00 C ATOM 222 CD1 ILE A 212 54.622 -8.049 4.198 1.00 0.00 C ATOM 0 H ILE A 212 58.105 -7.567 2.925 1.00 0.00 H new ATOM 0 HA ILE A 212 58.501 -9.624 4.753 1.00 0.00 H new ATOM 0 HB ILE A 212 56.380 -9.367 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 212 56.306 -8.399 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 212 56.637 -7.358 4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 212 55.042 -10.738 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 212 56.519 -11.593 3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 212 56.437 -10.825 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 212 54.297 -7.185 4.777 1.00 0.00 H new ATOM 0 HD12 ILE A 212 54.417 -7.876 3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 212 54.081 -8.934 4.533 1.00 0.00 H new ATOM 234 N SER A 213 59.322 -11.527 3.521 1.00 0.00 N ATOM 235 CA SER A 213 59.818 -12.687 2.924 1.00 0.00 C ATOM 236 C SER A 213 58.710 -13.726 2.763 1.00 0.00 C ATOM 237 O SER A 213 58.338 -14.402 3.729 1.00 0.00 O ATOM 238 CB SER A 213 60.944 -13.196 3.781 1.00 0.00 C ATOM 239 OG SER A 213 62.112 -12.399 3.639 1.00 0.00 O ATOM 0 H SER A 213 59.458 -11.497 4.531 1.00 0.00 H new ATOM 0 HA SER A 213 60.191 -12.476 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 213 60.632 -13.203 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 213 61.171 -14.227 3.509 1.00 0.00 H new ATOM 0 HG SER A 213 62.823 -12.756 4.211 1.00 0.00 H new ATOM 245 N GLU A 214 58.119 -13.739 1.558 1.00 0.00 N ATOM 246 CA GLU A 214 57.083 -14.689 1.118 1.00 0.00 C ATOM 247 C GLU A 214 55.960 -14.873 2.176 1.00 0.00 C ATOM 248 O GLU A 214 55.465 -15.983 2.412 1.00 0.00 O ATOM 249 CB GLU A 214 57.741 -16.018 0.727 1.00 0.00 C ATOM 250 CG GLU A 214 56.842 -16.966 -0.045 1.00 0.00 C ATOM 251 CD GLU A 214 56.318 -16.335 -1.304 1.00 0.00 C ATOM 252 OE1 GLU A 214 57.091 -16.177 -2.267 1.00 0.00 O ATOM 253 OE2 GLU A 214 55.115 -15.980 -1.345 1.00 0.00 O ATOM 0 H GLU A 214 58.359 -13.061 0.834 1.00 0.00 H new ATOM 0 HA GLU A 214 56.586 -14.277 0.240 1.00 0.00 H new ATOM 0 HB2 GLU A 214 58.626 -15.807 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 214 58.083 -16.519 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 214 57.397 -17.870 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 214 56.006 -17.269 0.585 1.00 0.00 H new ATOM 260 N HIS A 215 55.558 -13.766 2.776 1.00 0.00 N ATOM 261 CA HIS A 215 54.480 -13.684 3.792 1.00 0.00 C ATOM 262 C HIS A 215 54.777 -14.400 5.123 1.00 0.00 C ATOM 263 O HIS A 215 54.696 -13.780 6.185 1.00 0.00 O ATOM 264 CB HIS A 215 53.102 -14.101 3.231 1.00 0.00 C ATOM 265 CG HIS A 215 52.579 -13.193 2.150 1.00 0.00 C ATOM 266 ND1 HIS A 215 51.525 -12.328 2.375 1.00 0.00 N ATOM 267 CD2 HIS A 215 52.991 -13.058 0.869 1.00 0.00 C ATOM 268 CE1 HIS A 215 51.332 -11.689 1.227 1.00 0.00 C ATOM 269 NE2 HIS A 215 52.190 -12.100 0.299 1.00 0.00 N ATOM 0 H HIS A 215 55.977 -12.858 2.574 1.00 0.00 H new ATOM 0 HA HIS A 215 54.443 -12.623 4.039 1.00 0.00 H new ATOM 0 HB2 HIS A 215 53.174 -15.114 2.836 1.00 0.00 H new ATOM 0 HB3 HIS A 215 52.382 -14.128 4.049 1.00 0.00 H new ATOM 0 HD2 HIS A 215 53.793 -13.598 0.388 1.00 0.00 H new ATOM 0 HE1 HIS A 215 50.576 -10.934 1.068 1.00 0.00 H new ATOM 0 HE2 HIS A 215 52.244 -11.764 -0.663 1.00 0.00 H new ATOM 277 N THR A 216 55.146 -15.663 5.059 1.00 0.00 N ATOM 278 CA THR A 216 55.321 -16.496 6.237 1.00 0.00 C ATOM 279 C THR A 216 56.535 -16.073 7.093 1.00 0.00 C ATOM 280 O THR A 216 56.450 -16.049 8.322 1.00 0.00 O ATOM 281 CB THR A 216 55.476 -17.964 5.819 1.00 0.00 C ATOM 282 OG1 THR A 216 54.544 -18.242 4.758 1.00 0.00 O ATOM 283 CG2 THR A 216 55.174 -18.891 6.991 1.00 0.00 C ATOM 0 H THR A 216 55.335 -16.147 4.181 1.00 0.00 H new ATOM 0 HA THR A 216 54.430 -16.368 6.852 1.00 0.00 H new ATOM 0 HB THR A 216 56.501 -18.133 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 216 54.634 -19.177 4.480 1.00 0.00 H new ATOM 0 HG21 THR A 216 55.289 -19.928 6.674 1.00 0.00 H new ATOM 0 HG22 THR A 216 55.865 -18.682 7.808 1.00 0.00 H new ATOM 0 HG23 THR A 216 54.151 -18.727 7.330 1.00 0.00 H new ATOM 291 N LYS A 217 57.648 -15.721 6.451 1.00 0.00 N ATOM 292 CA LYS A 217 58.858 -15.359 7.176 1.00 0.00 C ATOM 293 C LYS A 217 58.700 -13.944 7.748 1.00 0.00 C ATOM 294 O LYS A 217 59.390 -13.557 8.692 1.00 0.00 O ATOM 295 CB LYS A 217 60.047 -15.484 6.209 1.00 0.00 C ATOM 296 CG LYS A 217 61.460 -15.481 6.812 1.00 0.00 C ATOM 297 CD LYS A 217 61.981 -14.099 7.179 1.00 0.00 C ATOM 298 CE LYS A 217 63.382 -14.185 7.755 1.00 0.00 C ATOM 299 NZ LYS A 217 63.946 -12.855 8.052 1.00 0.00 N ATOM 0 H LYS A 217 57.734 -15.680 5.435 1.00 0.00 H new ATOM 0 HA LYS A 217 59.038 -16.023 8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 217 59.925 -16.409 5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 217 59.986 -14.664 5.494 1.00 0.00 H new ATOM 0 HG2 LYS A 217 61.463 -16.106 7.705 1.00 0.00 H new ATOM 0 HG3 LYS A 217 62.147 -15.938 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 217 61.985 -13.461 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 217 61.313 -13.635 7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 217 63.362 -14.781 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 217 64.031 -14.704 7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 64.903 -12.963 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 63.991 -12.294 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 63.342 -12.369 8.745 1.00 0.00 H new ATOM 313 N LYS A 218 57.753 -13.213 7.170 1.00 0.00 N ATOM 314 CA LYS A 218 57.372 -11.854 7.577 1.00 0.00 C ATOM 315 C LYS A 218 58.363 -10.814 7.100 1.00 0.00 C ATOM 316 O LYS A 218 59.253 -11.117 6.289 1.00 0.00 O ATOM 317 CB LYS A 218 57.111 -11.711 9.100 1.00 0.00 C ATOM 318 CG LYS A 218 55.892 -12.451 9.615 1.00 0.00 C ATOM 319 CD LYS A 218 55.637 -12.103 11.069 1.00 0.00 C ATOM 320 CE LYS A 218 54.393 -12.786 11.611 1.00 0.00 C ATOM 321 NZ LYS A 218 54.112 -12.372 12.999 1.00 0.00 N ATOM 0 H LYS A 218 57.208 -13.556 6.379 1.00 0.00 H new ATOM 0 HA LYS A 218 56.420 -11.668 7.080 1.00 0.00 H new ATOM 0 HB2 LYS A 218 57.989 -12.069 9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 218 57.001 -10.653 9.336 1.00 0.00 H new ATOM 0 HG2 LYS A 218 55.020 -12.191 9.014 1.00 0.00 H new ATOM 0 HG3 LYS A 218 56.041 -13.526 9.513 1.00 0.00 H new ATOM 0 HD2 LYS A 218 56.500 -12.395 11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 218 55.530 -11.023 11.169 1.00 0.00 H new ATOM 0 HE2 LYS A 218 53.539 -12.545 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 218 54.524 -13.867 11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 53.257 -12.856 13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 54.918 -12.624 13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 53.963 -11.343 13.031 1.00 0.00 H new ATOM 335 N MET A 219 58.151 -9.581 7.542 1.00 0.00 N ATOM 336 CA MET A 219 58.996 -8.440 7.199 1.00 0.00 C ATOM 337 C MET A 219 60.454 -8.665 7.489 1.00 0.00 C ATOM 338 O MET A 219 60.825 -9.345 8.452 1.00 0.00 O ATOM 339 CB MET A 219 58.562 -7.166 7.908 1.00 0.00 C ATOM 340 CG MET A 219 57.306 -6.554 7.385 1.00 0.00 C ATOM 341 SD MET A 219 57.115 -4.829 7.882 1.00 0.00 S ATOM 342 CE MET A 219 57.287 -4.936 9.642 1.00 0.00 C ATOM 0 H MET A 219 57.375 -9.340 8.159 1.00 0.00 H new ATOM 0 HA MET A 219 58.868 -8.328 6.122 1.00 0.00 H new ATOM 0 HB2 MET A 219 58.429 -7.384 8.968 1.00 0.00 H new ATOM 0 HB3 MET A 219 59.365 -6.433 7.832 1.00 0.00 H new ATOM 0 HG2 MET A 219 57.301 -6.617 6.297 1.00 0.00 H new ATOM 0 HG3 MET A 219 56.451 -7.128 7.742 1.00 0.00 H new ATOM 0 HE1 MET A 219 57.102 -3.958 10.086 1.00 0.00 H new ATOM 0 HE2 MET A 219 56.567 -5.654 10.035 1.00 0.00 H new ATOM 0 HE3 MET A 219 58.297 -5.262 9.890 1.00 0.00 H new ATOM 352 N CYS A 220 61.286 -8.090 6.658 1.00 0.00 N ATOM 353 CA CYS A 220 62.701 -8.205 6.852 1.00 0.00 C ATOM 354 C CYS A 220 63.161 -7.213 7.923 1.00 0.00 C ATOM 355 O CYS A 220 62.837 -6.053 7.859 1.00 0.00 O ATOM 356 CB CYS A 220 63.405 -7.972 5.559 1.00 0.00 C ATOM 357 SG CYS A 220 65.134 -8.284 5.643 1.00 0.00 S ATOM 0 H CYS A 220 61.006 -7.541 5.845 1.00 0.00 H new ATOM 0 HA CYS A 220 62.945 -9.210 7.196 1.00 0.00 H new ATOM 0 HB2 CYS A 220 62.964 -8.610 4.793 1.00 0.00 H new ATOM 0 HB3 CYS A 220 63.244 -6.940 5.246 1.00 0.00 H new ATOM 362 N THR A 221 63.972 -7.652 8.827 1.00 0.00 N ATOM 363 CA THR A 221 64.277 -6.865 10.019 1.00 0.00 C ATOM 364 C THR A 221 65.538 -6.008 9.916 1.00 0.00 C ATOM 365 O THR A 221 65.689 -5.024 10.650 1.00 0.00 O ATOM 366 CB THR A 221 64.313 -7.777 11.240 1.00 0.00 C ATOM 367 OG1 THR A 221 65.268 -8.850 11.019 1.00 0.00 O ATOM 368 CG2 THR A 221 62.937 -8.368 11.413 1.00 0.00 C ATOM 0 H THR A 221 64.447 -8.553 8.781 1.00 0.00 H new ATOM 0 HA THR A 221 63.471 -6.139 10.123 1.00 0.00 H new ATOM 0 HB THR A 221 64.608 -7.215 12.126 1.00 0.00 H new ATOM 0 HG1 THR A 221 65.291 -9.434 11.805 1.00 0.00 H new ATOM 0 HG21 THR A 221 62.931 -9.027 12.281 1.00 0.00 H new ATOM 0 HG22 THR A 221 62.213 -7.567 11.560 1.00 0.00 H new ATOM 0 HG23 THR A 221 62.671 -8.938 10.523 1.00 0.00 H new ATOM 376 N ARG A 222 66.446 -6.375 9.020 1.00 0.00 N ATOM 377 CA ARG A 222 67.639 -5.581 8.776 1.00 0.00 C ATOM 378 C ARG A 222 67.291 -4.281 8.127 1.00 0.00 C ATOM 379 O ARG A 222 66.148 -4.025 7.864 1.00 0.00 O ATOM 380 CB ARG A 222 68.592 -6.340 7.905 1.00 0.00 C ATOM 381 CG ARG A 222 69.207 -7.522 8.611 1.00 0.00 C ATOM 382 CD ARG A 222 70.106 -7.057 9.755 1.00 0.00 C ATOM 383 NE ARG A 222 71.122 -6.098 9.283 1.00 0.00 N ATOM 384 CZ ARG A 222 71.405 -4.908 9.845 1.00 0.00 C ATOM 385 NH1 ARG A 222 70.815 -4.532 10.982 1.00 0.00 N ATOM 386 NH2 ARG A 222 72.291 -4.103 9.264 1.00 0.00 N ATOM 0 H ARG A 222 66.377 -7.219 8.451 1.00 0.00 H new ATOM 0 HA ARG A 222 68.111 -5.374 9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 222 68.068 -6.686 7.014 1.00 0.00 H new ATOM 0 HB3 ARG A 222 69.383 -5.670 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 222 68.421 -8.170 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 222 69.787 -8.114 7.903 1.00 0.00 H new ATOM 0 HD2 ARG A 222 69.498 -6.593 10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 222 70.598 -7.918 10.207 1.00 0.00 H new ATOM 0 HE ARG A 222 71.659 -6.360 8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 222 70.141 -5.149 11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 222 71.038 -3.628 11.398 1.00 0.00 H new ATOM 0 HH21 ARG A 222 72.750 -4.389 8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 222 72.511 -3.200 9.683 1.00 0.00 H new ATOM 400 N SER A 223 68.264 -3.484 7.869 1.00 0.00 N ATOM 401 CA SER A 223 68.095 -2.221 7.198 1.00 0.00 C ATOM 402 C SER A 223 67.578 -2.437 5.736 1.00 0.00 C ATOM 403 O SER A 223 67.652 -3.536 5.221 1.00 0.00 O ATOM 404 CB SER A 223 69.456 -1.581 7.209 1.00 0.00 C ATOM 405 OG SER A 223 69.971 -1.587 8.535 1.00 0.00 O ATOM 0 H SER A 223 69.231 -3.687 8.121 1.00 0.00 H new ATOM 0 HA SER A 223 67.355 -1.591 7.691 1.00 0.00 H new ATOM 0 HB2 SER A 223 70.129 -2.121 6.543 1.00 0.00 H new ATOM 0 HB3 SER A 223 69.392 -0.559 6.837 1.00 0.00 H new ATOM 0 HG SER A 223 70.859 -1.172 8.543 1.00 0.00 H new ATOM 411 N LEU A 224 67.022 -1.407 5.121 1.00 0.00 N ATOM 412 CA LEU A 224 66.500 -1.419 3.698 1.00 0.00 C ATOM 413 C LEU A 224 67.546 -2.010 2.777 1.00 0.00 C ATOM 414 O LEU A 224 67.284 -2.944 2.002 1.00 0.00 O ATOM 415 CB LEU A 224 66.337 0.021 3.283 1.00 0.00 C ATOM 416 CG LEU A 224 65.603 0.917 4.262 1.00 0.00 C ATOM 417 CD1 LEU A 224 65.667 2.309 3.793 1.00 0.00 C ATOM 418 CD2 LEU A 224 64.172 0.488 4.395 1.00 0.00 C ATOM 0 H LEU A 224 66.902 -0.503 5.577 1.00 0.00 H new ATOM 0 HA LEU A 224 65.574 -1.991 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 224 67.327 0.442 3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 224 65.807 0.046 2.331 1.00 0.00 H new ATOM 0 HG LEU A 224 66.079 0.839 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 224 65.140 2.954 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 224 66.709 2.622 3.724 1.00 0.00 H new ATOM 0 HD13 LEU A 224 65.200 2.384 2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 224 63.660 1.142 5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 224 63.682 0.549 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 224 64.132 -0.539 4.757 1.00 0.00 H new ATOM 430 N ARG A 225 68.755 -1.532 2.985 1.00 0.00 N ATOM 431 CA ARG A 225 69.945 -1.813 2.208 1.00 0.00 C ATOM 432 C ARG A 225 70.446 -3.259 2.401 1.00 0.00 C ATOM 433 O ARG A 225 71.361 -3.701 1.710 1.00 0.00 O ATOM 434 CB ARG A 225 71.004 -0.850 2.713 1.00 0.00 C ATOM 435 CG ARG A 225 72.320 -0.927 2.020 1.00 0.00 C ATOM 436 CD ARG A 225 72.245 -0.355 0.610 1.00 0.00 C ATOM 437 NE ARG A 225 71.789 1.049 0.603 1.00 0.00 N ATOM 438 CZ ARG A 225 71.127 1.635 -0.408 1.00 0.00 C ATOM 439 NH1 ARG A 225 70.810 0.934 -1.497 1.00 0.00 N ATOM 440 NH2 ARG A 225 70.778 2.917 -0.325 1.00 0.00 N ATOM 0 H ARG A 225 68.946 -0.892 3.756 1.00 0.00 H new ATOM 0 HA ARG A 225 69.730 -1.696 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 225 70.622 0.166 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 225 71.161 -1.034 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 225 73.068 -0.381 2.596 1.00 0.00 H new ATOM 0 HG3 ARG A 225 72.648 -1.965 1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 225 73.227 -0.419 0.141 1.00 0.00 H new ATOM 0 HD3 ARG A 225 71.565 -0.959 0.010 1.00 0.00 H new ATOM 0 HE ARG A 225 71.992 1.616 1.427 1.00 0.00 H new ATOM 0 HH11 ARG A 225 71.070 -0.050 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 225 70.307 1.382 -2.263 1.00 0.00 H new ATOM 0 HH21 ARG A 225 71.013 3.457 0.508 1.00 0.00 H new ATOM 0 HH22 ARG A 225 70.275 3.360 -1.094 1.00 0.00 H new ATOM 454 N CYS A 226 69.816 -3.965 3.317 1.00 0.00 N ATOM 455 CA CYS A 226 70.178 -5.315 3.734 1.00 0.00 C ATOM 456 C CYS A 226 70.763 -6.272 2.636 1.00 0.00 C ATOM 457 O CYS A 226 71.897 -6.709 2.764 1.00 0.00 O ATOM 458 CB CYS A 226 68.973 -5.875 4.466 1.00 0.00 C ATOM 459 SG CYS A 226 68.483 -7.540 4.169 1.00 0.00 S ATOM 0 H CYS A 226 69.003 -3.604 3.816 1.00 0.00 H new ATOM 0 HA CYS A 226 71.048 -5.246 4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 226 69.163 -5.775 5.535 1.00 0.00 H new ATOM 0 HB3 CYS A 226 68.121 -5.236 4.232 1.00 0.00 H new ATOM 464 N PRO A 227 70.016 -6.616 1.575 1.00 0.00 N ATOM 465 CA PRO A 227 70.430 -7.577 0.571 1.00 0.00 C ATOM 466 C PRO A 227 70.299 -6.950 -0.855 1.00 0.00 C ATOM 467 O PRO A 227 70.947 -5.950 -1.167 1.00 0.00 O ATOM 468 CB PRO A 227 69.284 -8.561 0.829 1.00 0.00 C ATOM 469 CG PRO A 227 68.134 -7.643 1.152 1.00 0.00 C ATOM 470 CD PRO A 227 68.684 -6.251 1.277 1.00 0.00 C ATOM 0 HA PRO A 227 71.449 -7.962 0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 227 69.076 -9.180 -0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 227 69.508 -9.237 1.654 1.00 0.00 H new ATOM 0 HG2 PRO A 227 67.378 -7.687 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 227 67.650 -7.948 2.080 1.00 0.00 H new ATOM 0 HD2 PRO A 227 68.593 -5.670 0.359 1.00 0.00 H new ATOM 0 HD3 PRO A 227 68.210 -5.672 2.069 1.00 0.00 H new ATOM 478 N GLN A 228 69.401 -7.504 -1.668 1.00 0.00 N ATOM 479 CA GLN A 228 69.113 -6.987 -2.954 1.00 0.00 C ATOM 480 C GLN A 228 67.627 -6.634 -2.916 1.00 0.00 C ATOM 481 O GLN A 228 66.950 -6.504 -3.932 1.00 0.00 O ATOM 482 CB GLN A 228 69.415 -8.040 -4.009 1.00 0.00 C ATOM 483 CG GLN A 228 69.529 -7.495 -5.418 1.00 0.00 C ATOM 484 CD GLN A 228 69.857 -8.566 -6.424 1.00 0.00 C ATOM 485 OE1 GLN A 228 70.538 -8.311 -7.411 1.00 0.00 O ATOM 486 NE2 GLN A 228 69.384 -9.761 -6.197 1.00 0.00 N ATOM 0 H GLN A 228 68.860 -8.334 -1.425 1.00 0.00 H new ATOM 0 HA GLN A 228 69.715 -6.114 -3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 228 70.347 -8.541 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 228 68.630 -8.796 -3.987 1.00 0.00 H new ATOM 0 HG2 GLN A 228 68.591 -7.015 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 228 70.301 -6.726 -5.446 1.00 0.00 H new ATOM 0 HE21 GLN A 228 68.821 -9.937 -5.365 1.00 0.00 H new ATOM 0 HE22 GLN A 228 69.578 -10.519 -6.852 1.00 0.00 H new ATOM 495 N HIS A 229 67.126 -6.533 -1.678 1.00 0.00 N ATOM 496 CA HIS A 229 65.808 -6.085 -1.409 1.00 0.00 C ATOM 497 C HIS A 229 65.774 -4.616 -1.743 1.00 0.00 C ATOM 498 O HIS A 229 66.351 -3.800 -1.043 1.00 0.00 O ATOM 499 CB HIS A 229 65.361 -6.304 0.061 1.00 0.00 C ATOM 500 CG HIS A 229 65.080 -7.777 0.529 1.00 0.00 C ATOM 501 ND1 HIS A 229 65.299 -8.295 1.908 1.00 0.00 N ATOM 502 CD2 HIS A 229 64.325 -8.675 -0.112 1.00 0.00 C ATOM 503 CE1 HIS A 229 64.605 -9.376 1.947 1.00 0.00 C ATOM 504 NE2 HIS A 229 64.024 -9.677 0.775 1.00 0.00 N ATOM 0 H HIS A 229 67.657 -6.771 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 229 65.111 -6.668 -2.012 1.00 0.00 H new ATOM 0 HB2 HIS A 229 66.130 -5.887 0.711 1.00 0.00 H new ATOM 0 HB3 HIS A 229 64.455 -5.721 0.226 1.00 0.00 H new ATOM 0 HD2 HIS A 229 64.009 -8.621 -1.143 1.00 0.00 H new ATOM 0 HE1 HIS A 229 64.500 -9.982 2.835 1.00 0.00 H new ATOM 0 HE2 HIS A 229 63.459 -10.504 0.579 1.00 0.00 H new ATOM 512 N THR A 230 65.113 -4.332 -2.787 1.00 0.00 N ATOM 513 CA THR A 230 65.076 -3.034 -3.437 1.00 0.00 C ATOM 514 C THR A 230 64.078 -2.090 -2.792 1.00 0.00 C ATOM 515 O THR A 230 63.310 -2.484 -1.910 1.00 0.00 O ATOM 516 CB THR A 230 64.661 -3.229 -4.915 1.00 0.00 C ATOM 517 OG1 THR A 230 63.401 -3.917 -4.942 1.00 0.00 O ATOM 518 CG2 THR A 230 65.675 -4.066 -5.658 1.00 0.00 C ATOM 0 H THR A 230 64.536 -5.024 -3.264 1.00 0.00 H new ATOM 0 HA THR A 230 66.070 -2.595 -3.346 1.00 0.00 H new ATOM 0 HB THR A 230 64.594 -2.252 -5.393 1.00 0.00 H new ATOM 0 HG1 THR A 230 63.120 -4.049 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 230 65.358 -4.187 -6.694 1.00 0.00 H new ATOM 0 HG22 THR A 230 66.646 -3.571 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 230 65.754 -5.045 -5.186 1.00 0.00 H new ATOM 526 N ASP A 231 64.062 -0.861 -3.286 1.00 0.00 N ATOM 527 CA ASP A 231 63.125 0.190 -2.871 1.00 0.00 C ATOM 528 C ASP A 231 61.692 -0.221 -3.128 1.00 0.00 C ATOM 529 O ASP A 231 60.771 0.187 -2.425 1.00 0.00 O ATOM 530 CB ASP A 231 63.422 1.524 -3.607 1.00 0.00 C ATOM 531 CG ASP A 231 63.546 1.441 -5.118 1.00 0.00 C ATOM 532 OD1 ASP A 231 64.438 0.730 -5.620 1.00 0.00 O ATOM 533 OD2 ASP A 231 62.770 2.112 -5.828 1.00 0.00 O ATOM 0 H ASP A 231 64.715 -0.552 -4.006 1.00 0.00 H new ATOM 0 HA ASP A 231 63.261 0.338 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 231 62.629 2.232 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 231 64.349 1.936 -3.209 1.00 0.00 H new ATOM 538 N GLU A 232 61.530 -1.073 -4.089 1.00 0.00 N ATOM 539 CA GLU A 232 60.257 -1.555 -4.528 1.00 0.00 C ATOM 540 C GLU A 232 59.758 -2.610 -3.594 1.00 0.00 C ATOM 541 O GLU A 232 58.572 -2.695 -3.277 1.00 0.00 O ATOM 542 CB GLU A 232 60.468 -2.090 -5.906 1.00 0.00 C ATOM 543 CG GLU A 232 60.788 -0.974 -6.850 1.00 0.00 C ATOM 544 CD GLU A 232 59.557 -0.214 -7.178 1.00 0.00 C ATOM 545 OE1 GLU A 232 59.205 0.698 -6.434 1.00 0.00 O ATOM 546 OE2 GLU A 232 58.861 -0.576 -8.141 1.00 0.00 O ATOM 0 H GLU A 232 62.312 -1.469 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 232 59.502 -0.768 -4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 232 61.281 -2.817 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 232 59.573 -2.615 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 232 61.527 -0.309 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 232 61.231 -1.375 -7.762 1.00 0.00 H new ATOM 553 N GLN A 233 60.687 -3.352 -3.115 1.00 0.00 N ATOM 554 CA GLN A 233 60.471 -4.420 -2.214 1.00 0.00 C ATOM 555 C GLN A 233 59.955 -3.944 -0.863 1.00 0.00 C ATOM 556 O GLN A 233 59.095 -4.565 -0.257 1.00 0.00 O ATOM 557 CB GLN A 233 61.768 -5.215 -2.151 1.00 0.00 C ATOM 558 CG GLN A 233 61.837 -6.183 -3.306 1.00 0.00 C ATOM 559 CD GLN A 233 63.033 -7.058 -3.326 1.00 0.00 C ATOM 560 OE1 GLN A 233 63.053 -8.134 -2.744 1.00 0.00 O ATOM 561 NE2 GLN A 233 64.012 -6.642 -4.058 1.00 0.00 N ATOM 0 H GLN A 233 61.670 -3.223 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 233 59.673 -5.075 -2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 233 62.621 -4.537 -2.182 1.00 0.00 H new ATOM 0 HB3 GLN A 233 61.826 -5.757 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN A 233 60.947 -6.812 -3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 233 61.806 -5.616 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 233 63.951 -5.737 -4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 233 64.846 -7.218 -4.169 1.00 0.00 H new ATOM 570 N ARG A 234 60.440 -2.822 -0.444 1.00 0.00 N ATOM 571 CA ARG A 234 60.039 -2.225 0.826 1.00 0.00 C ATOM 572 C ARG A 234 58.725 -1.490 0.624 1.00 0.00 C ATOM 573 O ARG A 234 57.850 -1.451 1.494 1.00 0.00 O ATOM 574 CB ARG A 234 61.136 -1.281 1.255 1.00 0.00 C ATOM 575 CG ARG A 234 62.466 -1.888 0.952 1.00 0.00 C ATOM 576 CD ARG A 234 63.609 -1.082 1.366 1.00 0.00 C ATOM 577 NE ARG A 234 64.770 -1.522 0.595 1.00 0.00 N ATOM 578 CZ ARG A 234 65.665 -0.691 0.036 1.00 0.00 C ATOM 579 NH1 ARG A 234 65.526 0.617 0.161 1.00 0.00 N ATOM 580 NH2 ARG A 234 66.669 -1.181 -0.671 1.00 0.00 N ATOM 0 H ARG A 234 61.130 -2.277 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 234 59.892 -2.979 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 234 61.033 -0.328 0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 234 61.054 -1.073 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 234 62.527 -2.860 1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 234 62.533 -2.066 -0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 234 63.413 -0.024 1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 234 63.793 -1.200 2.434 1.00 0.00 H new ATOM 0 HE ARG A 234 64.910 -2.525 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 234 64.737 0.998 0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 234 66.207 1.245 -0.265 1.00 0.00 H new ATOM 0 HH21 ARG A 234 66.763 -2.189 -0.792 1.00 0.00 H new ATOM 0 HH22 ARG A 234 67.349 -0.551 -1.096 1.00 0.00 H new ATOM 594 N ARG A 235 58.590 -0.949 -0.566 1.00 0.00 N ATOM 595 CA ARG A 235 57.379 -0.211 -0.987 1.00 0.00 C ATOM 596 C ARG A 235 56.182 -1.123 -0.962 1.00 0.00 C ATOM 597 O ARG A 235 55.122 -0.784 -0.421 1.00 0.00 O ATOM 598 CB ARG A 235 57.542 0.375 -2.390 1.00 0.00 C ATOM 599 CG ARG A 235 56.301 1.104 -2.883 1.00 0.00 C ATOM 600 CD ARG A 235 56.564 1.926 -4.126 1.00 0.00 C ATOM 601 NE ARG A 235 56.839 1.150 -5.355 1.00 0.00 N ATOM 602 CZ ARG A 235 55.955 0.915 -6.356 1.00 0.00 C ATOM 603 NH1 ARG A 235 54.653 1.180 -6.202 1.00 0.00 N ATOM 604 NH2 ARG A 235 56.390 0.402 -7.500 1.00 0.00 N ATOM 0 H ARG A 235 59.311 -0.999 -1.286 1.00 0.00 H new ATOM 0 HA ARG A 235 57.231 0.610 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 235 58.386 1.065 -2.393 1.00 0.00 H new ATOM 0 HB3 ARG A 235 57.784 -0.428 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 235 55.516 0.377 -3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 235 55.929 1.756 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 235 55.701 2.566 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 235 57.413 2.582 -3.934 1.00 0.00 H new ATOM 0 HE ARG A 235 57.775 0.758 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 235 54.312 1.565 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 235 54.002 0.997 -6.965 1.00 0.00 H new ATOM 0 HH21 ARG A 235 57.380 0.189 -7.619 1.00 0.00 H new ATOM 0 HH22 ARG A 235 55.734 0.221 -8.260 1.00 0.00 H new ATOM 618 N THR A 236 56.389 -2.276 -1.530 1.00 0.00 N ATOM 619 CA THR A 236 55.444 -3.355 -1.590 1.00 0.00 C ATOM 620 C THR A 236 54.847 -3.694 -0.203 1.00 0.00 C ATOM 621 O THR A 236 53.666 -4.028 -0.082 1.00 0.00 O ATOM 622 CB THR A 236 56.175 -4.565 -2.236 1.00 0.00 C ATOM 623 OG1 THR A 236 55.995 -4.583 -3.663 1.00 0.00 O ATOM 624 CG2 THR A 236 55.878 -5.905 -1.585 1.00 0.00 C ATOM 0 H THR A 236 57.271 -2.501 -1.990 1.00 0.00 H new ATOM 0 HA THR A 236 54.583 -3.070 -2.195 1.00 0.00 H new ATOM 0 HB THR A 236 57.235 -4.409 -2.038 1.00 0.00 H new ATOM 0 HG1 THR A 236 56.467 -5.353 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 236 56.430 -6.690 -2.101 1.00 0.00 H new ATOM 0 HG22 THR A 236 56.180 -5.876 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 236 54.810 -6.111 -1.648 1.00 0.00 H new ATOM 632 N VAL A 237 55.647 -3.547 0.809 1.00 0.00 N ATOM 633 CA VAL A 237 55.257 -3.848 2.152 1.00 0.00 C ATOM 634 C VAL A 237 54.433 -2.734 2.768 1.00 0.00 C ATOM 635 O VAL A 237 53.417 -2.982 3.408 1.00 0.00 O ATOM 636 CB VAL A 237 56.496 -4.129 2.976 1.00 0.00 C ATOM 637 CG1 VAL A 237 56.196 -4.208 4.444 1.00 0.00 C ATOM 638 CG2 VAL A 237 57.113 -5.397 2.488 1.00 0.00 C ATOM 0 H VAL A 237 56.605 -3.209 0.723 1.00 0.00 H new ATOM 0 HA VAL A 237 54.620 -4.732 2.139 1.00 0.00 H new ATOM 0 HB VAL A 237 57.194 -3.301 2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 237 57.116 -4.411 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 237 55.774 -3.261 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 237 55.480 -5.009 4.626 1.00 0.00 H new ATOM 0 HG21 VAL A 237 58.008 -5.614 3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 237 56.400 -6.214 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 237 57.382 -5.290 1.437 1.00 0.00 H new ATOM 648 N ARG A 238 54.854 -1.523 2.551 1.00 0.00 N ATOM 649 CA ARG A 238 54.164 -0.354 3.081 1.00 0.00 C ATOM 650 C ARG A 238 52.774 -0.268 2.498 1.00 0.00 C ATOM 651 O ARG A 238 51.805 -0.025 3.201 1.00 0.00 O ATOM 652 CB ARG A 238 54.917 0.891 2.690 1.00 0.00 C ATOM 653 CG ARG A 238 56.300 1.009 3.261 1.00 0.00 C ATOM 654 CD ARG A 238 57.088 1.972 2.427 1.00 0.00 C ATOM 655 NE ARG A 238 58.343 2.401 3.022 1.00 0.00 N ATOM 656 CZ ARG A 238 58.514 3.565 3.661 1.00 0.00 C ATOM 657 NH1 ARG A 238 57.462 4.296 4.015 1.00 0.00 N ATOM 658 NH2 ARG A 238 59.722 3.967 3.987 1.00 0.00 N ATOM 0 H ARG A 238 55.685 -1.303 2.002 1.00 0.00 H new ATOM 0 HA ARG A 238 54.107 -0.441 4.166 1.00 0.00 H new ATOM 0 HB2 ARG A 238 54.986 0.928 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 238 54.337 1.760 3.002 1.00 0.00 H new ATOM 0 HG2 ARG A 238 56.253 1.355 4.294 1.00 0.00 H new ATOM 0 HG3 ARG A 238 56.787 0.034 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 238 57.298 1.510 1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 238 56.474 2.851 2.233 1.00 0.00 H new ATOM 0 HE ARG A 238 59.145 1.775 2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 238 56.519 3.971 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 238 57.597 5.182 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 238 60.531 3.392 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 238 59.850 4.854 4.474 1.00 0.00 H new ATOM 672 N VAL A 239 52.690 -0.514 1.221 1.00 0.00 N ATOM 673 CA VAL A 239 51.445 -0.413 0.510 1.00 0.00 C ATOM 674 C VAL A 239 50.526 -1.577 0.906 1.00 0.00 C ATOM 675 O VAL A 239 49.308 -1.507 0.808 1.00 0.00 O ATOM 676 CB VAL A 239 51.730 -0.388 -1.007 1.00 0.00 C ATOM 677 CG1 VAL A 239 51.905 -1.742 -1.625 1.00 0.00 C ATOM 678 CG2 VAL A 239 50.780 0.476 -1.769 1.00 0.00 C ATOM 0 H VAL A 239 53.483 -0.791 0.642 1.00 0.00 H new ATOM 0 HA VAL A 239 50.930 0.512 0.772 1.00 0.00 H new ATOM 0 HB VAL A 239 52.708 0.086 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 239 52.101 -1.633 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 239 52.744 -2.252 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 239 50.997 -2.328 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 239 51.035 0.450 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 239 49.763 0.108 -1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 239 50.848 1.501 -1.404 1.00 0.00 H new ATOM 688 N TYR A 240 51.151 -2.634 1.334 1.00 0.00 N ATOM 689 CA TYR A 240 50.452 -3.800 1.862 1.00 0.00 C ATOM 690 C TYR A 240 49.896 -3.518 3.276 1.00 0.00 C ATOM 691 O TYR A 240 48.702 -3.694 3.531 1.00 0.00 O ATOM 692 CB TYR A 240 51.419 -5.016 1.891 1.00 0.00 C ATOM 693 CG TYR A 240 50.912 -6.244 2.627 1.00 0.00 C ATOM 694 CD1 TYR A 240 50.176 -7.226 1.983 1.00 0.00 C ATOM 695 CD2 TYR A 240 51.181 -6.411 3.978 1.00 0.00 C ATOM 696 CE1 TYR A 240 49.719 -8.335 2.669 1.00 0.00 C ATOM 697 CE2 TYR A 240 50.735 -7.504 4.666 1.00 0.00 C ATOM 698 CZ TYR A 240 49.999 -8.469 4.011 1.00 0.00 C ATOM 699 OH TYR A 240 49.537 -9.574 4.706 1.00 0.00 O ATOM 0 H TYR A 240 52.167 -2.726 1.332 1.00 0.00 H new ATOM 0 HA TYR A 240 49.608 -4.027 1.211 1.00 0.00 H new ATOM 0 HB2 TYR A 240 51.647 -5.300 0.864 1.00 0.00 H new ATOM 0 HB3 TYR A 240 52.356 -4.701 2.351 1.00 0.00 H new ATOM 0 HD1 TYR A 240 49.957 -7.123 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 240 51.756 -5.659 4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 240 49.145 -9.093 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 240 50.958 -7.612 5.717 1.00 0.00 H new ATOM 0 HH TYR A 240 49.823 -9.515 5.642 1.00 0.00 H new ATOM 709 N PHE A 241 50.763 -3.058 4.164 1.00 0.00 N ATOM 710 CA PHE A 241 50.415 -2.839 5.565 1.00 0.00 C ATOM 711 C PHE A 241 49.658 -1.575 5.844 1.00 0.00 C ATOM 712 O PHE A 241 48.569 -1.615 6.429 1.00 0.00 O ATOM 713 CB PHE A 241 51.675 -2.779 6.397 1.00 0.00 C ATOM 714 CG PHE A 241 52.228 -4.078 6.835 1.00 0.00 C ATOM 715 CD1 PHE A 241 51.525 -4.904 7.696 1.00 0.00 C ATOM 716 CD2 PHE A 241 53.455 -4.461 6.411 1.00 0.00 C ATOM 717 CE1 PHE A 241 52.066 -6.103 8.118 1.00 0.00 C ATOM 718 CE2 PHE A 241 54.008 -5.649 6.828 1.00 0.00 C ATOM 719 CZ PHE A 241 53.317 -6.471 7.681 1.00 0.00 C ATOM 0 H PHE A 241 51.730 -2.825 3.937 1.00 0.00 H new ATOM 0 HA PHE A 241 49.766 -3.677 5.820 1.00 0.00 H new ATOM 0 HB2 PHE A 241 52.440 -2.256 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 241 51.473 -2.176 7.282 1.00 0.00 H new ATOM 0 HD1 PHE A 241 50.545 -4.608 8.041 1.00 0.00 H new ATOM 0 HD2 PHE A 241 54.008 -3.825 5.736 1.00 0.00 H new ATOM 0 HE1 PHE A 241 51.511 -6.746 8.785 1.00 0.00 H new ATOM 0 HE2 PHE A 241 54.990 -5.936 6.482 1.00 0.00 H new ATOM 0 HZ PHE A 241 53.753 -7.403 8.008 1.00 0.00 H new ATOM 729 N LEU A 242 50.190 -0.464 5.412 1.00 0.00 N ATOM 730 CA LEU A 242 49.623 0.793 5.797 1.00 0.00 C ATOM 731 C LEU A 242 48.557 1.307 4.846 1.00 0.00 C ATOM 732 O LEU A 242 47.742 2.152 5.231 1.00 0.00 O ATOM 733 CB LEU A 242 50.675 1.870 6.260 1.00 0.00 C ATOM 734 CG LEU A 242 52.017 1.968 5.520 1.00 0.00 C ATOM 735 CD1 LEU A 242 52.564 3.370 5.669 1.00 0.00 C ATOM 736 CD2 LEU A 242 53.036 0.995 6.138 1.00 0.00 C ATOM 0 H LEU A 242 51.005 -0.406 4.801 1.00 0.00 H new ATOM 0 HA LEU A 242 49.073 0.573 6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 242 50.194 2.846 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 242 50.892 1.686 7.312 1.00 0.00 H new ATOM 0 HG LEU A 242 51.857 1.721 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 242 53.517 3.446 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 242 51.858 4.083 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 242 52.712 3.593 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 242 53.984 1.073 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 242 53.188 1.246 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 242 52.659 -0.025 6.060 1.00 0.00 H new ATOM 748 N GLY A 243 48.519 0.783 3.632 1.00 0.00 N ATOM 749 CA GLY A 243 47.453 1.157 2.731 1.00 0.00 C ATOM 750 C GLY A 243 47.871 1.204 1.270 1.00 0.00 C ATOM 751 O GLY A 243 49.027 1.467 0.969 1.00 0.00 O ATOM 0 H GLY A 243 49.195 0.116 3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 243 46.632 0.449 2.841 1.00 0.00 H new ATOM 0 HA3 GLY A 243 47.071 2.136 3.021 1.00 0.00 H new ATOM 755 N PRO A 244 46.936 0.942 0.327 1.00 0.00 N ATOM 756 CA PRO A 244 47.199 1.002 -1.126 1.00 0.00 C ATOM 757 C PRO A 244 47.690 2.384 -1.598 1.00 0.00 C ATOM 758 O PRO A 244 48.327 2.511 -2.651 1.00 0.00 O ATOM 759 CB PRO A 244 45.838 0.702 -1.753 1.00 0.00 C ATOM 760 CG PRO A 244 45.097 -0.049 -0.712 1.00 0.00 C ATOM 761 CD PRO A 244 45.562 0.499 0.603 1.00 0.00 C ATOM 0 HA PRO A 244 47.990 0.306 -1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 244 45.317 1.620 -2.024 1.00 0.00 H new ATOM 0 HB3 PRO A 244 45.944 0.114 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 244 44.021 0.080 -0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 244 45.300 -1.118 -0.783 1.00 0.00 H new ATOM 0 HD2 PRO A 244 44.934 1.325 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 244 45.535 -0.259 1.385 1.00 0.00 H new ATOM 769 N SER A 245 47.405 3.398 -0.836 1.00 0.00 N ATOM 770 CA SER A 245 47.825 4.732 -1.167 1.00 0.00 C ATOM 771 C SER A 245 48.874 5.212 -0.147 1.00 0.00 C ATOM 772 O SER A 245 49.097 6.408 0.027 1.00 0.00 O ATOM 773 CB SER A 245 46.599 5.646 -1.183 1.00 0.00 C ATOM 774 OG SER A 245 45.591 5.117 -2.045 1.00 0.00 O ATOM 0 H SER A 245 46.875 3.326 0.033 1.00 0.00 H new ATOM 0 HA SER A 245 48.287 4.753 -2.154 1.00 0.00 H new ATOM 0 HB2 SER A 245 46.203 5.751 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 245 46.886 6.643 -1.518 1.00 0.00 H new ATOM 0 HG SER A 245 44.813 5.713 -2.043 1.00 0.00 H new ATOM 780 N ALA A 246 49.559 4.263 0.481 1.00 0.00 N ATOM 781 CA ALA A 246 50.556 4.583 1.491 1.00 0.00 C ATOM 782 C ALA A 246 51.953 4.520 0.901 1.00 0.00 C ATOM 783 O ALA A 246 52.917 4.066 1.553 1.00 0.00 O ATOM 784 CB ALA A 246 50.442 3.619 2.634 1.00 0.00 C ATOM 0 H ALA A 246 49.441 3.265 0.307 1.00 0.00 H new ATOM 0 HA ALA A 246 50.378 5.596 1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 246 51.190 3.860 3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 246 49.447 3.691 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 246 50.607 2.604 2.272 1.00 0.00 H new ATOM 790 N VAL A 247 52.090 5.003 -0.306 1.00 0.00 N ATOM 791 CA VAL A 247 53.362 4.991 -0.958 1.00 0.00 C ATOM 792 C VAL A 247 54.180 6.186 -0.508 1.00 0.00 C ATOM 793 O VAL A 247 54.111 7.278 -1.075 1.00 0.00 O ATOM 794 CB VAL A 247 53.254 4.970 -2.488 1.00 0.00 C ATOM 795 CG1 VAL A 247 54.640 4.873 -3.123 1.00 0.00 C ATOM 796 CG2 VAL A 247 52.356 3.834 -2.962 1.00 0.00 C ATOM 0 H VAL A 247 51.332 5.409 -0.854 1.00 0.00 H new ATOM 0 HA VAL A 247 53.860 4.065 -0.669 1.00 0.00 H new ATOM 0 HB VAL A 247 52.797 5.907 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 247 54.543 4.859 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 247 55.239 5.733 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 247 55.129 3.957 -2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 247 52.299 3.845 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 247 52.769 2.881 -2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 247 51.357 3.962 -2.545 1.00 0.00 H new ATOM 806 N LEU A 248 54.856 5.982 0.562 1.00 0.00 N ATOM 807 CA LEU A 248 55.744 6.956 1.125 1.00 0.00 C ATOM 808 C LEU A 248 57.092 6.834 0.431 1.00 0.00 C ATOM 809 O LEU A 248 57.411 5.767 -0.122 1.00 0.00 O ATOM 810 CB LEU A 248 55.869 6.739 2.635 1.00 0.00 C ATOM 811 CG LEU A 248 54.564 6.749 3.439 1.00 0.00 C ATOM 812 CD1 LEU A 248 54.868 6.606 4.908 1.00 0.00 C ATOM 813 CD2 LEU A 248 53.757 8.018 3.181 1.00 0.00 C ATOM 0 H LEU A 248 54.812 5.112 1.092 1.00 0.00 H new ATOM 0 HA LEU A 248 55.355 7.963 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 248 56.365 5.783 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 248 56.523 7.512 3.038 1.00 0.00 H new ATOM 0 HG LEU A 248 53.957 5.904 3.114 1.00 0.00 H new ATOM 0 HD11 LEU A 248 53.937 6.614 5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 248 55.391 5.665 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 248 55.497 7.435 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 248 52.839 7.991 3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 248 54.346 8.889 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 248 53.509 8.082 2.122 1.00 0.00 H new ATOM 825 N PRO A 249 57.900 7.888 0.457 1.00 0.00 N ATOM 826 CA PRO A 249 59.133 7.962 -0.308 1.00 0.00 C ATOM 827 C PRO A 249 60.300 7.201 0.308 1.00 0.00 C ATOM 828 O PRO A 249 60.672 7.423 1.469 1.00 0.00 O ATOM 829 CB PRO A 249 59.444 9.474 -0.334 1.00 0.00 C ATOM 830 CG PRO A 249 58.265 10.122 0.319 1.00 0.00 C ATOM 831 CD PRO A 249 57.715 9.105 1.237 1.00 0.00 C ATOM 0 HA PRO A 249 59.006 7.502 -1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 249 60.365 9.697 0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 249 59.576 9.832 -1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 249 58.561 11.021 0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 249 57.524 10.425 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 249 58.253 9.072 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 249 56.666 9.287 1.472 1.00 0.00 H new TER 839 PRO A 249 HETATM 840 ZN ZN A 500 66.144 -7.434 3.761 1.00 0.00 ZN