USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 495 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 Set 1.1: A 242 HIS : no HD1:sc= -0.0221 X(o=-0.24,f=-0.52) USER MOD Set 1.2: A 246 GLN : amide:sc= -0.218 X(o=-0.24,f=-0.26) USER MOD Set 2.1: A -4 GLY N :NH3+ -178:sc= -0.583 (180deg=0) USER MOD Set 2.2: A 263 ASN : amide:sc= -1.91 K(o=-2.5,f=-5.3!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 212 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 215 LYS NZ :NH3+ -122:sc= -0.92 (180deg=-2.74!) USER MOD Single : A 216 MET CE :methyl 157:sc= -0.164 (180deg=-1.13) USER MOD Single : A 217 SER OG : rot 77:sc= 0.805 USER MOD Single : A 218 LYS NZ :NH3+ -163:sc= -0.0254 (180deg=-0.378) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 TYR OH : rot 180:sc= -0.365 USER MOD Single : A 226 LYS NZ :NH3+ -166:sc=-0.00576 (180deg=-0.218) USER MOD Single : A 228 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 231 SER OG : rot 180:sc= 0 USER MOD Single : A 235 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 236 SER OG : rot -180:sc= -0.229 USER MOD Single : A 237 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= 0 X(o=0,f=0.23) USER MOD Single : A 243 GLN : amide:sc= -4.64! C(o=-4.6!,f=-4.3!) USER MOD Single : A 247 SER OG : rot -66:sc= 0.74 USER MOD Single : A 249 ASN : amide:sc= -4.08! C(o=-4.1!,f=-13!) USER MOD Single : A 250 MET CE :methyl 143:sc= -0.235 (180deg=-1.24) USER MOD Single : A 253 ASN : amide:sc= -0.435 K(o=-0.44,f=-2.3) USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 257 SER OG : rot -15:sc= 0.962 USER MOD Single : A 258 SER OG : rot 56:sc= 0.207 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 58.206 22.674 -3.175 1.00 0.00 N ATOM 2 CA GLY A -4 58.086 21.191 -3.147 1.00 0.00 C ATOM 3 C GLY A -4 56.623 20.793 -3.308 1.00 0.00 C ATOM 4 O GLY A -4 55.727 21.636 -3.239 1.00 0.00 O ATOM 0 H1 GLY A -4 59.208 22.943 -3.099 1.00 0.00 H new ATOM 0 H2 GLY A -4 57.817 23.037 -4.069 1.00 0.00 H new ATOM 0 H3 GLY A -4 57.677 23.080 -2.377 1.00 0.00 H new ATOM 0 HA2 GLY A -4 58.683 20.753 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A -4 58.478 20.802 -2.207 1.00 0.00 H new ATOM 10 N PRO A -3 56.370 19.530 -3.516 1.00 0.00 N ATOM 11 CA PRO A -3 54.984 19.003 -3.690 1.00 0.00 C ATOM 12 C PRO A -3 54.164 19.112 -2.410 1.00 0.00 C ATOM 13 O PRO A -3 52.933 19.098 -2.446 1.00 0.00 O ATOM 14 CB PRO A -3 55.199 17.532 -4.086 1.00 0.00 C ATOM 15 CG PRO A -3 56.555 17.180 -3.561 1.00 0.00 C ATOM 16 CD PRO A -3 57.380 18.466 -3.608 1.00 0.00 C ATOM 0 HA PRO A -3 54.421 19.568 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A -3 54.431 16.891 -3.654 1.00 0.00 H new ATOM 0 HB3 PRO A -3 55.150 17.404 -5.167 1.00 0.00 H new ATOM 0 HG2 PRO A -3 56.490 16.797 -2.543 1.00 0.00 H new ATOM 0 HG3 PRO A -3 57.016 16.400 -4.167 1.00 0.00 H new ATOM 0 HD2 PRO A -3 58.091 18.516 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A -3 57.956 18.539 -4.530 1.00 0.00 H new ATOM 24 N LEU A -2 54.852 19.203 -1.279 1.00 0.00 N ATOM 25 CA LEU A -2 54.178 19.299 0.008 1.00 0.00 C ATOM 26 C LEU A -2 52.977 18.354 0.066 1.00 0.00 C ATOM 27 O LEU A -2 52.019 18.592 0.803 1.00 0.00 O ATOM 28 CB LEU A -2 53.708 20.740 0.241 1.00 0.00 C ATOM 29 CG LEU A -2 53.487 20.977 1.746 1.00 0.00 C ATOM 30 CD1 LEU A -2 54.803 21.413 2.394 1.00 0.00 C ATOM 31 CD2 LEU A -2 52.435 22.068 1.941 1.00 0.00 C ATOM 0 H LEU A -2 55.871 19.212 -1.227 1.00 0.00 H new ATOM 0 HA LEU A -2 54.884 19.012 0.787 1.00 0.00 H new ATOM 0 HB2 LEU A -2 54.449 21.441 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A -2 52.783 20.924 -0.306 1.00 0.00 H new ATOM 0 HG LEU A -2 53.143 20.054 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A -2 54.646 21.581 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A -2 55.552 20.634 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A -2 55.149 22.336 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A -2 52.278 22.236 3.007 1.00 0.00 H new ATOM 0 HD22 LEU A -2 52.778 22.992 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A -2 51.497 21.756 1.481 1.00 0.00 H new ATOM 43 N GLY A -1 53.033 17.294 -0.726 1.00 0.00 N ATOM 44 CA GLY A -1 51.945 16.323 -0.766 1.00 0.00 C ATOM 45 C GLY A -1 52.073 15.317 0.370 1.00 0.00 C ATOM 46 O GLY A -1 51.170 14.515 0.608 1.00 0.00 O ATOM 0 H GLY A -1 53.814 17.083 -1.347 1.00 0.00 H new ATOM 0 HA2 GLY A -1 50.988 16.840 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A -1 51.953 15.801 -1.723 1.00 0.00 H new ATOM 50 N SER A 0 53.203 15.362 1.069 1.00 0.00 N ATOM 51 CA SER A 0 53.441 14.446 2.178 1.00 0.00 C ATOM 52 C SER A 0 52.416 14.666 3.286 1.00 0.00 C ATOM 53 O SER A 0 51.997 13.725 3.951 1.00 0.00 O ATOM 54 CB SER A 0 54.848 14.654 2.737 1.00 0.00 C ATOM 55 OG SER A 0 54.985 16.000 3.176 1.00 0.00 O ATOM 0 H SER A 0 53.963 16.018 0.889 1.00 0.00 H new ATOM 0 HA SER A 0 53.345 13.426 1.806 1.00 0.00 H new ATOM 0 HB2 SER A 0 55.027 13.969 3.566 1.00 0.00 H new ATOM 0 HB3 SER A 0 55.592 14.431 1.972 1.00 0.00 H new ATOM 0 HG SER A 0 55.886 16.136 3.537 1.00 0.00 H new ATOM 61 N ILE A 211 52.013 15.917 3.472 1.00 0.00 N ATOM 62 CA ILE A 211 51.036 16.249 4.498 1.00 0.00 C ATOM 63 C ILE A 211 49.686 15.615 4.182 1.00 0.00 C ATOM 64 O ILE A 211 48.983 15.144 5.077 1.00 0.00 O ATOM 65 CB ILE A 211 50.876 17.768 4.594 1.00 0.00 C ATOM 66 CG1 ILE A 211 50.054 18.120 5.841 1.00 0.00 C ATOM 67 CG2 ILE A 211 50.168 18.297 3.347 1.00 0.00 C ATOM 68 CD1 ILE A 211 50.847 17.773 7.109 1.00 0.00 C ATOM 0 H ILE A 211 52.346 16.713 2.929 1.00 0.00 H new ATOM 0 HA ILE A 211 51.393 15.858 5.451 1.00 0.00 H new ATOM 0 HB ILE A 211 51.862 18.228 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 211 49.807 19.182 5.836 1.00 0.00 H new ATOM 0 HG13 ILE A 211 49.111 17.573 5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 211 50.058 19.379 3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 211 50.757 18.053 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 211 49.183 17.837 3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 211 50.256 18.026 7.989 1.00 0.00 H new ATOM 0 HD12 ILE A 211 51.071 16.706 7.117 1.00 0.00 H new ATOM 0 HD13 ILE A 211 51.778 18.340 7.122 1.00 0.00 H new ATOM 80 N LYS A 212 49.328 15.619 2.907 1.00 0.00 N ATOM 81 CA LYS A 212 48.053 15.052 2.479 1.00 0.00 C ATOM 82 C LYS A 212 47.956 13.587 2.897 1.00 0.00 C ATOM 83 O LYS A 212 46.877 13.099 3.234 1.00 0.00 O ATOM 84 CB LYS A 212 47.914 15.158 0.958 1.00 0.00 C ATOM 85 CG LYS A 212 46.525 14.676 0.536 1.00 0.00 C ATOM 86 CD LYS A 212 46.364 14.842 -0.976 1.00 0.00 C ATOM 87 CE LYS A 212 44.970 14.373 -1.396 1.00 0.00 C ATOM 88 NZ LYS A 212 44.815 14.531 -2.869 1.00 0.00 N ATOM 0 H LYS A 212 49.896 16.005 2.153 1.00 0.00 H new ATOM 0 HA LYS A 212 47.249 15.613 2.956 1.00 0.00 H new ATOM 0 HB2 LYS A 212 48.064 16.190 0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 212 48.682 14.558 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 212 46.391 13.631 0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 212 45.757 15.245 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 212 46.507 15.886 -1.255 1.00 0.00 H new ATOM 0 HD3 LYS A 212 47.126 14.265 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 212 44.826 13.330 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 212 44.208 14.952 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 212 43.867 14.212 -3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 212 44.935 15.532 -3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 212 45.534 13.960 -3.357 1.00 0.00 H new ATOM 102 N GLU A 213 49.088 12.892 2.869 1.00 0.00 N ATOM 103 CA GLU A 213 49.115 11.483 3.243 1.00 0.00 C ATOM 104 C GLU A 213 48.611 11.296 4.671 1.00 0.00 C ATOM 105 O GLU A 213 47.851 10.370 4.954 1.00 0.00 O ATOM 106 CB GLU A 213 50.543 10.941 3.130 1.00 0.00 C ATOM 107 CG GLU A 213 51.003 11.011 1.673 1.00 0.00 C ATOM 108 CD GLU A 213 50.174 10.060 0.816 1.00 0.00 C ATOM 109 OE1 GLU A 213 49.579 9.157 1.379 1.00 0.00 O ATOM 110 OE2 GLU A 213 50.142 10.254 -0.388 1.00 0.00 O ATOM 0 H GLU A 213 49.991 13.277 2.594 1.00 0.00 H new ATOM 0 HA GLU A 213 48.461 10.934 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 213 51.215 11.522 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 213 50.581 9.911 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 213 50.902 12.030 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 213 52.059 10.749 1.604 1.00 0.00 H new ATOM 117 N LEU A 214 49.034 12.182 5.563 1.00 0.00 N ATOM 118 CA LEU A 214 48.613 12.107 6.958 1.00 0.00 C ATOM 119 C LEU A 214 47.101 12.275 7.068 1.00 0.00 C ATOM 120 O LEU A 214 46.446 11.584 7.850 1.00 0.00 O ATOM 121 CB LEU A 214 49.317 13.198 7.776 1.00 0.00 C ATOM 122 CG LEU A 214 50.731 12.738 8.133 1.00 0.00 C ATOM 123 CD1 LEU A 214 51.527 12.493 6.850 1.00 0.00 C ATOM 124 CD2 LEU A 214 51.422 13.819 8.964 1.00 0.00 C ATOM 0 H LEU A 214 49.663 12.956 5.349 1.00 0.00 H new ATOM 0 HA LEU A 214 48.887 11.128 7.352 1.00 0.00 H new ATOM 0 HB2 LEU A 214 49.359 14.125 7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 214 48.752 13.408 8.684 1.00 0.00 H new ATOM 0 HG LEU A 214 50.679 11.814 8.709 1.00 0.00 H new ATOM 0 HD11 LEU A 214 52.535 12.165 7.104 1.00 0.00 H new ATOM 0 HD12 LEU A 214 51.034 11.723 6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 214 51.580 13.416 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 214 52.430 13.493 9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 214 51.475 14.743 8.388 1.00 0.00 H new ATOM 0 HD23 LEU A 214 50.855 13.993 9.878 1.00 0.00 H new ATOM 136 N LYS A 215 46.554 13.201 6.289 1.00 0.00 N ATOM 137 CA LYS A 215 45.119 13.450 6.310 1.00 0.00 C ATOM 138 C LYS A 215 44.351 12.200 5.901 1.00 0.00 C ATOM 139 O LYS A 215 43.354 11.838 6.527 1.00 0.00 O ATOM 140 CB LYS A 215 44.773 14.594 5.356 1.00 0.00 C ATOM 141 CG LYS A 215 43.377 15.133 5.685 1.00 0.00 C ATOM 142 CD LYS A 215 43.079 16.347 4.801 1.00 0.00 C ATOM 143 CE LYS A 215 44.036 17.498 5.152 1.00 0.00 C ATOM 144 NZ LYS A 215 45.226 17.437 4.258 1.00 0.00 N ATOM 0 H LYS A 215 47.078 13.787 5.640 1.00 0.00 H new ATOM 0 HA LYS A 215 44.834 13.723 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 215 45.512 15.391 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 215 44.805 14.243 4.325 1.00 0.00 H new ATOM 0 HG2 LYS A 215 42.628 14.358 5.522 1.00 0.00 H new ATOM 0 HG3 LYS A 215 43.322 15.413 6.737 1.00 0.00 H new ATOM 0 HD2 LYS A 215 43.189 16.078 3.750 1.00 0.00 H new ATOM 0 HD3 LYS A 215 42.046 16.666 4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 215 43.529 18.456 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 215 44.346 17.424 6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 46.088 17.353 4.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 45.146 16.612 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 45.275 18.304 3.686 1.00 0.00 H new ATOM 158 N MET A 216 44.825 11.539 4.850 1.00 0.00 N ATOM 159 CA MET A 216 44.172 10.327 4.367 1.00 0.00 C ATOM 160 C MET A 216 44.222 9.234 5.432 1.00 0.00 C ATOM 161 O MET A 216 43.244 8.519 5.646 1.00 0.00 O ATOM 162 CB MET A 216 44.865 9.834 3.096 1.00 0.00 C ATOM 163 CG MET A 216 44.131 8.603 2.558 1.00 0.00 C ATOM 164 SD MET A 216 44.870 8.102 0.983 1.00 0.00 S ATOM 165 CE MET A 216 46.480 7.594 1.634 1.00 0.00 C ATOM 0 H MET A 216 45.651 11.818 4.321 1.00 0.00 H new ATOM 0 HA MET A 216 43.130 10.559 4.147 1.00 0.00 H new ATOM 0 HB2 MET A 216 44.873 10.623 2.344 1.00 0.00 H new ATOM 0 HB3 MET A 216 45.905 9.586 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 216 44.193 7.786 3.277 1.00 0.00 H new ATOM 0 HG3 MET A 216 43.073 8.828 2.421 1.00 0.00 H new ATOM 0 HE1 MET A 216 46.945 6.889 0.945 1.00 0.00 H new ATOM 0 HE2 MET A 216 47.120 8.469 1.745 1.00 0.00 H new ATOM 0 HE3 MET A 216 46.346 7.117 2.605 1.00 0.00 H new ATOM 175 N SER A 217 45.367 9.112 6.096 1.00 0.00 N ATOM 176 CA SER A 217 45.534 8.103 7.133 1.00 0.00 C ATOM 177 C SER A 217 44.508 8.304 8.245 1.00 0.00 C ATOM 178 O SER A 217 43.969 7.340 8.787 1.00 0.00 O ATOM 179 CB SER A 217 46.944 8.181 7.717 1.00 0.00 C ATOM 180 OG SER A 217 47.894 8.091 6.663 1.00 0.00 O ATOM 0 H SER A 217 46.188 9.696 5.935 1.00 0.00 H new ATOM 0 HA SER A 217 45.382 7.121 6.686 1.00 0.00 H new ATOM 0 HB2 SER A 217 47.074 9.117 8.260 1.00 0.00 H new ATOM 0 HB3 SER A 217 47.099 7.373 8.432 1.00 0.00 H new ATOM 0 HG SER A 217 47.942 8.949 6.191 1.00 0.00 H new ATOM 186 N LYS A 218 44.245 9.563 8.579 1.00 0.00 N ATOM 187 CA LYS A 218 43.283 9.878 9.627 1.00 0.00 C ATOM 188 C LYS A 218 41.898 9.356 9.260 1.00 0.00 C ATOM 189 O LYS A 218 41.212 8.756 10.087 1.00 0.00 O ATOM 190 CB LYS A 218 43.219 11.393 9.838 1.00 0.00 C ATOM 191 CG LYS A 218 42.300 11.706 11.021 1.00 0.00 C ATOM 192 CD LYS A 218 42.329 13.208 11.307 1.00 0.00 C ATOM 193 CE LYS A 218 41.437 13.517 12.510 1.00 0.00 C ATOM 194 NZ LYS A 218 40.016 13.236 12.157 1.00 0.00 N ATOM 0 H LYS A 218 44.681 10.375 8.143 1.00 0.00 H new ATOM 0 HA LYS A 218 43.608 9.395 10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 218 44.218 11.787 10.026 1.00 0.00 H new ATOM 0 HB3 LYS A 218 42.848 11.881 8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 218 41.282 11.387 10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 218 42.622 11.151 11.902 1.00 0.00 H new ATOM 0 HD2 LYS A 218 43.351 13.531 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 218 41.984 13.762 10.434 1.00 0.00 H new ATOM 0 HE2 LYS A 218 41.738 12.911 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 218 41.551 14.561 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 39.389 13.703 12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 39.817 13.599 11.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 39.849 12.210 12.179 1.00 0.00 H new ATOM 208 N ASP A 219 41.495 9.587 8.017 1.00 0.00 N ATOM 209 CA ASP A 219 40.191 9.135 7.551 1.00 0.00 C ATOM 210 C ASP A 219 40.136 7.610 7.504 1.00 0.00 C ATOM 211 O ASP A 219 39.076 7.012 7.680 1.00 0.00 O ATOM 212 CB ASP A 219 39.907 9.700 6.157 1.00 0.00 C ATOM 213 CG ASP A 219 39.663 11.203 6.245 1.00 0.00 C ATOM 214 OD1 ASP A 219 39.539 11.699 7.354 1.00 0.00 O ATOM 215 OD2 ASP A 219 39.607 11.837 5.204 1.00 0.00 O ATOM 0 H ASP A 219 42.049 10.082 7.317 1.00 0.00 H new ATOM 0 HA ASP A 219 39.435 9.494 8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 219 40.749 9.498 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 219 39.036 9.206 5.726 1.00 0.00 H new ATOM 220 N GLU A 220 41.285 6.990 7.251 1.00 0.00 N ATOM 221 CA GLU A 220 41.353 5.535 7.170 1.00 0.00 C ATOM 222 C GLU A 220 40.996 4.903 8.510 1.00 0.00 C ATOM 223 O GLU A 220 40.129 4.032 8.584 1.00 0.00 O ATOM 224 CB GLU A 220 42.761 5.102 6.757 1.00 0.00 C ATOM 225 CG GLU A 220 42.795 3.585 6.569 1.00 0.00 C ATOM 226 CD GLU A 220 44.170 3.151 6.071 1.00 0.00 C ATOM 227 OE1 GLU A 220 45.080 3.961 6.123 1.00 0.00 O ATOM 228 OE2 GLU A 220 44.290 2.016 5.641 1.00 0.00 O ATOM 0 H GLU A 220 42.174 7.467 7.100 1.00 0.00 H new ATOM 0 HA GLU A 220 40.634 5.198 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 220 43.049 5.600 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 220 43.482 5.401 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 220 42.567 3.088 7.512 1.00 0.00 H new ATOM 0 HG3 GLU A 220 42.029 3.282 5.856 1.00 0.00 H new ATOM 235 N ILE A 221 41.662 5.354 9.567 1.00 0.00 N ATOM 236 CA ILE A 221 41.401 4.830 10.902 1.00 0.00 C ATOM 237 C ILE A 221 39.998 5.207 11.363 1.00 0.00 C ATOM 238 O ILE A 221 39.391 4.511 12.178 1.00 0.00 O ATOM 239 CB ILE A 221 42.433 5.378 11.889 1.00 0.00 C ATOM 240 CG1 ILE A 221 42.446 6.908 11.813 1.00 0.00 C ATOM 241 CG2 ILE A 221 43.819 4.838 11.533 1.00 0.00 C ATOM 242 CD1 ILE A 221 43.327 7.467 12.930 1.00 0.00 C ATOM 0 H ILE A 221 42.381 6.076 9.526 1.00 0.00 H new ATOM 0 HA ILE A 221 41.476 3.743 10.866 1.00 0.00 H new ATOM 0 HB ILE A 221 42.172 5.065 12.900 1.00 0.00 H new ATOM 0 HG12 ILE A 221 42.822 7.231 10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 221 41.432 7.296 11.907 1.00 0.00 H new ATOM 0 HG21 ILE A 221 44.554 5.229 12.237 1.00 0.00 H new ATOM 0 HG22 ILE A 221 43.810 3.749 11.586 1.00 0.00 H new ATOM 0 HG23 ILE A 221 44.083 5.150 10.523 1.00 0.00 H new ATOM 0 HD11 ILE A 221 43.336 8.556 12.876 1.00 0.00 H new ATOM 0 HD12 ILE A 221 42.931 7.155 13.896 1.00 0.00 H new ATOM 0 HD13 ILE A 221 44.343 7.089 12.815 1.00 0.00 H new ATOM 254 N LYS A 222 39.488 6.317 10.837 1.00 0.00 N ATOM 255 CA LYS A 222 38.155 6.781 11.203 1.00 0.00 C ATOM 256 C LYS A 222 37.105 5.743 10.820 1.00 0.00 C ATOM 257 O LYS A 222 36.154 5.505 11.565 1.00 0.00 O ATOM 258 CB LYS A 222 37.852 8.104 10.501 1.00 0.00 C ATOM 259 CG LYS A 222 36.506 8.644 10.986 1.00 0.00 C ATOM 260 CD LYS A 222 36.286 10.053 10.427 1.00 0.00 C ATOM 261 CE LYS A 222 35.932 9.970 8.940 1.00 0.00 C ATOM 262 NZ LYS A 222 35.398 11.281 8.483 1.00 0.00 N ATOM 0 H LYS A 222 39.973 6.907 10.161 1.00 0.00 H new ATOM 0 HA LYS A 222 38.124 6.930 12.282 1.00 0.00 H new ATOM 0 HB2 LYS A 222 38.641 8.827 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 222 37.829 7.958 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 222 35.701 7.984 10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 222 36.483 8.666 12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 222 35.485 10.550 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 222 37.186 10.653 10.563 1.00 0.00 H new ATOM 0 HE2 LYS A 222 36.815 9.703 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 222 35.193 9.186 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 35.157 11.225 7.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 34.545 11.518 9.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 36.117 12.018 8.627 1.00 0.00 H new ATOM 276 N ARG A 223 37.283 5.132 9.655 1.00 0.00 N ATOM 277 CA ARG A 223 36.345 4.119 9.184 1.00 0.00 C ATOM 278 C ARG A 223 36.316 2.932 10.141 1.00 0.00 C ATOM 279 O ARG A 223 35.251 2.391 10.441 1.00 0.00 O ATOM 280 CB ARG A 223 36.746 3.646 7.785 1.00 0.00 C ATOM 281 CG ARG A 223 35.703 2.656 7.261 1.00 0.00 C ATOM 282 CD ARG A 223 36.090 2.205 5.854 1.00 0.00 C ATOM 283 NE ARG A 223 35.027 1.387 5.277 1.00 0.00 N ATOM 284 CZ ARG A 223 34.965 0.079 5.502 1.00 0.00 C ATOM 285 NH1 ARG A 223 35.865 -0.497 6.253 1.00 0.00 N ATOM 286 NH2 ARG A 223 34.005 -0.629 4.975 1.00 0.00 N ATOM 0 H ARG A 223 38.062 5.318 9.023 1.00 0.00 H new ATOM 0 HA ARG A 223 35.349 4.561 9.143 1.00 0.00 H new ATOM 0 HB2 ARG A 223 36.825 4.498 7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 223 37.728 3.173 7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 223 35.638 1.794 7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 223 34.718 3.123 7.247 1.00 0.00 H new ATOM 0 HD2 ARG A 223 36.273 3.075 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 223 37.019 1.636 5.889 1.00 0.00 H new ATOM 0 HE ARG A 223 34.319 1.828 4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 223 36.615 0.057 6.666 1.00 0.00 H new ATOM 0 HH12 ARG A 223 35.818 -1.501 6.426 1.00 0.00 H new ATOM 0 HH21 ARG A 223 33.301 -0.179 4.390 1.00 0.00 H new ATOM 0 HH22 ARG A 223 33.958 -1.633 5.148 1.00 0.00 H new ATOM 300 N GLU A 224 37.492 2.529 10.612 1.00 0.00 N ATOM 301 CA GLU A 224 37.589 1.400 11.531 1.00 0.00 C ATOM 302 C GLU A 224 36.883 1.722 12.843 1.00 0.00 C ATOM 303 O GLU A 224 36.239 0.858 13.442 1.00 0.00 O ATOM 304 CB GLU A 224 39.058 1.075 11.804 1.00 0.00 C ATOM 305 CG GLU A 224 39.152 -0.203 12.641 1.00 0.00 C ATOM 306 CD GLU A 224 40.613 -0.553 12.897 1.00 0.00 C ATOM 307 OE1 GLU A 224 41.200 0.049 13.780 1.00 0.00 O ATOM 308 OE2 GLU A 224 41.124 -1.417 12.204 1.00 0.00 O ATOM 0 H GLU A 224 38.384 2.963 10.375 1.00 0.00 H new ATOM 0 HA GLU A 224 37.107 0.536 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 224 39.594 0.946 10.863 1.00 0.00 H new ATOM 0 HB3 GLU A 224 39.533 1.903 12.331 1.00 0.00 H new ATOM 0 HG2 GLU A 224 38.631 -0.066 13.589 1.00 0.00 H new ATOM 0 HG3 GLU A 224 38.658 -1.025 12.122 1.00 0.00 H new ATOM 315 N TYR A 225 37.004 2.970 13.285 1.00 0.00 N ATOM 316 CA TYR A 225 36.369 3.394 14.529 1.00 0.00 C ATOM 317 C TYR A 225 34.852 3.262 14.426 1.00 0.00 C ATOM 318 O TYR A 225 34.201 2.750 15.336 1.00 0.00 O ATOM 319 CB TYR A 225 36.738 4.848 14.834 1.00 0.00 C ATOM 320 CG TYR A 225 36.004 5.304 16.073 1.00 0.00 C ATOM 321 CD1 TYR A 225 36.447 4.900 17.337 1.00 0.00 C ATOM 322 CD2 TYR A 225 34.882 6.134 15.956 1.00 0.00 C ATOM 323 CE1 TYR A 225 35.766 5.322 18.485 1.00 0.00 C ATOM 324 CE2 TYR A 225 34.202 6.555 17.103 1.00 0.00 C ATOM 325 CZ TYR A 225 34.644 6.152 18.368 1.00 0.00 C ATOM 326 OH TYR A 225 33.973 6.569 19.499 1.00 0.00 O ATOM 0 H TYR A 225 37.531 3.700 12.806 1.00 0.00 H new ATOM 0 HA TYR A 225 36.725 2.753 15.335 1.00 0.00 H new ATOM 0 HB2 TYR A 225 37.814 4.938 14.982 1.00 0.00 H new ATOM 0 HB3 TYR A 225 36.478 5.485 13.989 1.00 0.00 H new ATOM 0 HD1 TYR A 225 37.314 4.263 17.427 1.00 0.00 H new ATOM 0 HD2 TYR A 225 34.542 6.449 14.980 1.00 0.00 H new ATOM 0 HE1 TYR A 225 36.106 5.008 19.461 1.00 0.00 H new ATOM 0 HE2 TYR A 225 33.335 7.192 17.012 1.00 0.00 H new ATOM 0 HH TYR A 225 33.219 7.140 19.241 1.00 0.00 H new ATOM 336 N LYS A 226 34.299 3.729 13.316 1.00 0.00 N ATOM 337 CA LYS A 226 32.860 3.657 13.105 1.00 0.00 C ATOM 338 C LYS A 226 32.401 2.206 13.016 1.00 0.00 C ATOM 339 O LYS A 226 31.300 1.863 13.447 1.00 0.00 O ATOM 340 CB LYS A 226 32.480 4.398 11.818 1.00 0.00 C ATOM 341 CG LYS A 226 30.970 4.691 11.818 1.00 0.00 C ATOM 342 CD LYS A 226 30.705 6.024 12.524 1.00 0.00 C ATOM 343 CE LYS A 226 29.201 6.259 12.622 1.00 0.00 C ATOM 344 NZ LYS A 226 28.649 6.508 11.262 1.00 0.00 N ATOM 0 H LYS A 226 34.820 4.159 12.552 1.00 0.00 H new ATOM 0 HA LYS A 226 32.365 4.129 13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 226 33.041 5.329 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 226 32.744 3.796 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 226 30.597 4.730 10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 226 30.433 3.888 12.323 1.00 0.00 H new ATOM 0 HD2 LYS A 226 31.148 6.014 13.520 1.00 0.00 H new ATOM 0 HD3 LYS A 226 31.176 6.839 11.974 1.00 0.00 H new ATOM 0 HE2 LYS A 226 28.715 5.393 13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 226 28.997 7.111 13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 27.688 6.898 11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 29.257 7.186 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 28.616 5.614 10.732 1.00 0.00 H new ATOM 358 N GLU A 227 33.251 1.358 12.446 1.00 0.00 N ATOM 359 CA GLU A 227 32.922 -0.054 12.301 1.00 0.00 C ATOM 360 C GLU A 227 32.638 -0.675 13.666 1.00 0.00 C ATOM 361 O GLU A 227 31.804 -1.571 13.789 1.00 0.00 O ATOM 362 CB GLU A 227 34.083 -0.794 11.633 1.00 0.00 C ATOM 363 CG GLU A 227 33.656 -2.225 11.297 1.00 0.00 C ATOM 364 CD GLU A 227 32.639 -2.210 10.161 1.00 0.00 C ATOM 365 OE1 GLU A 227 32.422 -1.148 9.599 1.00 0.00 O ATOM 366 OE2 GLU A 227 32.093 -3.260 9.866 1.00 0.00 O ATOM 0 H GLU A 227 34.166 1.622 12.080 1.00 0.00 H new ATOM 0 HA GLU A 227 32.031 -0.142 11.679 1.00 0.00 H new ATOM 0 HB2 GLU A 227 34.386 -0.272 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 227 34.948 -0.808 12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 227 34.526 -2.815 11.010 1.00 0.00 H new ATOM 0 HG3 GLU A 227 33.224 -2.701 12.177 1.00 0.00 H new ATOM 373 N MET A 228 33.340 -0.196 14.688 1.00 0.00 N ATOM 374 CA MET A 228 33.155 -0.716 16.038 1.00 0.00 C ATOM 375 C MET A 228 31.734 -0.454 16.524 1.00 0.00 C ATOM 376 O MET A 228 31.112 -1.314 17.147 1.00 0.00 O ATOM 377 CB MET A 228 34.151 -0.055 16.993 1.00 0.00 C ATOM 378 CG MET A 228 35.573 -0.483 16.627 1.00 0.00 C ATOM 379 SD MET A 228 36.746 0.278 17.774 1.00 0.00 S ATOM 380 CE MET A 228 38.259 -0.215 16.914 1.00 0.00 C ATOM 0 H MET A 228 34.036 0.545 14.609 1.00 0.00 H new ATOM 0 HA MET A 228 33.328 -1.792 16.019 1.00 0.00 H new ATOM 0 HB2 MET A 228 34.061 1.030 16.935 1.00 0.00 H new ATOM 0 HB3 MET A 228 33.928 -0.339 18.021 1.00 0.00 H new ATOM 0 HG2 MET A 228 35.659 -1.569 16.669 1.00 0.00 H new ATOM 0 HG3 MET A 228 35.802 -0.184 15.604 1.00 0.00 H new ATOM 0 HE1 MET A 228 39.126 0.157 17.460 1.00 0.00 H new ATOM 0 HE2 MET A 228 38.307 -1.302 16.856 1.00 0.00 H new ATOM 0 HE3 MET A 228 38.258 0.203 15.907 1.00 0.00 H new ATOM 390 N GLU A 229 31.224 0.737 16.230 1.00 0.00 N ATOM 391 CA GLU A 229 29.873 1.104 16.639 1.00 0.00 C ATOM 392 C GLU A 229 28.837 0.358 15.805 1.00 0.00 C ATOM 393 O GLU A 229 27.638 0.600 15.929 1.00 0.00 O ATOM 394 CB GLU A 229 29.669 2.611 16.490 1.00 0.00 C ATOM 395 CG GLU A 229 30.532 3.348 17.515 1.00 0.00 C ATOM 396 CD GLU A 229 30.379 4.854 17.340 1.00 0.00 C ATOM 397 OE1 GLU A 229 29.668 5.255 16.433 1.00 0.00 O ATOM 398 OE2 GLU A 229 30.968 5.585 18.118 1.00 0.00 O ATOM 0 H GLU A 229 31.722 1.461 15.713 1.00 0.00 H new ATOM 0 HA GLU A 229 29.745 0.826 17.685 1.00 0.00 H new ATOM 0 HB2 GLU A 229 29.935 2.926 15.481 1.00 0.00 H new ATOM 0 HB3 GLU A 229 28.618 2.862 16.636 1.00 0.00 H new ATOM 0 HG2 GLU A 229 30.238 3.059 18.524 1.00 0.00 H new ATOM 0 HG3 GLU A 229 31.577 3.064 17.394 1.00 0.00 H new ATOM 405 N GLY A 230 29.311 -0.543 14.950 1.00 0.00 N ATOM 406 CA GLY A 230 28.417 -1.318 14.096 1.00 0.00 C ATOM 407 C GLY A 230 27.401 -2.088 14.929 1.00 0.00 C ATOM 408 O GLY A 230 26.614 -1.502 15.671 1.00 0.00 O ATOM 0 H GLY A 230 30.302 -0.754 14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 230 27.898 -0.652 13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 230 28.998 -2.013 13.490 1.00 0.00 H new ATOM 412 N SER A 231 27.427 -3.410 14.813 1.00 0.00 N ATOM 413 CA SER A 231 26.512 -4.258 15.572 1.00 0.00 C ATOM 414 C SER A 231 27.083 -4.558 16.958 1.00 0.00 C ATOM 415 O SER A 231 26.368 -4.523 17.957 1.00 0.00 O ATOM 416 CB SER A 231 26.267 -5.572 14.813 1.00 0.00 C ATOM 417 OG SER A 231 24.870 -5.761 14.655 1.00 0.00 O ATOM 0 H SER A 231 28.068 -3.918 14.204 1.00 0.00 H new ATOM 0 HA SER A 231 25.567 -3.729 15.692 1.00 0.00 H new ATOM 0 HB2 SER A 231 26.755 -5.541 13.839 1.00 0.00 H new ATOM 0 HB3 SER A 231 26.701 -6.409 15.360 1.00 0.00 H new ATOM 0 HG SER A 231 24.706 -6.597 14.170 1.00 0.00 H new ATOM 423 N PRO A 232 28.351 -4.871 17.022 1.00 0.00 N ATOM 424 CA PRO A 232 29.033 -5.206 18.306 1.00 0.00 C ATOM 425 C PRO A 232 28.904 -4.080 19.327 1.00 0.00 C ATOM 426 O PRO A 232 29.549 -3.038 19.199 1.00 0.00 O ATOM 427 CB PRO A 232 30.502 -5.415 17.896 1.00 0.00 C ATOM 428 CG PRO A 232 30.462 -5.719 16.434 1.00 0.00 C ATOM 429 CD PRO A 232 29.276 -4.944 15.879 1.00 0.00 C ATOM 0 HA PRO A 232 28.597 -6.080 18.790 1.00 0.00 H new ATOM 0 HB2 PRO A 232 31.097 -4.524 18.097 1.00 0.00 H new ATOM 0 HB3 PRO A 232 30.954 -6.233 18.456 1.00 0.00 H new ATOM 0 HG2 PRO A 232 31.389 -5.416 15.947 1.00 0.00 H new ATOM 0 HG3 PRO A 232 30.345 -6.789 16.261 1.00 0.00 H new ATOM 0 HD2 PRO A 232 29.569 -3.952 15.536 1.00 0.00 H new ATOM 0 HD3 PRO A 232 28.824 -5.455 15.029 1.00 0.00 H new ATOM 437 N GLU A 233 28.079 -4.300 20.342 1.00 0.00 N ATOM 438 CA GLU A 233 27.880 -3.297 21.383 1.00 0.00 C ATOM 439 C GLU A 233 28.960 -3.412 22.452 1.00 0.00 C ATOM 440 O GLU A 233 29.142 -2.507 23.261 1.00 0.00 O ATOM 441 CB GLU A 233 26.502 -3.482 22.023 1.00 0.00 C ATOM 442 CG GLU A 233 25.413 -3.217 20.981 1.00 0.00 C ATOM 443 CD GLU A 233 25.438 -1.752 20.557 1.00 0.00 C ATOM 444 OE1 GLU A 233 25.973 -0.950 21.306 1.00 0.00 O ATOM 445 OE2 GLU A 233 24.930 -1.454 19.490 1.00 0.00 O ATOM 0 H GLU A 233 27.540 -5.157 20.468 1.00 0.00 H new ATOM 0 HA GLU A 233 27.942 -2.308 20.928 1.00 0.00 H new ATOM 0 HB2 GLU A 233 26.405 -4.494 22.416 1.00 0.00 H new ATOM 0 HB3 GLU A 233 26.387 -2.801 22.866 1.00 0.00 H new ATOM 0 HG2 GLU A 233 25.566 -3.858 20.113 1.00 0.00 H new ATOM 0 HG3 GLU A 233 24.436 -3.468 21.393 1.00 0.00 H new ATOM 452 N ILE A 234 29.670 -4.530 22.451 1.00 0.00 N ATOM 453 CA ILE A 234 30.729 -4.751 23.427 1.00 0.00 C ATOM 454 C ILE A 234 31.860 -3.745 23.233 1.00 0.00 C ATOM 455 O ILE A 234 32.397 -3.204 24.199 1.00 0.00 O ATOM 456 CB ILE A 234 31.276 -6.175 23.294 1.00 0.00 C ATOM 457 CG1 ILE A 234 30.201 -7.177 23.726 1.00 0.00 C ATOM 458 CG2 ILE A 234 32.511 -6.338 24.188 1.00 0.00 C ATOM 459 CD1 ILE A 234 30.631 -8.591 23.328 1.00 0.00 C ATOM 0 H ILE A 234 29.534 -5.295 21.790 1.00 0.00 H new ATOM 0 HA ILE A 234 30.310 -4.617 24.424 1.00 0.00 H new ATOM 0 HB ILE A 234 31.553 -6.360 22.256 1.00 0.00 H new ATOM 0 HG12 ILE A 234 30.049 -7.122 24.804 1.00 0.00 H new ATOM 0 HG13 ILE A 234 29.249 -6.930 23.257 1.00 0.00 H new ATOM 0 HG21 ILE A 234 32.899 -7.352 24.092 1.00 0.00 H new ATOM 0 HG22 ILE A 234 33.278 -5.626 23.883 1.00 0.00 H new ATOM 0 HG23 ILE A 234 32.236 -6.152 25.226 1.00 0.00 H new ATOM 0 HD11 ILE A 234 29.866 -9.304 23.635 1.00 0.00 H new ATOM 0 HD12 ILE A 234 30.760 -8.641 22.247 1.00 0.00 H new ATOM 0 HD13 ILE A 234 31.573 -8.836 23.818 1.00 0.00 H new ATOM 471 N LYS A 235 32.230 -3.517 21.978 1.00 0.00 N ATOM 472 CA LYS A 235 33.315 -2.592 21.670 1.00 0.00 C ATOM 473 C LYS A 235 32.916 -1.164 22.020 1.00 0.00 C ATOM 474 O LYS A 235 33.752 -0.260 22.025 1.00 0.00 O ATOM 475 CB LYS A 235 33.660 -2.677 20.180 1.00 0.00 C ATOM 476 CG LYS A 235 34.227 -4.062 19.862 1.00 0.00 C ATOM 477 CD LYS A 235 34.538 -4.158 18.367 1.00 0.00 C ATOM 478 CE LYS A 235 35.074 -5.554 18.045 1.00 0.00 C ATOM 479 NZ LYS A 235 35.341 -5.657 16.582 1.00 0.00 N ATOM 0 H LYS A 235 31.799 -3.955 21.164 1.00 0.00 H new ATOM 0 HA LYS A 235 34.186 -2.869 22.264 1.00 0.00 H new ATOM 0 HB2 LYS A 235 32.770 -2.491 19.579 1.00 0.00 H new ATOM 0 HB3 LYS A 235 34.387 -1.907 19.920 1.00 0.00 H new ATOM 0 HG2 LYS A 235 35.132 -4.238 20.444 1.00 0.00 H new ATOM 0 HG3 LYS A 235 33.511 -4.833 20.145 1.00 0.00 H new ATOM 0 HD2 LYS A 235 33.639 -3.959 17.784 1.00 0.00 H new ATOM 0 HD3 LYS A 235 35.272 -3.402 18.088 1.00 0.00 H new ATOM 0 HE2 LYS A 235 35.989 -5.743 18.607 1.00 0.00 H new ATOM 0 HE3 LYS A 235 34.352 -6.312 18.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 35.706 -6.606 16.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 34.459 -5.494 16.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 36.045 -4.943 16.307 1.00 0.00 H new ATOM 493 N SER A 236 31.635 -0.967 22.309 1.00 0.00 N ATOM 494 CA SER A 236 31.133 0.358 22.653 1.00 0.00 C ATOM 495 C SER A 236 31.779 0.856 23.944 1.00 0.00 C ATOM 496 O SER A 236 32.057 2.046 24.090 1.00 0.00 O ATOM 497 CB SER A 236 29.616 0.315 22.825 1.00 0.00 C ATOM 498 OG SER A 236 29.033 -0.303 21.683 1.00 0.00 O ATOM 0 H SER A 236 30.929 -1.703 22.312 1.00 0.00 H new ATOM 0 HA SER A 236 31.386 1.043 21.844 1.00 0.00 H new ATOM 0 HB2 SER A 236 29.356 -0.240 23.726 1.00 0.00 H new ATOM 0 HB3 SER A 236 29.223 1.324 22.948 1.00 0.00 H new ATOM 0 HG SER A 236 28.059 -0.334 21.789 1.00 0.00 H new ATOM 504 N LYS A 237 32.008 -0.063 24.876 1.00 0.00 N ATOM 505 CA LYS A 237 32.620 0.295 26.152 1.00 0.00 C ATOM 506 C LYS A 237 34.086 0.669 25.958 1.00 0.00 C ATOM 507 O LYS A 237 34.697 1.293 26.827 1.00 0.00 O ATOM 508 CB LYS A 237 32.515 -0.880 27.127 1.00 0.00 C ATOM 509 CG LYS A 237 31.049 -1.108 27.497 1.00 0.00 C ATOM 510 CD LYS A 237 30.940 -2.315 28.431 1.00 0.00 C ATOM 511 CE LYS A 237 29.471 -2.550 28.792 1.00 0.00 C ATOM 512 NZ LYS A 237 29.361 -3.753 29.663 1.00 0.00 N ATOM 0 H LYS A 237 31.782 -1.052 24.775 1.00 0.00 H new ATOM 0 HA LYS A 237 32.090 1.155 26.560 1.00 0.00 H new ATOM 0 HB2 LYS A 237 32.931 -1.780 26.674 1.00 0.00 H new ATOM 0 HB3 LYS A 237 33.100 -0.675 28.024 1.00 0.00 H new ATOM 0 HG2 LYS A 237 30.643 -0.221 27.983 1.00 0.00 H new ATOM 0 HG3 LYS A 237 30.458 -1.277 26.597 1.00 0.00 H new ATOM 0 HD2 LYS A 237 31.353 -3.201 27.948 1.00 0.00 H new ATOM 0 HD3 LYS A 237 31.525 -2.143 29.335 1.00 0.00 H new ATOM 0 HE2 LYS A 237 29.067 -1.678 29.306 1.00 0.00 H new ATOM 0 HE3 LYS A 237 28.880 -2.688 27.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 28.363 -3.914 29.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 29.731 -4.583 29.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 29.912 -3.604 30.532 1.00 0.00 H new ATOM 526 N ARG A 238 34.645 0.285 24.816 1.00 0.00 N ATOM 527 CA ARG A 238 36.040 0.586 24.518 1.00 0.00 C ATOM 528 C ARG A 238 36.245 2.089 24.364 1.00 0.00 C ATOM 529 O ARG A 238 37.360 2.592 24.508 1.00 0.00 O ATOM 530 CB ARG A 238 36.467 -0.126 23.234 1.00 0.00 C ATOM 531 CG ARG A 238 37.988 -0.063 23.097 1.00 0.00 C ATOM 532 CD ARG A 238 38.416 -0.775 21.812 1.00 0.00 C ATOM 533 NE ARG A 238 38.151 -2.206 21.917 1.00 0.00 N ATOM 534 CZ ARG A 238 38.454 -3.034 20.924 1.00 0.00 C ATOM 535 NH1 ARG A 238 39.001 -2.574 19.832 1.00 0.00 N ATOM 536 NH2 ARG A 238 38.208 -4.311 21.041 1.00 0.00 N ATOM 0 H ARG A 238 34.157 -0.232 24.085 1.00 0.00 H new ATOM 0 HA ARG A 238 36.652 0.233 25.348 1.00 0.00 H new ATOM 0 HB2 ARG A 238 36.136 -1.164 23.254 1.00 0.00 H new ATOM 0 HB3 ARG A 238 35.994 0.343 22.371 1.00 0.00 H new ATOM 0 HG2 ARG A 238 38.319 0.975 23.077 1.00 0.00 H new ATOM 0 HG3 ARG A 238 38.461 -0.532 23.960 1.00 0.00 H new ATOM 0 HD2 ARG A 238 37.877 -0.359 20.961 1.00 0.00 H new ATOM 0 HD3 ARG A 238 39.478 -0.607 21.630 1.00 0.00 H new ATOM 0 HE ARG A 238 37.726 -2.576 22.767 1.00 0.00 H new ATOM 0 HH11 ARG A 238 39.196 -1.577 19.740 1.00 0.00 H new ATOM 0 HH12 ARG A 238 39.233 -3.211 19.070 1.00 0.00 H new ATOM 0 HH21 ARG A 238 37.783 -4.672 21.895 1.00 0.00 H new ATOM 0 HH22 ARG A 238 38.441 -4.947 20.278 1.00 0.00 H new ATOM 550 N ARG A 239 35.164 2.802 24.074 1.00 0.00 N ATOM 551 CA ARG A 239 35.240 4.250 23.905 1.00 0.00 C ATOM 552 C ARG A 239 35.683 4.913 25.201 1.00 0.00 C ATOM 553 O ARG A 239 36.448 5.878 25.182 1.00 0.00 O ATOM 554 CB ARG A 239 33.865 4.799 23.483 1.00 0.00 C ATOM 555 CG ARG A 239 33.769 4.826 21.955 1.00 0.00 C ATOM 556 CD ARG A 239 33.935 3.403 21.402 1.00 0.00 C ATOM 557 NE ARG A 239 35.343 3.128 21.137 1.00 0.00 N ATOM 558 CZ ARG A 239 35.713 2.056 20.447 1.00 0.00 C ATOM 559 NH1 ARG A 239 34.810 1.230 19.991 1.00 0.00 N ATOM 560 NH2 ARG A 239 36.978 1.827 20.224 1.00 0.00 N ATOM 0 H ARG A 239 34.232 2.407 23.952 1.00 0.00 H new ATOM 0 HA ARG A 239 35.972 4.473 23.129 1.00 0.00 H new ATOM 0 HB2 ARG A 239 33.071 4.177 23.896 1.00 0.00 H new ATOM 0 HB3 ARG A 239 33.724 5.803 23.884 1.00 0.00 H new ATOM 0 HG2 ARG A 239 32.807 5.236 21.648 1.00 0.00 H new ATOM 0 HG3 ARG A 239 34.539 5.479 21.544 1.00 0.00 H new ATOM 0 HD2 ARG A 239 33.544 2.679 22.117 1.00 0.00 H new ATOM 0 HD3 ARG A 239 33.356 3.291 20.485 1.00 0.00 H new ATOM 0 HE ARG A 239 36.054 3.770 21.487 1.00 0.00 H new ATOM 0 HH11 ARG A 239 33.821 1.409 20.165 1.00 0.00 H new ATOM 0 HH12 ARG A 239 35.094 0.406 19.461 1.00 0.00 H new ATOM 0 HH21 ARG A 239 37.684 2.472 20.580 1.00 0.00 H new ATOM 0 HH22 ARG A 239 37.261 1.003 19.694 1.00 0.00 H new ATOM 574 N GLN A 240 35.190 4.402 26.322 1.00 0.00 N ATOM 575 CA GLN A 240 35.538 4.964 27.623 1.00 0.00 C ATOM 576 C GLN A 240 37.028 5.281 27.688 1.00 0.00 C ATOM 577 O GLN A 240 37.418 6.418 27.950 1.00 0.00 O ATOM 578 CB GLN A 240 35.183 3.969 28.729 1.00 0.00 C ATOM 579 CG GLN A 240 33.662 3.820 28.815 1.00 0.00 C ATOM 580 CD GLN A 240 33.300 2.768 29.857 1.00 0.00 C ATOM 581 OE1 GLN A 240 33.683 1.605 29.727 1.00 0.00 O ATOM 582 NE2 GLN A 240 32.576 3.106 30.890 1.00 0.00 N ATOM 0 H GLN A 240 34.553 3.606 26.358 1.00 0.00 H new ATOM 0 HA GLN A 240 34.974 5.886 27.763 1.00 0.00 H new ATOM 0 HB2 GLN A 240 35.642 3.002 28.524 1.00 0.00 H new ATOM 0 HB3 GLN A 240 35.580 4.314 29.684 1.00 0.00 H new ATOM 0 HG2 GLN A 240 33.209 4.776 29.078 1.00 0.00 H new ATOM 0 HG3 GLN A 240 33.261 3.534 27.843 1.00 0.00 H new ATOM 0 HE21 GLN A 240 32.259 4.070 30.997 1.00 0.00 H new ATOM 0 HE22 GLN A 240 32.328 2.406 31.590 1.00 0.00 H new ATOM 591 N PHE A 241 37.855 4.271 27.443 1.00 0.00 N ATOM 592 CA PHE A 241 39.301 4.453 27.479 1.00 0.00 C ATOM 593 C PHE A 241 39.754 5.395 26.368 1.00 0.00 C ATOM 594 O PHE A 241 40.649 6.218 26.566 1.00 0.00 O ATOM 595 CB PHE A 241 40.003 3.103 27.324 1.00 0.00 C ATOM 596 CG PHE A 241 39.764 2.267 28.559 1.00 0.00 C ATOM 597 CD1 PHE A 241 40.583 2.427 29.683 1.00 0.00 C ATOM 598 CD2 PHE A 241 38.723 1.330 28.579 1.00 0.00 C ATOM 599 CE1 PHE A 241 40.361 1.652 30.827 1.00 0.00 C ATOM 600 CE2 PHE A 241 38.501 0.555 29.724 1.00 0.00 C ATOM 601 CZ PHE A 241 39.320 0.715 30.847 1.00 0.00 C ATOM 0 H PHE A 241 37.551 3.323 27.219 1.00 0.00 H new ATOM 0 HA PHE A 241 39.567 4.892 28.441 1.00 0.00 H new ATOM 0 HB2 PHE A 241 39.627 2.584 26.442 1.00 0.00 H new ATOM 0 HB3 PHE A 241 41.072 3.252 27.174 1.00 0.00 H new ATOM 0 HD1 PHE A 241 41.386 3.149 29.667 1.00 0.00 H new ATOM 0 HD2 PHE A 241 38.092 1.205 27.712 1.00 0.00 H new ATOM 0 HE1 PHE A 241 40.992 1.776 31.694 1.00 0.00 H new ATOM 0 HE2 PHE A 241 37.697 -0.166 29.740 1.00 0.00 H new ATOM 0 HZ PHE A 241 39.150 0.116 31.729 1.00 0.00 H new ATOM 611 N HIS A 242 39.135 5.267 25.202 1.00 0.00 N ATOM 612 CA HIS A 242 39.486 6.107 24.065 1.00 0.00 C ATOM 613 C HIS A 242 39.498 7.578 24.469 1.00 0.00 C ATOM 614 O HIS A 242 40.063 8.420 23.769 1.00 0.00 O ATOM 615 CB HIS A 242 38.480 5.898 22.929 1.00 0.00 C ATOM 616 CG HIS A 242 39.047 6.442 21.646 1.00 0.00 C ATOM 617 ND1 HIS A 242 38.792 7.732 21.210 1.00 0.00 N ATOM 618 CD2 HIS A 242 39.865 5.880 20.696 1.00 0.00 C ATOM 619 CE1 HIS A 242 39.443 7.903 20.046 1.00 0.00 C ATOM 620 NE2 HIS A 242 40.114 6.806 19.687 1.00 0.00 N ATOM 0 H HIS A 242 38.391 4.593 25.019 1.00 0.00 H new ATOM 0 HA HIS A 242 40.483 5.826 23.725 1.00 0.00 H new ATOM 0 HB2 HIS A 242 38.256 4.837 22.818 1.00 0.00 H new ATOM 0 HB3 HIS A 242 37.541 6.399 23.165 1.00 0.00 H new ATOM 0 HD2 HIS A 242 40.255 4.873 20.727 1.00 0.00 H new ATOM 0 HE1 HIS A 242 39.425 8.817 19.471 1.00 0.00 H new ATOM 0 HE2 HIS A 242 40.686 6.675 18.853 1.00 0.00 H new ATOM 628 N GLN A 243 38.872 7.882 25.598 1.00 0.00 N ATOM 629 CA GLN A 243 38.817 9.257 26.083 1.00 0.00 C ATOM 630 C GLN A 243 40.215 9.755 26.436 1.00 0.00 C ATOM 631 O GLN A 243 40.506 10.946 26.331 1.00 0.00 O ATOM 632 CB GLN A 243 37.911 9.334 27.318 1.00 0.00 C ATOM 633 CG GLN A 243 38.625 8.705 28.527 1.00 0.00 C ATOM 634 CD GLN A 243 39.513 9.743 29.209 1.00 0.00 C ATOM 635 OE1 GLN A 243 39.132 10.908 29.321 1.00 0.00 O ATOM 636 NE2 GLN A 243 40.682 9.391 29.663 1.00 0.00 N ATOM 0 H GLN A 243 38.398 7.202 26.192 1.00 0.00 H new ATOM 0 HA GLN A 243 38.410 9.890 25.295 1.00 0.00 H new ATOM 0 HB2 GLN A 243 37.660 10.373 27.532 1.00 0.00 H new ATOM 0 HB3 GLN A 243 36.973 8.813 27.126 1.00 0.00 H new ATOM 0 HG2 GLN A 243 37.890 8.322 29.235 1.00 0.00 H new ATOM 0 HG3 GLN A 243 39.227 7.856 28.203 1.00 0.00 H new ATOM 0 HE21 GLN A 243 40.996 8.425 29.569 1.00 0.00 H new ATOM 0 HE22 GLN A 243 41.284 10.081 30.112 1.00 0.00 H new ATOM 645 N GLU A 244 41.072 8.838 26.876 1.00 0.00 N ATOM 646 CA GLU A 244 42.429 9.200 27.257 1.00 0.00 C ATOM 647 C GLU A 244 43.211 9.686 26.042 1.00 0.00 C ATOM 648 O GLU A 244 43.965 10.653 26.126 1.00 0.00 O ATOM 649 CB GLU A 244 43.141 7.991 27.874 1.00 0.00 C ATOM 650 CG GLU A 244 44.448 8.439 28.533 1.00 0.00 C ATOM 651 CD GLU A 244 45.496 8.734 27.465 1.00 0.00 C ATOM 652 OE1 GLU A 244 45.456 8.092 26.429 1.00 0.00 O ATOM 653 OE2 GLU A 244 46.321 9.602 27.697 1.00 0.00 O ATOM 0 H GLU A 244 40.851 7.847 26.976 1.00 0.00 H new ATOM 0 HA GLU A 244 42.379 10.004 27.991 1.00 0.00 H new ATOM 0 HB2 GLU A 244 42.495 7.515 28.612 1.00 0.00 H new ATOM 0 HB3 GLU A 244 43.347 7.247 27.104 1.00 0.00 H new ATOM 0 HG2 GLU A 244 44.273 9.328 29.138 1.00 0.00 H new ATOM 0 HG3 GLU A 244 44.811 7.662 29.206 1.00 0.00 H new ATOM 660 N ILE A 245 43.030 9.008 24.916 1.00 0.00 N ATOM 661 CA ILE A 245 43.725 9.381 23.692 1.00 0.00 C ATOM 662 C ILE A 245 43.278 10.764 23.222 1.00 0.00 C ATOM 663 O ILE A 245 44.096 11.588 22.813 1.00 0.00 O ATOM 664 CB ILE A 245 43.445 8.350 22.596 1.00 0.00 C ATOM 665 CG1 ILE A 245 44.083 7.012 22.984 1.00 0.00 C ATOM 666 CG2 ILE A 245 44.045 8.832 21.272 1.00 0.00 C ATOM 667 CD1 ILE A 245 43.574 5.915 22.047 1.00 0.00 C ATOM 0 H ILE A 245 42.412 8.202 24.825 1.00 0.00 H new ATOM 0 HA ILE A 245 44.795 9.408 23.898 1.00 0.00 H new ATOM 0 HB ILE A 245 42.368 8.225 22.482 1.00 0.00 H new ATOM 0 HG12 ILE A 245 45.169 7.083 22.922 1.00 0.00 H new ATOM 0 HG13 ILE A 245 43.838 6.766 24.017 1.00 0.00 H new ATOM 0 HG21 ILE A 245 43.845 8.097 20.493 1.00 0.00 H new ATOM 0 HG22 ILE A 245 43.596 9.786 20.995 1.00 0.00 H new ATOM 0 HG23 ILE A 245 45.122 8.957 21.385 1.00 0.00 H new ATOM 0 HD11 ILE A 245 44.027 4.963 22.322 1.00 0.00 H new ATOM 0 HD12 ILE A 245 42.490 5.839 22.131 1.00 0.00 H new ATOM 0 HD13 ILE A 245 43.842 6.161 21.019 1.00 0.00 H new ATOM 679 N GLN A 246 41.973 11.006 23.275 1.00 0.00 N ATOM 680 CA GLN A 246 41.425 12.288 22.849 1.00 0.00 C ATOM 681 C GLN A 246 41.934 13.413 23.743 1.00 0.00 C ATOM 682 O GLN A 246 41.830 14.589 23.396 1.00 0.00 O ATOM 683 CB GLN A 246 39.895 12.245 22.897 1.00 0.00 C ATOM 684 CG GLN A 246 39.374 11.303 21.809 1.00 0.00 C ATOM 685 CD GLN A 246 39.649 11.894 20.430 1.00 0.00 C ATOM 686 OE1 GLN A 246 39.234 13.015 20.140 1.00 0.00 O ATOM 687 NE2 GLN A 246 40.338 11.206 19.559 1.00 0.00 N ATOM 0 H GLN A 246 41.279 10.336 23.606 1.00 0.00 H new ATOM 0 HA GLN A 246 41.750 12.478 21.826 1.00 0.00 H new ATOM 0 HB2 GLN A 246 39.561 11.905 23.877 1.00 0.00 H new ATOM 0 HB3 GLN A 246 39.488 13.246 22.751 1.00 0.00 H new ATOM 0 HG2 GLN A 246 39.855 10.329 21.899 1.00 0.00 H new ATOM 0 HG3 GLN A 246 38.304 11.142 21.938 1.00 0.00 H new ATOM 0 HE21 GLN A 246 40.682 10.276 19.800 1.00 0.00 H new ATOM 0 HE22 GLN A 246 40.532 11.598 18.638 1.00 0.00 H new ATOM 696 N SER A 247 42.478 13.043 24.897 1.00 0.00 N ATOM 697 CA SER A 247 42.992 14.031 25.838 1.00 0.00 C ATOM 698 C SER A 247 44.164 14.786 25.228 1.00 0.00 C ATOM 699 O SER A 247 44.495 15.891 25.661 1.00 0.00 O ATOM 700 CB SER A 247 43.448 13.343 27.123 1.00 0.00 C ATOM 701 OG SER A 247 44.712 12.727 26.907 1.00 0.00 O ATOM 0 H SER A 247 42.574 12.074 25.202 1.00 0.00 H new ATOM 0 HA SER A 247 42.193 14.736 26.067 1.00 0.00 H new ATOM 0 HB2 SER A 247 43.519 14.070 27.932 1.00 0.00 H new ATOM 0 HB3 SER A 247 42.715 12.596 27.429 1.00 0.00 H new ATOM 0 HG SER A 247 44.613 11.994 26.264 1.00 0.00 H new ATOM 707 N ARG A 248 44.794 14.187 24.221 1.00 0.00 N ATOM 708 CA ARG A 248 45.937 14.813 23.552 1.00 0.00 C ATOM 709 C ARG A 248 45.591 15.160 22.109 1.00 0.00 C ATOM 710 O ARG A 248 46.477 15.334 21.275 1.00 0.00 O ATOM 711 CB ARG A 248 47.138 13.868 23.583 1.00 0.00 C ATOM 712 CG ARG A 248 47.614 13.692 25.026 1.00 0.00 C ATOM 713 CD ARG A 248 48.763 12.684 25.066 1.00 0.00 C ATOM 714 NE ARG A 248 48.276 11.353 24.719 1.00 0.00 N ATOM 715 CZ ARG A 248 49.099 10.310 24.669 1.00 0.00 C ATOM 716 NH1 ARG A 248 50.367 10.468 24.936 1.00 0.00 N ATOM 717 NH2 ARG A 248 48.639 9.130 24.356 1.00 0.00 N ATOM 0 H ARG A 248 44.536 13.273 23.850 1.00 0.00 H new ATOM 0 HA ARG A 248 46.186 15.733 24.081 1.00 0.00 H new ATOM 0 HB2 ARG A 248 46.865 12.902 23.159 1.00 0.00 H new ATOM 0 HB3 ARG A 248 47.945 14.269 22.969 1.00 0.00 H new ATOM 0 HG2 ARG A 248 47.942 14.649 25.431 1.00 0.00 H new ATOM 0 HG3 ARG A 248 46.791 13.346 25.652 1.00 0.00 H new ATOM 0 HD2 ARG A 248 49.546 12.986 24.370 1.00 0.00 H new ATOM 0 HD3 ARG A 248 49.209 12.669 26.061 1.00 0.00 H new ATOM 0 HE ARG A 248 47.286 11.220 24.511 1.00 0.00 H new ATOM 0 HH11 ARG A 248 50.725 11.391 25.183 1.00 0.00 H new ATOM 0 HH12 ARG A 248 51.000 9.669 24.898 1.00 0.00 H new ATOM 0 HH21 ARG A 248 47.648 9.007 24.150 1.00 0.00 H new ATOM 0 HH22 ARG A 248 49.271 8.330 24.318 1.00 0.00 H new ATOM 731 N ASN A 249 44.296 15.258 21.822 1.00 0.00 N ATOM 732 CA ASN A 249 43.846 15.587 20.476 1.00 0.00 C ATOM 733 C ASN A 249 44.282 16.998 20.095 1.00 0.00 C ATOM 734 O ASN A 249 44.242 17.376 18.924 1.00 0.00 O ATOM 735 CB ASN A 249 42.322 15.483 20.393 1.00 0.00 C ATOM 736 CG ASN A 249 41.682 16.369 21.456 1.00 0.00 C ATOM 737 OD1 ASN A 249 42.377 17.113 22.147 1.00 0.00 O ATOM 738 ND2 ASN A 249 40.388 16.336 21.625 1.00 0.00 N ATOM 0 H ASN A 249 43.546 15.115 22.499 1.00 0.00 H new ATOM 0 HA ASN A 249 44.296 14.879 19.781 1.00 0.00 H new ATOM 0 HB2 ASN A 249 41.982 15.785 19.403 1.00 0.00 H new ATOM 0 HB3 ASN A 249 42.011 14.448 20.535 1.00 0.00 H new ATOM 0 HD21 ASN A 249 39.951 16.928 22.331 1.00 0.00 H new ATOM 0 HD22 ASN A 249 39.814 15.718 21.051 1.00 0.00 H new ATOM 745 N MET A 250 44.699 17.773 21.092 1.00 0.00 N ATOM 746 CA MET A 250 45.138 19.141 20.845 1.00 0.00 C ATOM 747 C MET A 250 46.407 19.155 19.998 1.00 0.00 C ATOM 748 O MET A 250 46.541 19.955 19.079 1.00 0.00 O ATOM 749 CB MET A 250 45.411 19.845 22.175 1.00 0.00 C ATOM 750 CG MET A 250 44.114 19.947 22.978 1.00 0.00 C ATOM 751 SD MET A 250 44.463 20.672 24.601 1.00 0.00 S ATOM 752 CE MET A 250 44.983 22.304 24.015 1.00 0.00 C ATOM 0 H MET A 250 44.742 17.481 22.068 1.00 0.00 H new ATOM 0 HA MET A 250 44.348 19.664 20.306 1.00 0.00 H new ATOM 0 HB2 MET A 250 46.160 19.293 22.743 1.00 0.00 H new ATOM 0 HB3 MET A 250 45.818 20.840 21.994 1.00 0.00 H new ATOM 0 HG2 MET A 250 43.389 20.560 22.442 1.00 0.00 H new ATOM 0 HG3 MET A 250 43.669 18.959 23.097 1.00 0.00 H new ATOM 0 HE1 MET A 250 44.633 23.068 24.709 1.00 0.00 H new ATOM 0 HE2 MET A 250 46.071 22.339 23.955 1.00 0.00 H new ATOM 0 HE3 MET A 250 44.559 22.488 23.028 1.00 0.00 H new ATOM 762 N ARG A 251 47.334 18.259 20.312 1.00 0.00 N ATOM 763 CA ARG A 251 48.586 18.173 19.567 1.00 0.00 C ATOM 764 C ARG A 251 48.324 17.758 18.123 1.00 0.00 C ATOM 765 O ARG A 251 48.978 18.241 17.199 1.00 0.00 O ATOM 766 CB ARG A 251 49.526 17.169 20.233 1.00 0.00 C ATOM 767 CG ARG A 251 50.034 17.746 21.556 1.00 0.00 C ATOM 768 CD ARG A 251 50.902 16.706 22.265 1.00 0.00 C ATOM 769 NE ARG A 251 52.097 16.425 21.478 1.00 0.00 N ATOM 770 CZ ARG A 251 52.933 15.450 21.819 1.00 0.00 C ATOM 771 NH1 ARG A 251 52.689 14.723 22.876 1.00 0.00 N ATOM 772 NH2 ARG A 251 53.995 15.219 21.099 1.00 0.00 N ATOM 0 H ARG A 251 47.245 17.585 21.072 1.00 0.00 H new ATOM 0 HA ARG A 251 49.055 19.157 19.568 1.00 0.00 H new ATOM 0 HB2 ARG A 251 49.004 16.229 20.411 1.00 0.00 H new ATOM 0 HB3 ARG A 251 50.366 16.948 19.574 1.00 0.00 H new ATOM 0 HG2 ARG A 251 50.611 18.652 21.372 1.00 0.00 H new ATOM 0 HG3 ARG A 251 49.193 18.026 22.190 1.00 0.00 H new ATOM 0 HD2 ARG A 251 51.186 17.071 23.252 1.00 0.00 H new ATOM 0 HD3 ARG A 251 50.333 15.789 22.415 1.00 0.00 H new ATOM 0 HE ARG A 251 52.295 16.987 20.650 1.00 0.00 H new ATOM 0 HH11 ARG A 251 51.858 14.904 23.439 1.00 0.00 H new ATOM 0 HH12 ARG A 251 53.330 13.974 23.139 1.00 0.00 H new ATOM 0 HH21 ARG A 251 54.185 15.787 20.273 1.00 0.00 H new ATOM 0 HH22 ARG A 251 54.636 14.470 21.361 1.00 0.00 H new ATOM 786 N GLU A 252 47.370 16.852 17.939 1.00 0.00 N ATOM 787 CA GLU A 252 47.031 16.371 16.602 1.00 0.00 C ATOM 788 C GLU A 252 46.040 17.316 15.931 1.00 0.00 C ATOM 789 O GLU A 252 45.609 17.079 14.803 1.00 0.00 O ATOM 790 CB GLU A 252 46.425 14.969 16.689 1.00 0.00 C ATOM 791 CG GLU A 252 47.501 13.975 17.132 1.00 0.00 C ATOM 792 CD GLU A 252 46.889 12.592 17.313 1.00 0.00 C ATOM 793 OE1 GLU A 252 45.710 12.444 17.031 1.00 0.00 O ATOM 794 OE2 GLU A 252 47.605 11.698 17.734 1.00 0.00 O ATOM 0 H GLU A 252 46.820 16.438 18.692 1.00 0.00 H new ATOM 0 HA GLU A 252 47.943 16.335 16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 252 45.596 14.963 17.396 1.00 0.00 H new ATOM 0 HB3 GLU A 252 46.020 14.675 15.721 1.00 0.00 H new ATOM 0 HG2 GLU A 252 48.298 13.935 16.390 1.00 0.00 H new ATOM 0 HG3 GLU A 252 47.952 14.307 18.067 1.00 0.00 H new ATOM 801 N ASN A 253 45.679 18.384 16.634 1.00 0.00 N ATOM 802 CA ASN A 253 44.733 19.356 16.095 1.00 0.00 C ATOM 803 C ASN A 253 45.297 20.011 14.841 1.00 0.00 C ATOM 804 O ASN A 253 44.579 20.223 13.865 1.00 0.00 O ATOM 805 CB ASN A 253 44.434 20.432 17.141 1.00 0.00 C ATOM 806 CG ASN A 253 43.429 21.435 16.590 1.00 0.00 C ATOM 807 OD1 ASN A 253 43.705 22.634 16.553 1.00 0.00 O ATOM 808 ND2 ASN A 253 42.274 21.014 16.157 1.00 0.00 N ATOM 0 H ASN A 253 46.023 18.598 17.570 1.00 0.00 H new ATOM 0 HA ASN A 253 43.812 18.833 15.838 1.00 0.00 H new ATOM 0 HB2 ASN A 253 44.039 19.970 18.046 1.00 0.00 H new ATOM 0 HB3 ASN A 253 45.355 20.944 17.420 1.00 0.00 H new ATOM 0 HD21 ASN A 253 41.595 21.679 15.786 1.00 0.00 H new ATOM 0 HD22 ASN A 253 42.049 20.020 16.189 1.00 0.00 H new ATOM 815 N VAL A 254 46.588 20.333 14.874 1.00 0.00 N ATOM 816 CA VAL A 254 47.237 20.970 13.733 1.00 0.00 C ATOM 817 C VAL A 254 46.327 22.021 13.112 1.00 0.00 C ATOM 818 O VAL A 254 45.597 21.740 12.161 1.00 0.00 O ATOM 819 CB VAL A 254 47.593 19.919 12.680 1.00 0.00 C ATOM 820 CG1 VAL A 254 48.438 20.562 11.579 1.00 0.00 C ATOM 821 CG2 VAL A 254 48.388 18.790 13.338 1.00 0.00 C ATOM 0 H VAL A 254 47.201 20.165 15.672 1.00 0.00 H new ATOM 0 HA VAL A 254 48.146 21.457 14.086 1.00 0.00 H new ATOM 0 HB VAL A 254 46.678 19.516 12.245 1.00 0.00 H new ATOM 0 HG11 VAL A 254 48.691 19.812 10.830 1.00 0.00 H new ATOM 0 HG12 VAL A 254 47.873 21.367 11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 254 49.353 20.965 12.012 1.00 0.00 H new ATOM 0 HG21 VAL A 254 48.643 18.040 12.589 1.00 0.00 H new ATOM 0 HG22 VAL A 254 49.302 19.194 13.772 1.00 0.00 H new ATOM 0 HG23 VAL A 254 47.786 18.330 14.122 1.00 0.00 H new ATOM 831 N LYS A 255 46.367 23.232 13.661 1.00 0.00 N ATOM 832 CA LYS A 255 45.541 24.327 13.156 1.00 0.00 C ATOM 833 C LYS A 255 46.355 25.602 13.014 1.00 0.00 C ATOM 834 O LYS A 255 45.814 26.653 12.671 1.00 0.00 O ATOM 835 CB LYS A 255 44.355 24.563 14.116 1.00 0.00 C ATOM 836 CG LYS A 255 43.128 23.769 13.640 1.00 0.00 C ATOM 837 CD LYS A 255 42.384 24.578 12.571 1.00 0.00 C ATOM 838 CE LYS A 255 41.148 23.809 12.119 1.00 0.00 C ATOM 839 NZ LYS A 255 40.407 24.612 11.108 1.00 0.00 N ATOM 0 H LYS A 255 46.960 23.480 14.453 1.00 0.00 H new ATOM 0 HA LYS A 255 45.166 24.053 12.170 1.00 0.00 H new ATOM 0 HB2 LYS A 255 44.627 24.257 15.126 1.00 0.00 H new ATOM 0 HB3 LYS A 255 44.117 25.626 14.159 1.00 0.00 H new ATOM 0 HG2 LYS A 255 43.439 22.807 13.233 1.00 0.00 H new ATOM 0 HG3 LYS A 255 42.466 23.561 14.481 1.00 0.00 H new ATOM 0 HD2 LYS A 255 42.094 25.550 12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 255 43.039 24.766 11.721 1.00 0.00 H new ATOM 0 HE2 LYS A 255 41.439 22.849 11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 255 40.505 23.598 12.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 39.563 24.088 10.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 40.117 25.518 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 41.022 24.792 10.289 1.00 0.00 H new ATOM 853 N ARG A 256 47.647 25.503 13.278 1.00 0.00 N ATOM 854 CA ARG A 256 48.524 26.658 13.176 1.00 0.00 C ATOM 855 C ARG A 256 48.522 27.199 11.752 1.00 0.00 C ATOM 856 O ARG A 256 48.647 28.405 11.537 1.00 0.00 O ATOM 857 CB ARG A 256 49.948 26.271 13.577 1.00 0.00 C ATOM 858 CG ARG A 256 49.983 25.930 15.068 1.00 0.00 C ATOM 859 CD ARG A 256 51.398 25.501 15.461 1.00 0.00 C ATOM 860 NE ARG A 256 52.325 26.616 15.297 1.00 0.00 N ATOM 861 CZ ARG A 256 53.632 26.453 15.467 1.00 0.00 C ATOM 862 NH1 ARG A 256 54.108 25.281 15.785 1.00 0.00 N ATOM 863 NH2 ARG A 256 54.441 27.466 15.316 1.00 0.00 N ATOM 0 H ARG A 256 48.110 24.640 13.563 1.00 0.00 H new ATOM 0 HA ARG A 256 48.158 27.433 13.850 1.00 0.00 H new ATOM 0 HB2 ARG A 256 50.283 25.416 12.990 1.00 0.00 H new ATOM 0 HB3 ARG A 256 50.633 27.092 13.365 1.00 0.00 H new ATOM 0 HG2 ARG A 256 49.677 26.795 15.657 1.00 0.00 H new ATOM 0 HG3 ARG A 256 49.275 25.130 15.286 1.00 0.00 H new ATOM 0 HD2 ARG A 256 51.408 25.159 16.496 1.00 0.00 H new ATOM 0 HD3 ARG A 256 51.716 24.660 14.844 1.00 0.00 H new ATOM 0 HE ARG A 256 51.963 27.536 15.048 1.00 0.00 H new ATOM 0 HH11 ARG A 256 53.476 24.489 15.903 1.00 0.00 H new ATOM 0 HH12 ARG A 256 55.112 25.157 15.915 1.00 0.00 H new ATOM 0 HH21 ARG A 256 54.069 28.383 15.067 1.00 0.00 H new ATOM 0 HH22 ARG A 256 55.445 27.341 15.447 1.00 0.00 H new ATOM 877 N SER A 257 48.386 26.299 10.781 1.00 0.00 N ATOM 878 CA SER A 257 48.371 26.698 9.378 1.00 0.00 C ATOM 879 C SER A 257 49.625 27.491 9.030 1.00 0.00 C ATOM 880 O SER A 257 49.772 27.980 7.910 1.00 0.00 O ATOM 881 CB SER A 257 47.132 27.549 9.092 1.00 0.00 C ATOM 882 OG SER A 257 47.238 28.113 7.792 1.00 0.00 O ATOM 0 H SER A 257 48.285 25.296 10.939 1.00 0.00 H new ATOM 0 HA SER A 257 48.345 25.797 8.765 1.00 0.00 H new ATOM 0 HB2 SER A 257 46.233 26.937 9.163 1.00 0.00 H new ATOM 0 HB3 SER A 257 47.040 28.339 9.837 1.00 0.00 H new ATOM 0 HG SER A 257 48.161 28.031 7.474 1.00 0.00 H new ATOM 888 N SER A 258 50.522 27.621 10.000 1.00 0.00 N ATOM 889 CA SER A 258 51.763 28.364 9.788 1.00 0.00 C ATOM 890 C SER A 258 52.811 27.482 9.118 1.00 0.00 C ATOM 891 O SER A 258 54.005 27.622 9.371 1.00 0.00 O ATOM 892 CB SER A 258 52.301 28.874 11.125 1.00 0.00 C ATOM 893 OG SER A 258 51.407 29.846 11.650 1.00 0.00 O ATOM 0 H SER A 258 50.417 27.226 10.935 1.00 0.00 H new ATOM 0 HA SER A 258 51.549 29.211 9.136 1.00 0.00 H new ATOM 0 HB2 SER A 258 52.410 28.046 11.826 1.00 0.00 H new ATOM 0 HB3 SER A 258 53.291 29.309 10.990 1.00 0.00 H new ATOM 0 HG SER A 258 50.511 29.457 11.730 1.00 0.00 H new ATOM 899 N VAL A 259 52.353 26.571 8.268 1.00 0.00 N ATOM 900 CA VAL A 259 53.260 25.671 7.564 1.00 0.00 C ATOM 901 C VAL A 259 54.022 26.417 6.474 1.00 0.00 C ATOM 902 O VAL A 259 55.072 25.965 6.018 1.00 0.00 O ATOM 903 CB VAL A 259 52.472 24.515 6.944 1.00 0.00 C ATOM 904 CG1 VAL A 259 53.427 23.610 6.163 1.00 0.00 C ATOM 905 CG2 VAL A 259 51.797 23.707 8.053 1.00 0.00 C ATOM 0 H VAL A 259 51.366 26.436 8.050 1.00 0.00 H new ATOM 0 HA VAL A 259 53.978 25.276 8.283 1.00 0.00 H new ATOM 0 HB VAL A 259 51.713 24.911 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 259 52.867 22.786 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 259 53.910 24.186 5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 259 54.185 23.213 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 259 51.235 22.883 7.613 1.00 0.00 H new ATOM 0 HG22 VAL A 259 52.556 23.309 8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 259 51.118 24.352 8.611 1.00 0.00 H new ATOM 915 N VAL A 260 53.481 27.554 6.053 1.00 0.00 N ATOM 916 CA VAL A 260 54.111 28.350 5.008 1.00 0.00 C ATOM 917 C VAL A 260 55.497 28.811 5.444 1.00 0.00 C ATOM 918 O VAL A 260 56.329 29.182 4.617 1.00 0.00 O ATOM 919 CB VAL A 260 53.244 29.567 4.681 1.00 0.00 C ATOM 920 CG1 VAL A 260 51.866 29.102 4.210 1.00 0.00 C ATOM 921 CG2 VAL A 260 53.089 30.431 5.934 1.00 0.00 C ATOM 0 H VAL A 260 52.612 27.944 6.417 1.00 0.00 H new ATOM 0 HA VAL A 260 54.212 27.728 4.118 1.00 0.00 H new ATOM 0 HB VAL A 260 53.719 30.150 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 260 51.249 29.970 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 260 51.975 28.485 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 260 51.390 28.519 4.998 1.00 0.00 H new ATOM 0 HG21 VAL A 260 52.471 31.299 5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 260 52.614 29.847 6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 260 54.071 30.764 6.270 1.00 0.00 H new ATOM 931 N VAL A 261 55.739 28.785 6.749 1.00 0.00 N ATOM 932 CA VAL A 261 57.025 29.207 7.289 1.00 0.00 C ATOM 933 C VAL A 261 58.141 28.321 6.754 1.00 0.00 C ATOM 934 O VAL A 261 59.215 28.806 6.398 1.00 0.00 O ATOM 935 CB VAL A 261 57.003 29.130 8.816 1.00 0.00 C ATOM 936 CG1 VAL A 261 55.819 29.942 9.351 1.00 0.00 C ATOM 937 CG2 VAL A 261 56.860 27.666 9.254 1.00 0.00 C ATOM 0 H VAL A 261 55.065 28.478 7.450 1.00 0.00 H new ATOM 0 HA VAL A 261 57.208 30.236 6.980 1.00 0.00 H new ATOM 0 HB VAL A 261 57.932 29.538 9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 261 55.803 29.888 10.440 1.00 0.00 H new ATOM 0 HG12 VAL A 261 55.921 30.982 9.041 1.00 0.00 H new ATOM 0 HG13 VAL A 261 54.889 29.535 8.953 1.00 0.00 H new ATOM 0 HG21 VAL A 261 56.844 27.612 10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 261 55.931 27.256 8.857 1.00 0.00 H new ATOM 0 HG23 VAL A 261 57.703 27.089 8.874 1.00 0.00 H new ATOM 947 N ALA A 262 57.883 27.016 6.694 1.00 0.00 N ATOM 948 CA ALA A 262 58.877 26.064 6.193 1.00 0.00 C ATOM 949 C ALA A 262 58.254 25.141 5.152 1.00 0.00 C ATOM 950 O ALA A 262 57.093 24.749 5.270 1.00 0.00 O ATOM 951 CB ALA A 262 59.431 25.234 7.350 1.00 0.00 C ATOM 0 H ALA A 262 57.001 26.594 6.984 1.00 0.00 H new ATOM 0 HA ALA A 262 59.689 26.623 5.727 1.00 0.00 H new ATOM 0 HB1 ALA A 262 60.170 24.528 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 262 59.901 25.894 8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 262 58.618 24.687 7.827 1.00 0.00 H new ATOM 957 N ASN A 263 59.035 24.795 4.134 1.00 0.00 N ATOM 958 CA ASN A 263 58.553 23.915 3.077 1.00 0.00 C ATOM 959 C ASN A 263 58.178 22.551 3.646 1.00 0.00 C ATOM 960 O ASN A 263 57.212 22.486 4.388 1.00 0.00 O ATOM 961 CB ASN A 263 59.633 23.745 2.007 1.00 0.00 C ATOM 962 CG ASN A 263 59.070 22.975 0.817 1.00 0.00 C ATOM 963 OD1 ASN A 263 58.083 22.250 0.955 1.00 0.00 O ATOM 964 ND2 ASN A 263 59.637 23.092 -0.352 1.00 0.00 N ATOM 965 OXT ASN A 263 58.862 21.591 3.331 1.00 0.00 O ATOM 0 H ASN A 263 59.999 25.109 4.019 1.00 0.00 H new ATOM 0 HA ASN A 263 57.667 24.365 2.630 1.00 0.00 H new ATOM 0 HB2 ASN A 263 59.992 24.722 1.682 1.00 0.00 H new ATOM 0 HB3 ASN A 263 60.489 23.213 2.423 1.00 0.00 H new ATOM 0 HD21 ASN A 263 59.263 22.583 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 263 60.454 23.692 -0.465 1.00 0.00 H new TER 972 ASN A 263