USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=19 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 246 GLN :FLIP amide:sc= -3.16 F(o=-11!,f=-9.4) USER MOD Set 1.2: A 249 ASN : amide:sc= -6.2! C(o=-9.4!,f=-14!) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A -4 GLY N :NH3+ 135:sc= -2.34! (180deg=-5.62!) USER MOD Single : A 212 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 215 LYS NZ :NH3+ 162:sc= -0.0397 (180deg=-0.414) USER MOD Single : A 216 MET CE :methyl 149:sc= 0 (180deg=-0.0185) USER MOD Single : A 217 SER OG : rot -29:sc= 0.744 USER MOD Single : A 218 LYS NZ :NH3+ -163:sc= -0.0139 (180deg=-0.335) USER MOD Single : A 222 LYS NZ :NH3+ 148:sc= -0.318 (180deg=-1.43!) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0808) USER MOD Single : A 228 MET CE :methyl -161:sc= -0.0509 (180deg=-0.702) USER MOD Single : A 231 SER OG : rot -69:sc= -0.0221 USER MOD Single : A 235 LYS NZ :NH3+ -160:sc= -0.11 (180deg=-0.693) USER MOD Single : A 236 SER OG : rot -74:sc= 0.346 USER MOD Single : A 237 LYS NZ :NH3+ -130:sc= -0.165 (180deg=-1.69!) USER MOD Single : A 240 GLN : amide:sc=-0.00123 K(o=-0.0012,f=-1.6!) USER MOD Single : A 242 HIS : no HD1:sc= -6.59! C(o=-6.6!,f=-16!) USER MOD Single : A 243 GLN : amide:sc= -3.61! C(o=-3.6!,f=-3.5!) USER MOD Single : A 247 SER OG : rot 180:sc= 0 USER MOD Single : A 250 MET CE :methyl -147:sc= -0.0693 (180deg=-0.669) USER MOD Single : A 253 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 257 SER OG : rot 180:sc= -0.263 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 28.889 -13.268 38.489 1.00 0.00 N ATOM 2 CA GLY A -4 29.717 -12.049 38.268 1.00 0.00 C ATOM 3 C GLY A -4 30.756 -11.935 39.379 1.00 0.00 C ATOM 4 O GLY A -4 30.877 -10.896 40.028 1.00 0.00 O ATOM 0 H1 GLY A -4 27.885 -13.036 38.348 1.00 0.00 H new ATOM 0 H2 GLY A -4 29.172 -14.007 37.814 1.00 0.00 H new ATOM 0 H3 GLY A -4 29.032 -13.613 39.460 1.00 0.00 H new ATOM 0 HA2 GLY A -4 30.210 -12.102 37.297 1.00 0.00 H new ATOM 0 HA3 GLY A -4 29.083 -11.162 38.255 1.00 0.00 H new ATOM 10 N PRO A -3 31.506 -12.980 39.601 1.00 0.00 N ATOM 11 CA PRO A -3 32.564 -13.008 40.656 1.00 0.00 C ATOM 12 C PRO A -3 33.689 -12.020 40.361 1.00 0.00 C ATOM 13 O PRO A -3 34.042 -11.790 39.207 1.00 0.00 O ATOM 14 CB PRO A -3 33.076 -14.461 40.628 1.00 0.00 C ATOM 15 CG PRO A -3 32.721 -14.966 39.264 1.00 0.00 C ATOM 16 CD PRO A -3 31.431 -14.255 38.871 1.00 0.00 C ATOM 0 HA PRO A -3 32.179 -12.713 41.632 1.00 0.00 H new ATOM 0 HB2 PRO A -3 34.152 -14.505 40.798 1.00 0.00 H new ATOM 0 HB3 PRO A -3 32.605 -15.061 41.407 1.00 0.00 H new ATOM 0 HG2 PRO A -3 33.517 -14.752 38.550 1.00 0.00 H new ATOM 0 HG3 PRO A -3 32.583 -16.047 39.273 1.00 0.00 H new ATOM 0 HD2 PRO A -3 31.371 -14.098 37.794 1.00 0.00 H new ATOM 0 HD3 PRO A -3 30.551 -14.831 39.158 1.00 0.00 H new ATOM 24 N LEU A -2 34.260 -11.450 41.413 1.00 0.00 N ATOM 25 CA LEU A -2 35.355 -10.495 41.254 1.00 0.00 C ATOM 26 C LEU A -2 36.692 -11.225 41.183 1.00 0.00 C ATOM 27 O LEU A -2 37.609 -10.782 40.500 1.00 0.00 O ATOM 28 CB LEU A -2 35.368 -9.525 42.434 1.00 0.00 C ATOM 29 CG LEU A -2 35.504 -10.318 43.767 1.00 0.00 C ATOM 30 CD1 LEU A -2 36.944 -10.222 44.276 1.00 0.00 C ATOM 31 CD2 LEU A -2 34.553 -9.732 44.810 1.00 0.00 C ATOM 0 H LEU A -2 33.988 -11.628 42.380 1.00 0.00 H new ATOM 0 HA LEU A -2 35.204 -9.943 40.327 1.00 0.00 H new ATOM 0 HB2 LEU A -2 36.196 -8.824 42.331 1.00 0.00 H new ATOM 0 HB3 LEU A -2 34.451 -8.936 42.443 1.00 0.00 H new ATOM 0 HG LEU A -2 35.251 -11.364 43.593 1.00 0.00 H new ATOM 0 HD11 LEU A -2 37.038 -10.777 45.209 1.00 0.00 H new ATOM 0 HD12 LEU A -2 37.621 -10.643 43.533 1.00 0.00 H new ATOM 0 HD13 LEU A -2 37.200 -9.177 44.449 1.00 0.00 H new ATOM 0 HD21 LEU A -2 34.649 -10.288 45.743 1.00 0.00 H new ATOM 0 HD22 LEU A -2 34.804 -8.686 44.984 1.00 0.00 H new ATOM 0 HD23 LEU A -2 33.527 -9.804 44.448 1.00 0.00 H new ATOM 43 N GLY A -1 36.798 -12.341 41.900 1.00 0.00 N ATOM 44 CA GLY A -1 38.034 -13.117 41.914 1.00 0.00 C ATOM 45 C GLY A -1 38.447 -13.507 40.499 1.00 0.00 C ATOM 46 O GLY A -1 39.613 -13.802 40.241 1.00 0.00 O ATOM 0 H GLY A -1 36.048 -12.726 42.475 1.00 0.00 H new ATOM 0 HA2 GLY A -1 38.828 -12.535 42.382 1.00 0.00 H new ATOM 0 HA3 GLY A -1 37.898 -14.014 42.518 1.00 0.00 H new ATOM 50 N SER A 0 37.481 -13.512 39.588 1.00 0.00 N ATOM 51 CA SER A 0 37.752 -13.871 38.201 1.00 0.00 C ATOM 52 C SER A 0 38.743 -12.894 37.574 1.00 0.00 C ATOM 53 O SER A 0 39.388 -13.206 36.574 1.00 0.00 O ATOM 54 CB SER A 0 36.452 -13.863 37.396 1.00 0.00 C ATOM 55 OG SER A 0 36.723 -14.273 36.063 1.00 0.00 O ATOM 0 H SER A 0 36.509 -13.273 39.783 1.00 0.00 H new ATOM 0 HA SER A 0 38.186 -14.871 38.185 1.00 0.00 H new ATOM 0 HB2 SER A 0 35.723 -14.532 37.854 1.00 0.00 H new ATOM 0 HB3 SER A 0 36.014 -12.865 37.400 1.00 0.00 H new ATOM 0 HG SER A 0 35.891 -14.270 35.545 1.00 0.00 H new ATOM 61 N ILE A 211 38.857 -11.712 38.167 1.00 0.00 N ATOM 62 CA ILE A 211 39.770 -10.697 37.652 1.00 0.00 C ATOM 63 C ILE A 211 41.216 -11.174 37.758 1.00 0.00 C ATOM 64 O ILE A 211 42.010 -10.991 36.840 1.00 0.00 O ATOM 65 CB ILE A 211 39.598 -9.397 38.442 1.00 0.00 C ATOM 66 CG1 ILE A 211 40.310 -8.256 37.711 1.00 0.00 C ATOM 67 CG2 ILE A 211 40.199 -9.556 39.843 1.00 0.00 C ATOM 68 CD1 ILE A 211 39.958 -6.923 38.374 1.00 0.00 C ATOM 0 H ILE A 211 38.334 -11.433 38.997 1.00 0.00 H new ATOM 0 HA ILE A 211 39.536 -10.519 36.602 1.00 0.00 H new ATOM 0 HB ILE A 211 38.536 -9.170 38.529 1.00 0.00 H new ATOM 0 HG12 ILE A 211 41.388 -8.412 37.735 1.00 0.00 H new ATOM 0 HG13 ILE A 211 40.014 -8.242 36.662 1.00 0.00 H new ATOM 0 HG21 ILE A 211 40.074 -8.628 40.400 1.00 0.00 H new ATOM 0 HG22 ILE A 211 39.691 -10.365 40.367 1.00 0.00 H new ATOM 0 HG23 ILE A 211 41.261 -9.788 39.759 1.00 0.00 H new ATOM 0 HD11 ILE A 211 40.466 -6.112 37.852 1.00 0.00 H new ATOM 0 HD12 ILE A 211 38.880 -6.766 38.327 1.00 0.00 H new ATOM 0 HD13 ILE A 211 40.277 -6.940 39.416 1.00 0.00 H new ATOM 80 N LYS A 212 41.549 -11.781 38.890 1.00 0.00 N ATOM 81 CA LYS A 212 42.905 -12.279 39.111 1.00 0.00 C ATOM 82 C LYS A 212 43.241 -13.372 38.102 1.00 0.00 C ATOM 83 O LYS A 212 44.365 -13.446 37.601 1.00 0.00 O ATOM 84 CB LYS A 212 43.040 -12.833 40.527 1.00 0.00 C ATOM 85 CG LYS A 212 42.930 -11.687 41.536 1.00 0.00 C ATOM 86 CD LYS A 212 43.239 -12.210 42.943 1.00 0.00 C ATOM 87 CE LYS A 212 42.119 -13.147 43.410 1.00 0.00 C ATOM 88 NZ LYS A 212 42.196 -13.320 44.884 1.00 0.00 N ATOM 0 H LYS A 212 40.906 -11.941 39.665 1.00 0.00 H new ATOM 0 HA LYS A 212 43.600 -11.449 38.982 1.00 0.00 H new ATOM 0 HB2 LYS A 212 42.262 -13.573 40.715 1.00 0.00 H new ATOM 0 HB3 LYS A 212 43.998 -13.341 40.640 1.00 0.00 H new ATOM 0 HG2 LYS A 212 43.625 -10.889 41.273 1.00 0.00 H new ATOM 0 HG3 LYS A 212 41.928 -11.259 41.508 1.00 0.00 H new ATOM 0 HD2 LYS A 212 44.191 -12.740 42.942 1.00 0.00 H new ATOM 0 HD3 LYS A 212 43.339 -11.375 43.637 1.00 0.00 H new ATOM 0 HE2 LYS A 212 41.148 -12.737 43.132 1.00 0.00 H new ATOM 0 HE3 LYS A 212 42.210 -14.114 42.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 212 41.436 -13.956 45.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 212 43.118 -13.730 45.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 212 42.089 -12.396 45.348 1.00 0.00 H new ATOM 102 N GLU A 213 42.262 -14.221 37.808 1.00 0.00 N ATOM 103 CA GLU A 213 42.460 -15.309 36.857 1.00 0.00 C ATOM 104 C GLU A 213 42.983 -14.764 35.534 1.00 0.00 C ATOM 105 O GLU A 213 43.495 -15.513 34.699 1.00 0.00 O ATOM 106 CB GLU A 213 41.143 -16.051 36.624 1.00 0.00 C ATOM 107 CG GLU A 213 40.734 -16.784 37.903 1.00 0.00 C ATOM 108 CD GLU A 213 39.380 -17.458 37.707 1.00 0.00 C ATOM 109 OE1 GLU A 213 38.872 -17.409 36.599 1.00 0.00 O ATOM 110 OE2 GLU A 213 38.868 -18.007 38.669 1.00 0.00 O ATOM 0 H GLU A 213 41.327 -14.177 38.213 1.00 0.00 H new ATOM 0 HA GLU A 213 43.193 -16.002 37.270 1.00 0.00 H new ATOM 0 HB2 GLU A 213 40.364 -15.347 36.331 1.00 0.00 H new ATOM 0 HB3 GLU A 213 41.254 -16.762 35.805 1.00 0.00 H new ATOM 0 HG2 GLU A 213 41.486 -17.529 38.162 1.00 0.00 H new ATOM 0 HG3 GLU A 213 40.683 -16.081 38.734 1.00 0.00 H new ATOM 117 N LEU A 214 42.854 -13.457 35.356 1.00 0.00 N ATOM 118 CA LEU A 214 43.315 -12.815 34.139 1.00 0.00 C ATOM 119 C LEU A 214 44.820 -13.007 33.978 1.00 0.00 C ATOM 120 O LEU A 214 45.307 -13.290 32.884 1.00 0.00 O ATOM 121 CB LEU A 214 42.985 -11.318 34.178 1.00 0.00 C ATOM 122 CG LEU A 214 43.463 -10.639 32.886 1.00 0.00 C ATOM 123 CD1 LEU A 214 42.748 -11.266 31.675 1.00 0.00 C ATOM 124 CD2 LEU A 214 43.155 -9.145 32.950 1.00 0.00 C ATOM 0 H LEU A 214 42.435 -12.824 36.038 1.00 0.00 H new ATOM 0 HA LEU A 214 42.807 -13.272 33.290 1.00 0.00 H new ATOM 0 HB2 LEU A 214 41.911 -11.177 34.296 1.00 0.00 H new ATOM 0 HB3 LEU A 214 43.464 -10.854 35.040 1.00 0.00 H new ATOM 0 HG LEU A 214 44.538 -10.781 32.780 1.00 0.00 H new ATOM 0 HD11 LEU A 214 43.090 -10.782 30.760 1.00 0.00 H new ATOM 0 HD12 LEU A 214 42.976 -12.331 31.629 1.00 0.00 H new ATOM 0 HD13 LEU A 214 41.671 -11.130 31.777 1.00 0.00 H new ATOM 0 HD21 LEU A 214 43.495 -8.664 32.033 1.00 0.00 H new ATOM 0 HD22 LEU A 214 42.080 -8.999 33.060 1.00 0.00 H new ATOM 0 HD23 LEU A 214 43.670 -8.704 33.803 1.00 0.00 H new ATOM 136 N LYS A 215 45.550 -12.840 35.074 1.00 0.00 N ATOM 137 CA LYS A 215 46.998 -12.995 35.041 1.00 0.00 C ATOM 138 C LYS A 215 47.364 -14.422 34.661 1.00 0.00 C ATOM 139 O LYS A 215 48.292 -14.652 33.885 1.00 0.00 O ATOM 140 CB LYS A 215 47.594 -12.661 36.410 1.00 0.00 C ATOM 141 CG LYS A 215 47.442 -11.164 36.683 1.00 0.00 C ATOM 142 CD LYS A 215 48.035 -10.832 38.053 1.00 0.00 C ATOM 143 CE LYS A 215 47.960 -9.323 38.290 1.00 0.00 C ATOM 144 NZ LYS A 215 46.531 -8.896 38.322 1.00 0.00 N ATOM 0 H LYS A 215 45.167 -12.599 35.988 1.00 0.00 H new ATOM 0 HA LYS A 215 47.404 -12.311 34.296 1.00 0.00 H new ATOM 0 HB2 LYS A 215 47.091 -13.236 37.187 1.00 0.00 H new ATOM 0 HB3 LYS A 215 48.647 -12.941 36.438 1.00 0.00 H new ATOM 0 HG2 LYS A 215 47.948 -10.589 35.907 1.00 0.00 H new ATOM 0 HG3 LYS A 215 46.389 -10.883 36.653 1.00 0.00 H new ATOM 0 HD2 LYS A 215 47.490 -11.361 38.835 1.00 0.00 H new ATOM 0 HD3 LYS A 215 49.071 -11.168 38.104 1.00 0.00 H new ATOM 0 HE2 LYS A 215 48.449 -9.067 39.230 1.00 0.00 H new ATOM 0 HE3 LYS A 215 48.492 -8.793 37.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 46.458 -7.963 38.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 46.164 -8.840 37.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 45.974 -9.588 38.863 1.00 0.00 H new ATOM 158 N MET A 216 46.624 -15.384 35.204 1.00 0.00 N ATOM 159 CA MET A 216 46.885 -16.783 34.907 1.00 0.00 C ATOM 160 C MET A 216 46.688 -17.050 33.420 1.00 0.00 C ATOM 161 O MET A 216 47.454 -17.791 32.803 1.00 0.00 O ATOM 162 CB MET A 216 45.947 -17.681 35.717 1.00 0.00 C ATOM 163 CG MET A 216 46.278 -19.158 35.446 1.00 0.00 C ATOM 164 SD MET A 216 45.470 -19.689 33.916 1.00 0.00 S ATOM 165 CE MET A 216 43.859 -20.090 34.637 1.00 0.00 C ATOM 0 H MET A 216 45.848 -15.221 35.845 1.00 0.00 H new ATOM 0 HA MET A 216 47.917 -17.007 35.178 1.00 0.00 H new ATOM 0 HB2 MET A 216 46.050 -17.465 36.780 1.00 0.00 H new ATOM 0 HB3 MET A 216 44.911 -17.476 35.449 1.00 0.00 H new ATOM 0 HG2 MET A 216 47.357 -19.291 35.365 1.00 0.00 H new ATOM 0 HG3 MET A 216 45.943 -19.775 36.280 1.00 0.00 H new ATOM 0 HE1 MET A 216 43.076 -19.910 33.901 1.00 0.00 H new ATOM 0 HE2 MET A 216 43.844 -21.139 34.934 1.00 0.00 H new ATOM 0 HE3 MET A 216 43.686 -19.463 35.512 1.00 0.00 H new ATOM 175 N SER A 217 45.651 -16.444 32.852 1.00 0.00 N ATOM 176 CA SER A 217 45.353 -16.619 31.434 1.00 0.00 C ATOM 177 C SER A 217 46.162 -15.637 30.596 1.00 0.00 C ATOM 178 O SER A 217 45.636 -14.634 30.116 1.00 0.00 O ATOM 179 CB SER A 217 43.861 -16.400 31.185 1.00 0.00 C ATOM 180 OG SER A 217 43.507 -16.969 29.931 1.00 0.00 O ATOM 0 H SER A 217 45.005 -15.830 33.348 1.00 0.00 H new ATOM 0 HA SER A 217 45.623 -17.635 31.145 1.00 0.00 H new ATOM 0 HB2 SER A 217 43.276 -16.857 31.983 1.00 0.00 H new ATOM 0 HB3 SER A 217 43.632 -15.334 31.192 1.00 0.00 H new ATOM 0 HG SER A 217 44.281 -16.943 29.330 1.00 0.00 H new ATOM 186 N LYS A 218 47.441 -15.937 30.418 1.00 0.00 N ATOM 187 CA LYS A 218 48.310 -15.078 29.629 1.00 0.00 C ATOM 188 C LYS A 218 47.851 -15.031 28.176 1.00 0.00 C ATOM 189 O LYS A 218 47.969 -14.000 27.509 1.00 0.00 O ATOM 190 CB LYS A 218 49.751 -15.593 29.695 1.00 0.00 C ATOM 191 CG LYS A 218 50.721 -14.488 29.227 1.00 0.00 C ATOM 192 CD LYS A 218 51.116 -13.611 30.420 1.00 0.00 C ATOM 193 CE LYS A 218 51.994 -12.460 29.936 1.00 0.00 C ATOM 194 NZ LYS A 218 53.276 -13.005 29.407 1.00 0.00 N ATOM 0 H LYS A 218 47.897 -16.763 30.806 1.00 0.00 H new ATOM 0 HA LYS A 218 48.262 -14.071 30.042 1.00 0.00 H new ATOM 0 HB2 LYS A 218 49.993 -15.895 30.714 1.00 0.00 H new ATOM 0 HB3 LYS A 218 49.861 -16.477 29.066 1.00 0.00 H new ATOM 0 HG2 LYS A 218 51.610 -14.935 28.781 1.00 0.00 H new ATOM 0 HG3 LYS A 218 50.250 -13.879 28.456 1.00 0.00 H new ATOM 0 HD2 LYS A 218 50.224 -13.221 30.910 1.00 0.00 H new ATOM 0 HD3 LYS A 218 51.652 -14.205 31.160 1.00 0.00 H new ATOM 0 HE2 LYS A 218 51.478 -11.896 29.159 1.00 0.00 H new ATOM 0 HE3 LYS A 218 52.190 -11.768 30.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 53.979 -12.241 29.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 53.626 -13.749 30.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 53.118 -13.406 28.460 1.00 0.00 H new ATOM 208 N ASP A 219 47.335 -16.152 27.690 1.00 0.00 N ATOM 209 CA ASP A 219 46.864 -16.229 26.313 1.00 0.00 C ATOM 210 C ASP A 219 45.677 -15.296 26.099 1.00 0.00 C ATOM 211 O ASP A 219 45.401 -14.875 24.977 1.00 0.00 O ATOM 212 CB ASP A 219 46.450 -17.668 25.986 1.00 0.00 C ATOM 213 CG ASP A 219 45.406 -18.152 26.987 1.00 0.00 C ATOM 214 OD1 ASP A 219 44.906 -17.329 27.735 1.00 0.00 O ATOM 215 OD2 ASP A 219 45.122 -19.337 26.992 1.00 0.00 O ATOM 0 H ASP A 219 47.232 -17.015 28.224 1.00 0.00 H new ATOM 0 HA ASP A 219 47.675 -15.922 25.652 1.00 0.00 H new ATOM 0 HB2 ASP A 219 46.046 -17.718 24.975 1.00 0.00 H new ATOM 0 HB3 ASP A 219 47.322 -18.321 26.014 1.00 0.00 H new ATOM 220 N GLU A 220 44.978 -14.978 27.185 1.00 0.00 N ATOM 221 CA GLU A 220 43.821 -14.095 27.101 1.00 0.00 C ATOM 222 C GLU A 220 44.241 -12.709 26.620 1.00 0.00 C ATOM 223 O GLU A 220 43.538 -12.075 25.834 1.00 0.00 O ATOM 224 CB GLU A 220 43.153 -13.979 28.472 1.00 0.00 C ATOM 225 CG GLU A 220 41.868 -13.155 28.349 1.00 0.00 C ATOM 226 CD GLU A 220 41.159 -13.091 29.697 1.00 0.00 C ATOM 227 OE1 GLU A 220 41.508 -13.874 30.567 1.00 0.00 O ATOM 228 OE2 GLU A 220 40.276 -12.263 29.840 1.00 0.00 O ATOM 0 H GLU A 220 45.190 -15.315 28.124 1.00 0.00 H new ATOM 0 HA GLU A 220 43.114 -14.518 26.387 1.00 0.00 H new ATOM 0 HB2 GLU A 220 42.925 -14.971 28.862 1.00 0.00 H new ATOM 0 HB3 GLU A 220 43.833 -13.507 29.181 1.00 0.00 H new ATOM 0 HG2 GLU A 220 42.103 -12.148 28.004 1.00 0.00 H new ATOM 0 HG3 GLU A 220 41.210 -13.601 27.603 1.00 0.00 H new ATOM 235 N ILE A 221 45.392 -12.246 27.094 1.00 0.00 N ATOM 236 CA ILE A 221 45.896 -10.935 26.703 1.00 0.00 C ATOM 237 C ILE A 221 46.193 -10.898 25.213 1.00 0.00 C ATOM 238 O ILE A 221 45.857 -9.931 24.530 1.00 0.00 O ATOM 239 CB ILE A 221 47.170 -10.609 27.492 1.00 0.00 C ATOM 240 CG1 ILE A 221 46.906 -10.793 28.991 1.00 0.00 C ATOM 241 CG2 ILE A 221 47.584 -9.160 27.227 1.00 0.00 C ATOM 242 CD1 ILE A 221 45.687 -9.959 29.420 1.00 0.00 C ATOM 0 H ILE A 221 45.990 -12.755 27.745 1.00 0.00 H new ATOM 0 HA ILE A 221 45.131 -10.191 26.925 1.00 0.00 H new ATOM 0 HB ILE A 221 47.969 -11.279 27.176 1.00 0.00 H new ATOM 0 HG12 ILE A 221 46.731 -11.846 29.211 1.00 0.00 H new ATOM 0 HG13 ILE A 221 47.783 -10.490 29.562 1.00 0.00 H new ATOM 0 HG21 ILE A 221 48.490 -8.932 27.789 1.00 0.00 H new ATOM 0 HG22 ILE A 221 47.774 -9.025 26.162 1.00 0.00 H new ATOM 0 HG23 ILE A 221 46.784 -8.490 27.541 1.00 0.00 H new ATOM 0 HD11 ILE A 221 45.509 -10.097 30.486 1.00 0.00 H new ATOM 0 HD12 ILE A 221 45.878 -8.905 29.218 1.00 0.00 H new ATOM 0 HD13 ILE A 221 44.809 -10.283 28.860 1.00 0.00 H new ATOM 254 N LYS A 222 46.826 -11.949 24.715 1.00 0.00 N ATOM 255 CA LYS A 222 47.161 -12.024 23.299 1.00 0.00 C ATOM 256 C LYS A 222 45.898 -12.054 22.446 1.00 0.00 C ATOM 257 O LYS A 222 45.834 -11.422 21.394 1.00 0.00 O ATOM 258 CB LYS A 222 47.986 -13.277 23.027 1.00 0.00 C ATOM 259 CG LYS A 222 49.362 -13.134 23.684 1.00 0.00 C ATOM 260 CD LYS A 222 50.162 -14.437 23.504 1.00 0.00 C ATOM 261 CE LYS A 222 50.821 -14.452 22.122 1.00 0.00 C ATOM 262 NZ LYS A 222 51.713 -13.265 21.986 1.00 0.00 N ATOM 0 H LYS A 222 47.117 -12.757 25.265 1.00 0.00 H new ATOM 0 HA LYS A 222 47.741 -11.139 23.037 1.00 0.00 H new ATOM 0 HB2 LYS A 222 47.473 -14.155 23.419 1.00 0.00 H new ATOM 0 HB3 LYS A 222 48.098 -13.426 21.953 1.00 0.00 H new ATOM 0 HG2 LYS A 222 49.903 -12.299 23.238 1.00 0.00 H new ATOM 0 HG3 LYS A 222 49.248 -12.910 24.745 1.00 0.00 H new ATOM 0 HD2 LYS A 222 50.922 -14.518 24.281 1.00 0.00 H new ATOM 0 HD3 LYS A 222 49.502 -15.298 23.612 1.00 0.00 H new ATOM 0 HE2 LYS A 222 51.395 -15.369 21.991 1.00 0.00 H new ATOM 0 HE3 LYS A 222 50.059 -14.439 21.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 222 52.521 -13.506 21.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 222 51.182 -12.478 21.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 222 52.059 -12.981 22.925 1.00 0.00 H new ATOM 276 N ARG A 223 44.900 -12.802 22.904 1.00 0.00 N ATOM 277 CA ARG A 223 43.644 -12.915 22.173 1.00 0.00 C ATOM 278 C ARG A 223 42.914 -11.577 22.149 1.00 0.00 C ATOM 279 O ARG A 223 42.060 -11.339 21.296 1.00 0.00 O ATOM 280 CB ARG A 223 42.753 -13.971 22.832 1.00 0.00 C ATOM 281 CG ARG A 223 41.481 -14.155 22.003 1.00 0.00 C ATOM 282 CD ARG A 223 40.647 -15.296 22.586 1.00 0.00 C ATOM 283 NE ARG A 223 40.191 -14.949 23.930 1.00 0.00 N ATOM 284 CZ ARG A 223 39.081 -14.245 24.120 1.00 0.00 C ATOM 285 NH1 ARG A 223 38.375 -13.849 23.093 1.00 0.00 N ATOM 286 NH2 ARG A 223 38.694 -13.948 25.329 1.00 0.00 N ATOM 0 H ARG A 223 44.936 -13.336 23.772 1.00 0.00 H new ATOM 0 HA ARG A 223 43.867 -13.212 21.148 1.00 0.00 H new ATOM 0 HB2 ARG A 223 43.289 -14.917 22.910 1.00 0.00 H new ATOM 0 HB3 ARG A 223 42.498 -13.665 23.846 1.00 0.00 H new ATOM 0 HG2 ARG A 223 40.901 -13.232 22.000 1.00 0.00 H new ATOM 0 HG3 ARG A 223 41.739 -14.373 20.967 1.00 0.00 H new ATOM 0 HD2 ARG A 223 39.790 -15.496 21.943 1.00 0.00 H new ATOM 0 HD3 ARG A 223 41.240 -16.210 22.619 1.00 0.00 H new ATOM 0 HE ARG A 223 40.735 -15.253 24.737 1.00 0.00 H new ATOM 0 HH11 ARG A 223 38.677 -14.081 22.147 1.00 0.00 H new ATOM 0 HH12 ARG A 223 37.522 -13.308 23.238 1.00 0.00 H new ATOM 0 HH21 ARG A 223 39.244 -14.256 26.131 1.00 0.00 H new ATOM 0 HH22 ARG A 223 37.841 -13.407 25.473 1.00 0.00 H new ATOM 300 N GLU A 224 43.256 -10.706 23.091 1.00 0.00 N ATOM 301 CA GLU A 224 42.620 -9.396 23.170 1.00 0.00 C ATOM 302 C GLU A 224 42.866 -8.605 21.889 1.00 0.00 C ATOM 303 O GLU A 224 41.961 -7.949 21.372 1.00 0.00 O ATOM 304 CB GLU A 224 43.175 -8.619 24.366 1.00 0.00 C ATOM 305 CG GLU A 224 42.332 -7.365 24.602 1.00 0.00 C ATOM 306 CD GLU A 224 40.958 -7.757 25.136 1.00 0.00 C ATOM 307 OE1 GLU A 224 40.771 -8.924 25.438 1.00 0.00 O ATOM 308 OE2 GLU A 224 40.112 -6.885 25.234 1.00 0.00 O ATOM 0 H GLU A 224 43.963 -10.880 23.805 1.00 0.00 H new ATOM 0 HA GLU A 224 41.547 -9.539 23.296 1.00 0.00 H new ATOM 0 HB2 GLU A 224 43.166 -9.248 25.256 1.00 0.00 H new ATOM 0 HB3 GLU A 224 44.213 -8.342 24.182 1.00 0.00 H new ATOM 0 HG2 GLU A 224 42.834 -6.707 25.312 1.00 0.00 H new ATOM 0 HG3 GLU A 224 42.225 -6.808 23.671 1.00 0.00 H new ATOM 315 N TYR A 225 44.090 -8.672 21.378 1.00 0.00 N ATOM 316 CA TYR A 225 44.436 -7.959 20.153 1.00 0.00 C ATOM 317 C TYR A 225 43.617 -8.483 18.979 1.00 0.00 C ATOM 318 O TYR A 225 43.133 -7.708 18.160 1.00 0.00 O ATOM 319 CB TYR A 225 45.928 -8.116 19.856 1.00 0.00 C ATOM 320 CG TYR A 225 46.732 -7.363 20.890 1.00 0.00 C ATOM 321 CD1 TYR A 225 46.938 -5.985 20.751 1.00 0.00 C ATOM 322 CD2 TYR A 225 47.262 -8.042 21.994 1.00 0.00 C ATOM 323 CE1 TYR A 225 47.685 -5.289 21.709 1.00 0.00 C ATOM 324 CE2 TYR A 225 48.009 -7.345 22.951 1.00 0.00 C ATOM 325 CZ TYR A 225 48.216 -5.967 22.812 1.00 0.00 C ATOM 326 OH TYR A 225 48.950 -5.281 23.756 1.00 0.00 O ATOM 0 H TYR A 225 44.854 -9.208 21.789 1.00 0.00 H new ATOM 0 HA TYR A 225 44.209 -6.902 20.294 1.00 0.00 H new ATOM 0 HB2 TYR A 225 46.202 -9.171 19.865 1.00 0.00 H new ATOM 0 HB3 TYR A 225 46.153 -7.737 18.859 1.00 0.00 H new ATOM 0 HD1 TYR A 225 46.521 -5.459 19.905 1.00 0.00 H new ATOM 0 HD2 TYR A 225 47.095 -9.103 22.107 1.00 0.00 H new ATOM 0 HE1 TYR A 225 47.852 -4.228 21.597 1.00 0.00 H new ATOM 0 HE2 TYR A 225 48.426 -7.871 23.797 1.00 0.00 H new ATOM 0 HH TYR A 225 49.244 -5.901 24.456 1.00 0.00 H new ATOM 336 N LYS A 226 43.475 -9.800 18.902 1.00 0.00 N ATOM 337 CA LYS A 226 42.713 -10.413 17.818 1.00 0.00 C ATOM 338 C LYS A 226 41.246 -10.012 17.898 1.00 0.00 C ATOM 339 O LYS A 226 40.602 -9.781 16.874 1.00 0.00 O ATOM 340 CB LYS A 226 42.841 -11.943 17.890 1.00 0.00 C ATOM 341 CG LYS A 226 44.199 -12.378 17.331 1.00 0.00 C ATOM 342 CD LYS A 226 45.319 -11.846 18.227 1.00 0.00 C ATOM 343 CE LYS A 226 46.624 -12.561 17.894 1.00 0.00 C ATOM 344 NZ LYS A 226 47.048 -12.200 16.510 1.00 0.00 N ATOM 0 H LYS A 226 43.873 -10.460 19.570 1.00 0.00 H new ATOM 0 HA LYS A 226 43.117 -10.061 16.869 1.00 0.00 H new ATOM 0 HB2 LYS A 226 42.739 -12.277 18.922 1.00 0.00 H new ATOM 0 HB3 LYS A 226 42.037 -12.411 17.322 1.00 0.00 H new ATOM 0 HG2 LYS A 226 44.249 -13.465 17.276 1.00 0.00 H new ATOM 0 HG3 LYS A 226 44.323 -12.002 16.315 1.00 0.00 H new ATOM 0 HD2 LYS A 226 45.434 -10.772 18.083 1.00 0.00 H new ATOM 0 HD3 LYS A 226 45.065 -12.002 19.275 1.00 0.00 H new ATOM 0 HE2 LYS A 226 47.398 -12.280 18.608 1.00 0.00 H new ATOM 0 HE3 LYS A 226 46.491 -13.640 17.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 226 48.020 -12.531 16.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 226 46.410 -12.649 15.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 226 47.010 -11.167 16.394 1.00 0.00 H new ATOM 358 N GLU A 227 40.718 -9.949 19.115 1.00 0.00 N ATOM 359 CA GLU A 227 39.320 -9.588 19.313 1.00 0.00 C ATOM 360 C GLU A 227 38.998 -8.280 18.596 1.00 0.00 C ATOM 361 O GLU A 227 37.834 -7.959 18.358 1.00 0.00 O ATOM 362 CB GLU A 227 39.028 -9.438 20.807 1.00 0.00 C ATOM 363 CG GLU A 227 37.527 -9.232 21.015 1.00 0.00 C ATOM 364 CD GLU A 227 37.203 -9.217 22.503 1.00 0.00 C ATOM 365 OE1 GLU A 227 37.565 -10.167 23.177 1.00 0.00 O ATOM 366 OE2 GLU A 227 36.598 -8.254 22.948 1.00 0.00 O ATOM 0 H GLU A 227 41.233 -10.142 19.974 1.00 0.00 H new ATOM 0 HA GLU A 227 38.696 -10.380 18.898 1.00 0.00 H new ATOM 0 HB2 GLU A 227 39.362 -10.325 21.345 1.00 0.00 H new ATOM 0 HB3 GLU A 227 39.582 -8.592 21.214 1.00 0.00 H new ATOM 0 HG2 GLU A 227 37.214 -8.294 20.557 1.00 0.00 H new ATOM 0 HG3 GLU A 227 36.971 -10.029 20.522 1.00 0.00 H new ATOM 373 N MET A 228 40.034 -7.529 18.249 1.00 0.00 N ATOM 374 CA MET A 228 39.844 -6.258 17.560 1.00 0.00 C ATOM 375 C MET A 228 39.125 -6.471 16.230 1.00 0.00 C ATOM 376 O MET A 228 38.250 -5.691 15.853 1.00 0.00 O ATOM 377 CB MET A 228 41.205 -5.591 17.319 1.00 0.00 C ATOM 378 CG MET A 228 41.925 -6.290 16.161 1.00 0.00 C ATOM 379 SD MET A 228 43.676 -5.831 16.171 1.00 0.00 S ATOM 380 CE MET A 228 43.448 -4.078 15.788 1.00 0.00 C ATOM 0 H MET A 228 41.007 -7.774 18.431 1.00 0.00 H new ATOM 0 HA MET A 228 39.230 -5.610 18.185 1.00 0.00 H new ATOM 0 HB2 MET A 228 41.067 -4.534 17.089 1.00 0.00 H new ATOM 0 HB3 MET A 228 41.812 -5.644 18.223 1.00 0.00 H new ATOM 0 HG2 MET A 228 41.821 -7.371 16.254 1.00 0.00 H new ATOM 0 HG3 MET A 228 41.470 -6.007 15.212 1.00 0.00 H new ATOM 0 HE1 MET A 228 44.384 -3.662 15.415 1.00 0.00 H new ATOM 0 HE2 MET A 228 42.674 -3.969 15.028 1.00 0.00 H new ATOM 0 HE3 MET A 228 43.148 -3.545 16.690 1.00 0.00 H new ATOM 390 N GLU A 229 39.513 -7.523 15.521 1.00 0.00 N ATOM 391 CA GLU A 229 38.905 -7.827 14.233 1.00 0.00 C ATOM 392 C GLU A 229 37.461 -8.269 14.419 1.00 0.00 C ATOM 393 O GLU A 229 36.588 -7.923 13.623 1.00 0.00 O ATOM 394 CB GLU A 229 39.697 -8.932 13.527 1.00 0.00 C ATOM 395 CG GLU A 229 41.094 -8.420 13.169 1.00 0.00 C ATOM 396 CD GLU A 229 40.992 -7.317 12.120 1.00 0.00 C ATOM 397 OE1 GLU A 229 39.983 -7.269 11.438 1.00 0.00 O ATOM 398 OE2 GLU A 229 41.924 -6.535 12.018 1.00 0.00 O ATOM 0 H GLU A 229 40.240 -8.176 15.813 1.00 0.00 H new ATOM 0 HA GLU A 229 38.921 -6.926 13.620 1.00 0.00 H new ATOM 0 HB2 GLU A 229 39.775 -9.806 14.173 1.00 0.00 H new ATOM 0 HB3 GLU A 229 39.173 -9.248 12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 229 41.591 -8.040 14.062 1.00 0.00 H new ATOM 0 HG3 GLU A 229 41.704 -9.239 12.789 1.00 0.00 H new ATOM 405 N GLY A 230 37.213 -9.035 15.477 1.00 0.00 N ATOM 406 CA GLY A 230 35.868 -9.519 15.759 1.00 0.00 C ATOM 407 C GLY A 230 34.914 -8.357 16.009 1.00 0.00 C ATOM 408 O GLY A 230 33.770 -8.373 15.556 1.00 0.00 O ATOM 0 H GLY A 230 37.921 -9.332 16.148 1.00 0.00 H new ATOM 0 HA2 GLY A 230 35.509 -10.116 14.921 1.00 0.00 H new ATOM 0 HA3 GLY A 230 35.888 -10.173 16.631 1.00 0.00 H new ATOM 412 N SER A 231 35.391 -7.350 16.731 1.00 0.00 N ATOM 413 CA SER A 231 34.569 -6.186 17.035 1.00 0.00 C ATOM 414 C SER A 231 33.286 -6.607 17.747 1.00 0.00 C ATOM 415 O SER A 231 32.183 -6.344 17.263 1.00 0.00 O ATOM 416 CB SER A 231 34.222 -5.442 15.747 1.00 0.00 C ATOM 417 OG SER A 231 33.135 -6.095 15.106 1.00 0.00 O ATOM 0 H SER A 231 36.336 -7.316 17.114 1.00 0.00 H new ATOM 0 HA SER A 231 35.135 -5.526 17.693 1.00 0.00 H new ATOM 0 HB2 SER A 231 33.959 -4.408 15.970 1.00 0.00 H new ATOM 0 HB3 SER A 231 35.087 -5.415 15.084 1.00 0.00 H new ATOM 0 HG SER A 231 33.430 -6.966 14.768 1.00 0.00 H new ATOM 423 N PRO A 232 33.413 -7.250 18.882 1.00 0.00 N ATOM 424 CA PRO A 232 32.237 -7.710 19.679 1.00 0.00 C ATOM 425 C PRO A 232 31.482 -6.543 20.306 1.00 0.00 C ATOM 426 O PRO A 232 31.751 -5.383 20.001 1.00 0.00 O ATOM 427 CB PRO A 232 32.856 -8.621 20.756 1.00 0.00 C ATOM 428 CG PRO A 232 34.290 -8.188 20.878 1.00 0.00 C ATOM 429 CD PRO A 232 34.692 -7.599 19.517 1.00 0.00 C ATOM 0 HA PRO A 232 31.497 -8.224 19.065 1.00 0.00 H new ATOM 0 HB2 PRO A 232 32.333 -8.515 21.706 1.00 0.00 H new ATOM 0 HB3 PRO A 232 32.787 -9.670 20.469 1.00 0.00 H new ATOM 0 HG2 PRO A 232 34.404 -7.447 21.669 1.00 0.00 H new ATOM 0 HG3 PRO A 232 34.928 -9.033 21.138 1.00 0.00 H new ATOM 0 HD2 PRO A 232 35.330 -6.723 19.635 1.00 0.00 H new ATOM 0 HD3 PRO A 232 35.249 -8.321 18.920 1.00 0.00 H new ATOM 437 N GLU A 233 30.541 -6.865 21.185 1.00 0.00 N ATOM 438 CA GLU A 233 29.749 -5.843 21.855 1.00 0.00 C ATOM 439 C GLU A 233 30.629 -5.000 22.772 1.00 0.00 C ATOM 440 O GLU A 233 30.379 -3.810 22.968 1.00 0.00 O ATOM 441 CB GLU A 233 28.634 -6.494 22.674 1.00 0.00 C ATOM 442 CG GLU A 233 27.625 -7.149 21.729 1.00 0.00 C ATOM 443 CD GLU A 233 26.553 -7.877 22.534 1.00 0.00 C ATOM 444 OE1 GLU A 233 26.607 -7.810 23.752 1.00 0.00 O ATOM 445 OE2 GLU A 233 25.695 -8.491 21.922 1.00 0.00 O ATOM 0 H GLU A 233 30.309 -7.822 21.449 1.00 0.00 H new ATOM 0 HA GLU A 233 29.309 -5.197 21.095 1.00 0.00 H new ATOM 0 HB2 GLU A 233 29.052 -7.239 23.350 1.00 0.00 H new ATOM 0 HB3 GLU A 233 28.137 -5.746 23.292 1.00 0.00 H new ATOM 0 HG2 GLU A 233 27.164 -6.392 21.095 1.00 0.00 H new ATOM 0 HG3 GLU A 233 28.135 -7.851 21.069 1.00 0.00 H new ATOM 452 N ILE A 234 31.658 -5.623 23.335 1.00 0.00 N ATOM 453 CA ILE A 234 32.566 -4.921 24.232 1.00 0.00 C ATOM 454 C ILE A 234 33.189 -3.717 23.528 1.00 0.00 C ATOM 455 O ILE A 234 33.936 -2.948 24.134 1.00 0.00 O ATOM 456 CB ILE A 234 33.674 -5.870 24.703 1.00 0.00 C ATOM 457 CG1 ILE A 234 33.057 -7.001 25.530 1.00 0.00 C ATOM 458 CG2 ILE A 234 34.682 -5.094 25.569 1.00 0.00 C ATOM 459 CD1 ILE A 234 34.102 -8.097 25.751 1.00 0.00 C ATOM 0 H ILE A 234 31.883 -6.607 23.187 1.00 0.00 H new ATOM 0 HA ILE A 234 31.998 -4.571 25.094 1.00 0.00 H new ATOM 0 HB ILE A 234 34.186 -6.289 23.837 1.00 0.00 H new ATOM 0 HG12 ILE A 234 32.708 -6.617 26.489 1.00 0.00 H new ATOM 0 HG13 ILE A 234 32.188 -7.410 25.015 1.00 0.00 H new ATOM 0 HG21 ILE A 234 35.470 -5.769 25.904 1.00 0.00 H new ATOM 0 HG22 ILE A 234 35.121 -4.287 24.982 1.00 0.00 H new ATOM 0 HG23 ILE A 234 34.171 -4.675 26.436 1.00 0.00 H new ATOM 0 HD11 ILE A 234 33.665 -8.903 26.340 1.00 0.00 H new ATOM 0 HD12 ILE A 234 34.429 -8.487 24.787 1.00 0.00 H new ATOM 0 HD13 ILE A 234 34.958 -7.682 26.284 1.00 0.00 H new ATOM 471 N LYS A 235 32.873 -3.555 22.252 1.00 0.00 N ATOM 472 CA LYS A 235 33.409 -2.441 21.481 1.00 0.00 C ATOM 473 C LYS A 235 32.866 -1.117 22.008 1.00 0.00 C ATOM 474 O LYS A 235 33.541 -0.089 21.943 1.00 0.00 O ATOM 475 CB LYS A 235 33.031 -2.601 20.004 1.00 0.00 C ATOM 476 CG LYS A 235 31.511 -2.500 19.846 1.00 0.00 C ATOM 477 CD LYS A 235 31.128 -2.799 18.397 1.00 0.00 C ATOM 478 CE LYS A 235 29.618 -2.621 18.223 1.00 0.00 C ATOM 479 NZ LYS A 235 28.901 -3.664 19.009 1.00 0.00 N ATOM 0 H LYS A 235 32.253 -4.175 21.731 1.00 0.00 H new ATOM 0 HA LYS A 235 34.494 -2.440 21.580 1.00 0.00 H new ATOM 0 HB2 LYS A 235 33.520 -1.831 19.408 1.00 0.00 H new ATOM 0 HB3 LYS A 235 33.382 -3.563 19.631 1.00 0.00 H new ATOM 0 HG2 LYS A 235 31.018 -3.204 20.516 1.00 0.00 H new ATOM 0 HG3 LYS A 235 31.171 -1.503 20.125 1.00 0.00 H new ATOM 0 HD2 LYS A 235 31.664 -2.131 17.722 1.00 0.00 H new ATOM 0 HD3 LYS A 235 31.418 -3.817 18.135 1.00 0.00 H new ATOM 0 HE2 LYS A 235 29.317 -1.628 18.557 1.00 0.00 H new ATOM 0 HE3 LYS A 235 29.351 -2.697 17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 27.933 -3.770 18.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 29.404 -4.570 18.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 28.864 -3.381 20.009 1.00 0.00 H new ATOM 493 N SER A 236 31.641 -1.149 22.523 1.00 0.00 N ATOM 494 CA SER A 236 31.012 0.056 23.051 1.00 0.00 C ATOM 495 C SER A 236 31.763 0.549 24.282 1.00 0.00 C ATOM 496 O SER A 236 31.864 1.745 24.519 1.00 0.00 O ATOM 497 CB SER A 236 29.558 -0.231 23.420 1.00 0.00 C ATOM 498 OG SER A 236 29.514 -1.267 24.392 1.00 0.00 O ATOM 0 H SER A 236 31.068 -1.990 22.586 1.00 0.00 H new ATOM 0 HA SER A 236 31.043 0.828 22.283 1.00 0.00 H new ATOM 0 HB2 SER A 236 29.086 0.670 23.811 1.00 0.00 H new ATOM 0 HB3 SER A 236 28.997 -0.525 22.533 1.00 0.00 H new ATOM 0 HG SER A 236 29.707 -2.127 23.963 1.00 0.00 H new ATOM 504 N LYS A 237 32.287 -0.384 25.065 1.00 0.00 N ATOM 505 CA LYS A 237 33.028 -0.033 26.271 1.00 0.00 C ATOM 506 C LYS A 237 34.314 0.707 25.911 1.00 0.00 C ATOM 507 O LYS A 237 34.793 1.545 26.674 1.00 0.00 O ATOM 508 CB LYS A 237 33.363 -1.297 27.066 1.00 0.00 C ATOM 509 CG LYS A 237 33.963 -0.906 28.420 1.00 0.00 C ATOM 510 CD LYS A 237 34.187 -2.164 29.263 1.00 0.00 C ATOM 511 CE LYS A 237 34.756 -1.771 30.627 1.00 0.00 C ATOM 512 NZ LYS A 237 36.132 -1.226 30.452 1.00 0.00 N ATOM 0 H LYS A 237 32.214 -1.386 24.889 1.00 0.00 H new ATOM 0 HA LYS A 237 32.406 0.621 26.882 1.00 0.00 H new ATOM 0 HB2 LYS A 237 32.464 -1.895 27.214 1.00 0.00 H new ATOM 0 HB3 LYS A 237 34.068 -1.914 26.509 1.00 0.00 H new ATOM 0 HG2 LYS A 237 34.907 -0.381 28.273 1.00 0.00 H new ATOM 0 HG3 LYS A 237 33.295 -0.221 28.941 1.00 0.00 H new ATOM 0 HD2 LYS A 237 33.247 -2.701 29.391 1.00 0.00 H new ATOM 0 HD3 LYS A 237 34.873 -2.839 28.752 1.00 0.00 H new ATOM 0 HE2 LYS A 237 34.116 -1.026 31.099 1.00 0.00 H new ATOM 0 HE3 LYS A 237 34.778 -2.638 31.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 237 36.780 -1.699 31.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 237 36.450 -1.394 29.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 237 36.127 -0.204 30.644 1.00 0.00 H new ATOM 526 N ARG A 238 34.879 0.373 24.755 1.00 0.00 N ATOM 527 CA ARG A 238 36.119 1.000 24.311 1.00 0.00 C ATOM 528 C ARG A 238 35.905 2.488 24.052 1.00 0.00 C ATOM 529 O ARG A 238 36.852 3.274 24.065 1.00 0.00 O ATOM 530 CB ARG A 238 36.619 0.323 23.034 1.00 0.00 C ATOM 531 CG ARG A 238 37.975 0.912 22.635 1.00 0.00 C ATOM 532 CD ARG A 238 38.504 0.187 21.398 1.00 0.00 C ATOM 533 NE ARG A 238 39.850 0.654 21.077 1.00 0.00 N ATOM 534 CZ ARG A 238 40.921 0.125 21.661 1.00 0.00 C ATOM 535 NH1 ARG A 238 40.777 -0.824 22.546 1.00 0.00 N ATOM 536 NH2 ARG A 238 42.113 0.552 21.351 1.00 0.00 N ATOM 0 H ARG A 238 34.501 -0.323 24.113 1.00 0.00 H new ATOM 0 HA ARG A 238 36.864 0.884 25.098 1.00 0.00 H new ATOM 0 HB2 ARG A 238 36.711 -0.752 23.192 1.00 0.00 H new ATOM 0 HB3 ARG A 238 35.898 0.466 22.229 1.00 0.00 H new ATOM 0 HG2 ARG A 238 37.874 1.978 22.429 1.00 0.00 H new ATOM 0 HG3 ARG A 238 38.683 0.812 23.458 1.00 0.00 H new ATOM 0 HD2 ARG A 238 38.517 -0.888 21.576 1.00 0.00 H new ATOM 0 HD3 ARG A 238 37.839 0.362 20.552 1.00 0.00 H new ATOM 0 HE ARG A 238 39.971 1.400 20.392 1.00 0.00 H new ATOM 0 HH11 ARG A 238 39.844 -1.158 22.788 1.00 0.00 H new ATOM 0 HH12 ARG A 238 41.597 -1.231 22.995 1.00 0.00 H new ATOM 0 HH21 ARG A 238 42.225 1.293 20.659 1.00 0.00 H new ATOM 0 HH22 ARG A 238 42.933 0.145 21.800 1.00 0.00 H new ATOM 550 N ARG A 239 34.655 2.865 23.813 1.00 0.00 N ATOM 551 CA ARG A 239 34.327 4.260 23.545 1.00 0.00 C ATOM 552 C ARG A 239 34.669 5.131 24.748 1.00 0.00 C ATOM 553 O ARG A 239 35.092 6.270 24.595 1.00 0.00 O ATOM 554 CB ARG A 239 32.839 4.397 23.222 1.00 0.00 C ATOM 555 CG ARG A 239 32.536 3.686 21.897 1.00 0.00 C ATOM 556 CD ARG A 239 31.033 3.730 21.625 1.00 0.00 C ATOM 557 NE ARG A 239 30.595 5.109 21.443 1.00 0.00 N ATOM 558 CZ ARG A 239 29.305 5.413 21.341 1.00 0.00 C ATOM 559 NH1 ARG A 239 28.407 4.467 21.400 1.00 0.00 N ATOM 560 NH2 ARG A 239 28.936 6.654 21.183 1.00 0.00 N ATOM 0 H ARG A 239 33.857 2.230 23.799 1.00 0.00 H new ATOM 0 HA ARG A 239 34.915 4.592 22.690 1.00 0.00 H new ATOM 0 HB2 ARG A 239 32.241 3.965 24.024 1.00 0.00 H new ATOM 0 HB3 ARG A 239 32.566 5.450 23.153 1.00 0.00 H new ATOM 0 HG2 ARG A 239 33.078 4.167 21.082 1.00 0.00 H new ATOM 0 HG3 ARG A 239 32.878 2.652 21.941 1.00 0.00 H new ATOM 0 HD2 ARG A 239 30.800 3.146 20.735 1.00 0.00 H new ATOM 0 HD3 ARG A 239 30.492 3.275 22.455 1.00 0.00 H new ATOM 0 HE ARG A 239 31.291 5.853 21.393 1.00 0.00 H new ATOM 0 HH11 ARG A 239 28.696 3.497 21.524 1.00 0.00 H new ATOM 0 HH12 ARG A 239 27.417 4.698 21.322 1.00 0.00 H new ATOM 0 HH21 ARG A 239 29.638 7.393 21.138 1.00 0.00 H new ATOM 0 HH22 ARG A 239 27.946 6.886 21.105 1.00 0.00 H new ATOM 574 N GLN A 240 34.476 4.589 25.943 1.00 0.00 N ATOM 575 CA GLN A 240 34.766 5.331 27.168 1.00 0.00 C ATOM 576 C GLN A 240 36.251 5.668 27.258 1.00 0.00 C ATOM 577 O GLN A 240 36.625 6.738 27.735 1.00 0.00 O ATOM 578 CB GLN A 240 34.354 4.507 28.388 1.00 0.00 C ATOM 579 CG GLN A 240 34.618 5.315 29.662 1.00 0.00 C ATOM 580 CD GLN A 240 34.049 4.581 30.871 1.00 0.00 C ATOM 581 OE1 GLN A 240 33.210 3.693 30.722 1.00 0.00 O ATOM 582 NE2 GLN A 240 34.459 4.900 32.067 1.00 0.00 N ATOM 0 H GLN A 240 34.122 3.644 26.093 1.00 0.00 H new ATOM 0 HA GLN A 240 34.197 6.260 27.147 1.00 0.00 H new ATOM 0 HB2 GLN A 240 33.298 4.244 28.323 1.00 0.00 H new ATOM 0 HB3 GLN A 240 34.914 3.572 28.415 1.00 0.00 H new ATOM 0 HG2 GLN A 240 35.690 5.468 29.790 1.00 0.00 H new ATOM 0 HG3 GLN A 240 34.163 6.302 29.578 1.00 0.00 H new ATOM 0 HE21 GLN A 240 35.154 5.636 32.188 1.00 0.00 H new ATOM 0 HE22 GLN A 240 34.084 4.413 32.881 1.00 0.00 H new ATOM 591 N PHE A 241 37.092 4.748 26.800 1.00 0.00 N ATOM 592 CA PHE A 241 38.536 4.960 26.835 1.00 0.00 C ATOM 593 C PHE A 241 38.939 6.092 25.898 1.00 0.00 C ATOM 594 O PHE A 241 40.009 6.678 26.047 1.00 0.00 O ATOM 595 CB PHE A 241 39.266 3.675 26.433 1.00 0.00 C ATOM 596 CG PHE A 241 39.180 2.671 27.560 1.00 0.00 C ATOM 597 CD1 PHE A 241 38.017 1.912 27.736 1.00 0.00 C ATOM 598 CD2 PHE A 241 40.268 2.494 28.424 1.00 0.00 C ATOM 599 CE1 PHE A 241 37.939 0.984 28.778 1.00 0.00 C ATOM 600 CE2 PHE A 241 40.189 1.567 29.468 1.00 0.00 C ATOM 601 CZ PHE A 241 39.027 0.806 29.643 1.00 0.00 C ATOM 0 H PHE A 241 36.803 3.854 26.403 1.00 0.00 H new ATOM 0 HA PHE A 241 38.816 5.232 27.853 1.00 0.00 H new ATOM 0 HB2 PHE A 241 38.822 3.260 25.528 1.00 0.00 H new ATOM 0 HB3 PHE A 241 40.309 3.893 26.205 1.00 0.00 H new ATOM 0 HD1 PHE A 241 37.180 2.044 27.066 1.00 0.00 H new ATOM 0 HD2 PHE A 241 41.168 3.074 28.284 1.00 0.00 H new ATOM 0 HE1 PHE A 241 37.039 0.403 28.917 1.00 0.00 H new ATOM 0 HE2 PHE A 241 41.025 1.438 30.140 1.00 0.00 H new ATOM 0 HZ PHE A 241 38.969 0.083 30.443 1.00 0.00 H new ATOM 611 N HIS A 242 38.078 6.390 24.930 1.00 0.00 N ATOM 612 CA HIS A 242 38.362 7.452 23.973 1.00 0.00 C ATOM 613 C HIS A 242 38.961 8.664 24.679 1.00 0.00 C ATOM 614 O HIS A 242 39.680 9.460 24.077 1.00 0.00 O ATOM 615 CB HIS A 242 37.073 7.860 23.253 1.00 0.00 C ATOM 616 CG HIS A 242 36.176 8.600 24.210 1.00 0.00 C ATOM 617 ND1 HIS A 242 36.087 8.254 25.551 1.00 0.00 N ATOM 618 CD2 HIS A 242 35.335 9.666 24.041 1.00 0.00 C ATOM 619 CE1 HIS A 242 35.218 9.101 26.130 1.00 0.00 C ATOM 620 NE2 HIS A 242 34.730 9.982 25.255 1.00 0.00 N ATOM 0 H HIS A 242 37.186 5.916 24.788 1.00 0.00 H new ATOM 0 HA HIS A 242 39.083 7.080 23.245 1.00 0.00 H new ATOM 0 HB2 HIS A 242 37.307 8.491 22.395 1.00 0.00 H new ATOM 0 HB3 HIS A 242 36.563 6.976 22.869 1.00 0.00 H new ATOM 0 HD2 HIS A 242 35.166 10.184 23.108 1.00 0.00 H new ATOM 0 HE1 HIS A 242 34.948 9.072 27.175 1.00 0.00 H new ATOM 0 HE2 HIS A 242 34.058 10.727 25.436 1.00 0.00 H new ATOM 628 N GLN A 243 38.641 8.801 25.961 1.00 0.00 N ATOM 629 CA GLN A 243 39.146 9.915 26.750 1.00 0.00 C ATOM 630 C GLN A 243 40.654 9.802 26.915 1.00 0.00 C ATOM 631 O GLN A 243 41.371 10.797 26.836 1.00 0.00 O ATOM 632 CB GLN A 243 38.472 9.928 28.131 1.00 0.00 C ATOM 633 CG GLN A 243 38.542 11.338 28.727 1.00 0.00 C ATOM 634 CD GLN A 243 39.996 11.768 28.884 1.00 0.00 C ATOM 635 OE1 GLN A 243 40.776 11.088 29.551 1.00 0.00 O ATOM 636 NE2 GLN A 243 40.413 12.857 28.299 1.00 0.00 N ATOM 0 H GLN A 243 38.037 8.157 26.473 1.00 0.00 H new ATOM 0 HA GLN A 243 38.916 10.845 26.230 1.00 0.00 H new ATOM 0 HB2 GLN A 243 37.433 9.612 28.042 1.00 0.00 H new ATOM 0 HB3 GLN A 243 38.966 9.218 28.794 1.00 0.00 H new ATOM 0 HG2 GLN A 243 38.014 12.041 28.082 1.00 0.00 H new ATOM 0 HG3 GLN A 243 38.042 11.357 29.695 1.00 0.00 H new ATOM 0 HE21 GLN A 243 39.765 13.419 27.747 1.00 0.00 H new ATOM 0 HE22 GLN A 243 41.387 13.146 28.394 1.00 0.00 H new ATOM 645 N GLU A 244 41.127 8.582 27.142 1.00 0.00 N ATOM 646 CA GLU A 244 42.554 8.360 27.312 1.00 0.00 C ATOM 647 C GLU A 244 43.283 8.646 26.005 1.00 0.00 C ATOM 648 O GLU A 244 44.345 9.270 25.995 1.00 0.00 O ATOM 649 CB GLU A 244 42.817 6.916 27.739 1.00 0.00 C ATOM 650 CG GLU A 244 42.262 6.689 29.146 1.00 0.00 C ATOM 651 CD GLU A 244 42.443 5.229 29.549 1.00 0.00 C ATOM 652 OE1 GLU A 244 43.038 4.491 28.780 1.00 0.00 O ATOM 653 OE2 GLU A 244 41.979 4.869 30.620 1.00 0.00 O ATOM 0 H GLU A 244 40.551 7.743 27.212 1.00 0.00 H new ATOM 0 HA GLU A 244 42.922 9.033 28.086 1.00 0.00 H new ATOM 0 HB2 GLU A 244 42.348 6.227 27.036 1.00 0.00 H new ATOM 0 HB3 GLU A 244 43.887 6.710 27.721 1.00 0.00 H new ATOM 0 HG2 GLU A 244 42.774 7.337 29.857 1.00 0.00 H new ATOM 0 HG3 GLU A 244 41.205 6.955 29.176 1.00 0.00 H new ATOM 660 N ILE A 245 42.695 8.194 24.903 1.00 0.00 N ATOM 661 CA ILE A 245 43.281 8.406 23.587 1.00 0.00 C ATOM 662 C ILE A 245 43.237 9.883 23.211 1.00 0.00 C ATOM 663 O ILE A 245 44.066 10.361 22.433 1.00 0.00 O ATOM 664 CB ILE A 245 42.515 7.591 22.543 1.00 0.00 C ATOM 665 CG1 ILE A 245 42.568 6.108 22.918 1.00 0.00 C ATOM 666 CG2 ILE A 245 43.148 7.793 21.166 1.00 0.00 C ATOM 667 CD1 ILE A 245 41.605 5.320 22.027 1.00 0.00 C ATOM 0 H ILE A 245 41.814 7.679 24.896 1.00 0.00 H new ATOM 0 HA ILE A 245 44.321 8.082 23.615 1.00 0.00 H new ATOM 0 HB ILE A 245 41.477 7.923 22.514 1.00 0.00 H new ATOM 0 HG12 ILE A 245 43.583 5.728 22.799 1.00 0.00 H new ATOM 0 HG13 ILE A 245 42.299 5.977 23.966 1.00 0.00 H new ATOM 0 HG21 ILE A 245 42.600 7.211 20.425 1.00 0.00 H new ATOM 0 HG22 ILE A 245 43.109 8.849 20.899 1.00 0.00 H new ATOM 0 HG23 ILE A 245 44.187 7.463 21.191 1.00 0.00 H new ATOM 0 HD11 ILE A 245 41.643 4.264 22.295 1.00 0.00 H new ATOM 0 HD12 ILE A 245 40.591 5.694 22.168 1.00 0.00 H new ATOM 0 HD13 ILE A 245 41.894 5.440 20.983 1.00 0.00 H new ATOM 679 N GLN A 246 42.264 10.601 23.761 1.00 0.00 N ATOM 680 CA GLN A 246 42.120 12.021 23.471 1.00 0.00 C ATOM 681 C GLN A 246 43.334 12.795 23.980 1.00 0.00 C ATOM 682 O GLN A 246 43.868 13.657 23.283 1.00 0.00 O ATOM 683 CB GLN A 246 40.852 12.563 24.134 1.00 0.00 C ATOM 684 CG GLN A 246 40.594 13.998 23.660 1.00 0.00 C ATOM 685 CD GLN A 246 40.223 13.997 22.181 1.00 0.00 C ATOM 686 OE1 GLN A 246 40.631 14.973 21.416 1.00 0.00 O flip ATOM 687 NE2 GLN A 246 39.543 13.085 21.711 1.00 0.00 N flip ATOM 0 H GLN A 246 41.568 10.226 24.406 1.00 0.00 H new ATOM 0 HA GLN A 246 42.047 12.148 22.391 1.00 0.00 H new ATOM 0 HB2 GLN A 246 40.001 11.929 23.886 1.00 0.00 H new ATOM 0 HB3 GLN A 246 40.960 12.542 25.218 1.00 0.00 H new ATOM 0 HG2 GLN A 246 39.790 14.445 24.245 1.00 0.00 H new ATOM 0 HG3 GLN A 246 41.482 14.609 23.821 1.00 0.00 H new ATOM 0 HE21 GLN A 246 39.226 12.324 22.311 1.00 0.00 H new ATOM 0 HE22 GLN A 246 39.297 13.090 20.721 1.00 0.00 H new ATOM 696 N SER A 247 43.757 12.487 25.201 1.00 0.00 N ATOM 697 CA SER A 247 44.905 13.162 25.796 1.00 0.00 C ATOM 698 C SER A 247 46.185 12.788 25.060 1.00 0.00 C ATOM 699 O SER A 247 47.205 13.465 25.185 1.00 0.00 O ATOM 700 CB SER A 247 45.031 12.779 27.270 1.00 0.00 C ATOM 701 OG SER A 247 46.075 13.537 27.865 1.00 0.00 O ATOM 0 H SER A 247 43.326 11.779 25.795 1.00 0.00 H new ATOM 0 HA SER A 247 44.753 14.238 25.714 1.00 0.00 H new ATOM 0 HB2 SER A 247 44.090 12.966 27.788 1.00 0.00 H new ATOM 0 HB3 SER A 247 45.241 11.713 27.364 1.00 0.00 H new ATOM 0 HG SER A 247 46.157 13.295 28.811 1.00 0.00 H new ATOM 707 N ARG A 248 46.129 11.702 24.295 1.00 0.00 N ATOM 708 CA ARG A 248 47.296 11.241 23.544 1.00 0.00 C ATOM 709 C ARG A 248 47.305 11.848 22.144 1.00 0.00 C ATOM 710 O ARG A 248 48.125 11.479 21.306 1.00 0.00 O ATOM 711 CB ARG A 248 47.281 9.713 23.440 1.00 0.00 C ATOM 712 CG ARG A 248 47.455 9.105 24.832 1.00 0.00 C ATOM 713 CD ARG A 248 47.351 7.581 24.742 1.00 0.00 C ATOM 714 NE ARG A 248 48.443 7.050 23.930 1.00 0.00 N ATOM 715 CZ ARG A 248 49.629 6.778 24.464 1.00 0.00 C ATOM 716 NH1 ARG A 248 49.836 6.990 25.735 1.00 0.00 N ATOM 717 NH2 ARG A 248 50.586 6.300 23.717 1.00 0.00 N ATOM 0 H ARG A 248 45.295 11.127 24.178 1.00 0.00 H new ATOM 0 HA ARG A 248 48.194 11.560 24.073 1.00 0.00 H new ATOM 0 HB2 ARG A 248 46.342 9.377 23.000 1.00 0.00 H new ATOM 0 HB3 ARG A 248 48.081 9.375 22.781 1.00 0.00 H new ATOM 0 HG2 ARG A 248 48.422 9.390 25.246 1.00 0.00 H new ATOM 0 HG3 ARG A 248 46.692 9.493 25.507 1.00 0.00 H new ATOM 0 HD2 ARG A 248 47.386 7.147 25.741 1.00 0.00 H new ATOM 0 HD3 ARG A 248 46.393 7.299 24.306 1.00 0.00 H new ATOM 0 HE ARG A 248 48.292 6.885 22.935 1.00 0.00 H new ATOM 0 HH11 ARG A 248 49.088 7.364 26.318 1.00 0.00 H new ATOM 0 HH12 ARG A 248 50.746 6.781 26.145 1.00 0.00 H new ATOM 0 HH21 ARG A 248 50.424 6.135 22.724 1.00 0.00 H new ATOM 0 HH22 ARG A 248 51.497 6.091 24.126 1.00 0.00 H new ATOM 731 N ASN A 249 46.386 12.777 21.901 1.00 0.00 N ATOM 732 CA ASN A 249 46.301 13.430 20.602 1.00 0.00 C ATOM 733 C ASN A 249 47.516 14.323 20.366 1.00 0.00 C ATOM 734 O ASN A 249 47.389 15.542 20.248 1.00 0.00 O ATOM 735 CB ASN A 249 45.023 14.268 20.524 1.00 0.00 C ATOM 736 CG ASN A 249 43.800 13.361 20.591 1.00 0.00 C ATOM 737 OD1 ASN A 249 42.701 13.825 20.894 1.00 0.00 O ATOM 738 ND2 ASN A 249 43.926 12.088 20.329 1.00 0.00 N ATOM 0 H ASN A 249 45.695 13.092 22.582 1.00 0.00 H new ATOM 0 HA ASN A 249 46.279 12.661 19.830 1.00 0.00 H new ATOM 0 HB2 ASN A 249 44.999 14.986 21.344 1.00 0.00 H new ATOM 0 HB3 ASN A 249 45.010 14.841 19.597 1.00 0.00 H new ATOM 0 HD21 ASN A 249 43.112 11.475 20.375 1.00 0.00 H new ATOM 0 HD22 ASN A 249 44.838 11.707 20.078 1.00 0.00 H new ATOM 745 N MET A 250 48.692 13.707 20.298 1.00 0.00 N ATOM 746 CA MET A 250 49.923 14.455 20.073 1.00 0.00 C ATOM 747 C MET A 250 49.943 15.046 18.669 1.00 0.00 C ATOM 748 O MET A 250 50.413 16.158 18.464 1.00 0.00 O ATOM 749 CB MET A 250 51.132 13.542 20.264 1.00 0.00 C ATOM 750 CG MET A 250 51.239 13.138 21.736 1.00 0.00 C ATOM 751 SD MET A 250 52.733 12.144 21.982 1.00 0.00 S ATOM 752 CE MET A 250 52.152 10.637 21.164 1.00 0.00 C ATOM 0 H MET A 250 48.818 12.699 20.395 1.00 0.00 H new ATOM 0 HA MET A 250 49.967 15.269 20.796 1.00 0.00 H new ATOM 0 HB2 MET A 250 51.033 12.655 19.639 1.00 0.00 H new ATOM 0 HB3 MET A 250 52.041 14.054 19.949 1.00 0.00 H new ATOM 0 HG2 MET A 250 51.272 14.026 22.367 1.00 0.00 H new ATOM 0 HG3 MET A 250 50.358 12.569 22.033 1.00 0.00 H new ATOM 0 HE1 MET A 250 52.585 9.766 21.656 1.00 0.00 H new ATOM 0 HE2 MET A 250 51.065 10.586 21.225 1.00 0.00 H new ATOM 0 HE3 MET A 250 52.456 10.651 20.117 1.00 0.00 H new ATOM 762 N ARG A 251 49.434 14.292 17.706 1.00 0.00 N ATOM 763 CA ARG A 251 49.401 14.752 16.322 1.00 0.00 C ATOM 764 C ARG A 251 48.534 16.003 16.190 1.00 0.00 C ATOM 765 O ARG A 251 48.851 16.909 15.419 1.00 0.00 O ATOM 766 CB ARG A 251 48.850 13.647 15.418 1.00 0.00 C ATOM 767 CG ARG A 251 49.882 12.524 15.297 1.00 0.00 C ATOM 768 CD ARG A 251 49.317 11.405 14.420 1.00 0.00 C ATOM 769 NE ARG A 251 50.290 10.326 14.290 1.00 0.00 N ATOM 770 CZ ARG A 251 50.158 9.392 13.354 1.00 0.00 C ATOM 771 NH1 ARG A 251 49.148 9.431 12.530 1.00 0.00 N ATOM 772 NH2 ARG A 251 51.040 8.433 13.262 1.00 0.00 N ATOM 0 H ARG A 251 49.039 13.363 17.854 1.00 0.00 H new ATOM 0 HA ARG A 251 50.418 14.998 16.017 1.00 0.00 H new ATOM 0 HB2 ARG A 251 47.919 13.257 15.829 1.00 0.00 H new ATOM 0 HB3 ARG A 251 48.619 14.051 14.432 1.00 0.00 H new ATOM 0 HG2 ARG A 251 50.805 12.909 14.864 1.00 0.00 H new ATOM 0 HG3 ARG A 251 50.131 12.136 16.285 1.00 0.00 H new ATOM 0 HD2 ARG A 251 48.395 11.022 14.856 1.00 0.00 H new ATOM 0 HD3 ARG A 251 49.065 11.797 13.435 1.00 0.00 H new ATOM 0 HE ARG A 251 51.085 10.288 14.928 1.00 0.00 H new ATOM 0 HH11 ARG A 251 48.458 10.179 12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 251 49.048 8.714 11.812 1.00 0.00 H new ATOM 0 HH21 ARG A 251 51.829 8.402 13.908 1.00 0.00 H new ATOM 0 HH22 ARG A 251 50.940 7.715 12.544 1.00 0.00 H new ATOM 786 N GLU A 252 47.436 16.038 16.935 1.00 0.00 N ATOM 787 CA GLU A 252 46.527 17.177 16.884 1.00 0.00 C ATOM 788 C GLU A 252 47.263 18.464 17.239 1.00 0.00 C ATOM 789 O GLU A 252 46.831 19.559 16.876 1.00 0.00 O ATOM 790 CB GLU A 252 45.366 16.966 17.857 1.00 0.00 C ATOM 791 CG GLU A 252 44.363 18.112 17.717 1.00 0.00 C ATOM 792 CD GLU A 252 43.151 17.858 18.606 1.00 0.00 C ATOM 793 OE1 GLU A 252 42.569 16.793 18.493 1.00 0.00 O ATOM 794 OE2 GLU A 252 42.821 18.735 19.390 1.00 0.00 O ATOM 0 H GLU A 252 47.154 15.297 17.577 1.00 0.00 H new ATOM 0 HA GLU A 252 46.137 17.261 15.869 1.00 0.00 H new ATOM 0 HB2 GLU A 252 44.876 16.014 17.653 1.00 0.00 H new ATOM 0 HB3 GLU A 252 45.740 16.920 18.880 1.00 0.00 H new ATOM 0 HG2 GLU A 252 44.835 19.055 17.993 1.00 0.00 H new ATOM 0 HG3 GLU A 252 44.048 18.205 16.678 1.00 0.00 H new ATOM 801 N ASN A 253 48.376 18.325 17.950 1.00 0.00 N ATOM 802 CA ASN A 253 49.165 19.483 18.349 1.00 0.00 C ATOM 803 C ASN A 253 49.712 20.206 17.123 1.00 0.00 C ATOM 804 O ASN A 253 49.721 21.436 17.066 1.00 0.00 O ATOM 805 CB ASN A 253 50.325 19.044 19.245 1.00 0.00 C ATOM 806 CG ASN A 253 51.127 20.257 19.699 1.00 0.00 C ATOM 807 OD1 ASN A 253 50.562 21.325 19.921 1.00 0.00 O ATOM 808 ND2 ASN A 253 52.420 20.151 19.852 1.00 0.00 N ATOM 0 H ASN A 253 48.750 17.428 18.260 1.00 0.00 H new ATOM 0 HA ASN A 253 48.519 20.165 18.902 1.00 0.00 H new ATOM 0 HB2 ASN A 253 49.941 18.507 20.113 1.00 0.00 H new ATOM 0 HB3 ASN A 253 50.971 18.353 18.703 1.00 0.00 H new ATOM 0 HD21 ASN A 253 52.965 20.957 20.157 1.00 0.00 H new ATOM 0 HD22 ASN A 253 52.884 19.262 19.666 1.00 0.00 H new ATOM 815 N VAL A 254 50.163 19.434 16.140 1.00 0.00 N ATOM 816 CA VAL A 254 50.707 20.009 14.918 1.00 0.00 C ATOM 817 C VAL A 254 49.579 20.428 13.986 1.00 0.00 C ATOM 818 O VAL A 254 48.653 19.658 13.737 1.00 0.00 O ATOM 819 CB VAL A 254 51.600 18.987 14.210 1.00 0.00 C ATOM 820 CG1 VAL A 254 52.086 19.564 12.876 1.00 0.00 C ATOM 821 CG2 VAL A 254 52.806 18.669 15.097 1.00 0.00 C ATOM 0 H VAL A 254 50.162 18.414 16.166 1.00 0.00 H new ATOM 0 HA VAL A 254 51.299 20.886 15.180 1.00 0.00 H new ATOM 0 HB VAL A 254 51.032 18.076 14.023 1.00 0.00 H new ATOM 0 HG11 VAL A 254 52.722 18.834 12.374 1.00 0.00 H new ATOM 0 HG12 VAL A 254 51.228 19.793 12.244 1.00 0.00 H new ATOM 0 HG13 VAL A 254 52.655 20.475 13.060 1.00 0.00 H new ATOM 0 HG21 VAL A 254 53.444 17.941 14.596 1.00 0.00 H new ATOM 0 HG22 VAL A 254 53.372 19.582 15.282 1.00 0.00 H new ATOM 0 HG23 VAL A 254 52.461 18.257 16.046 1.00 0.00 H new ATOM 831 N LYS A 255 49.656 21.656 13.473 1.00 0.00 N ATOM 832 CA LYS A 255 48.628 22.170 12.560 1.00 0.00 C ATOM 833 C LYS A 255 49.226 22.434 11.188 1.00 0.00 C ATOM 834 O LYS A 255 49.816 23.488 10.948 1.00 0.00 O ATOM 835 CB LYS A 255 48.041 23.464 13.124 1.00 0.00 C ATOM 836 CG LYS A 255 47.270 23.153 14.410 1.00 0.00 C ATOM 837 CD LYS A 255 46.684 24.447 14.978 1.00 0.00 C ATOM 838 CE LYS A 255 45.908 24.137 16.258 1.00 0.00 C ATOM 839 NZ LYS A 255 45.348 25.400 16.817 1.00 0.00 N ATOM 0 H LYS A 255 50.412 22.311 13.670 1.00 0.00 H new ATOM 0 HA LYS A 255 47.839 21.425 12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 255 48.838 24.179 13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 255 47.378 23.925 12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 255 46.472 22.439 14.205 1.00 0.00 H new ATOM 0 HG3 LYS A 255 47.932 22.689 15.141 1.00 0.00 H new ATOM 0 HD2 LYS A 255 47.482 25.159 15.188 1.00 0.00 H new ATOM 0 HD3 LYS A 255 46.026 24.913 14.245 1.00 0.00 H new ATOM 0 HE2 LYS A 255 45.104 23.432 16.047 1.00 0.00 H new ATOM 0 HE3 LYS A 255 46.564 23.663 16.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 44.820 25.190 17.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 46.124 26.058 17.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 44.709 25.834 16.121 1.00 0.00 H new ATOM 853 N ARG A 256 49.068 21.473 10.285 1.00 0.00 N ATOM 854 CA ARG A 256 49.593 21.619 8.938 1.00 0.00 C ATOM 855 C ARG A 256 48.943 22.804 8.237 1.00 0.00 C ATOM 856 O ARG A 256 49.620 23.617 7.605 1.00 0.00 O ATOM 857 CB ARG A 256 49.335 20.342 8.130 1.00 0.00 C ATOM 858 CG ARG A 256 50.153 20.378 6.823 1.00 0.00 C ATOM 859 CD ARG A 256 51.554 19.811 7.078 1.00 0.00 C ATOM 860 NE ARG A 256 52.347 19.866 5.860 1.00 0.00 N ATOM 861 CZ ARG A 256 52.948 20.990 5.483 1.00 0.00 C ATOM 862 NH1 ARG A 256 52.830 22.068 6.209 1.00 0.00 N ATOM 863 NH2 ARG A 256 53.654 21.016 4.387 1.00 0.00 N ATOM 0 H ARG A 256 48.584 20.592 10.461 1.00 0.00 H new ATOM 0 HA ARG A 256 50.667 21.793 9.006 1.00 0.00 H new ATOM 0 HB2 ARG A 256 49.610 19.466 8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 256 48.273 20.253 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 256 49.649 19.797 6.051 1.00 0.00 H new ATOM 0 HG3 ARG A 256 50.225 21.402 6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 256 52.046 20.379 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 256 51.480 18.781 7.426 1.00 0.00 H new ATOM 0 HE ARG A 256 52.443 19.028 5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 256 52.277 22.048 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 256 53.291 22.931 5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 256 53.745 20.174 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 256 54.115 21.879 4.098 1.00 0.00 H new ATOM 877 N SER A 257 47.623 22.896 8.356 1.00 0.00 N ATOM 878 CA SER A 257 46.876 23.985 7.737 1.00 0.00 C ATOM 879 C SER A 257 45.584 24.243 8.505 1.00 0.00 C ATOM 880 O SER A 257 44.651 24.854 7.984 1.00 0.00 O ATOM 881 CB SER A 257 46.550 23.640 6.284 1.00 0.00 C ATOM 882 OG SER A 257 47.749 23.296 5.603 1.00 0.00 O ATOM 0 H SER A 257 47.049 22.231 8.874 1.00 0.00 H new ATOM 0 HA SER A 257 47.490 24.885 7.762 1.00 0.00 H new ATOM 0 HB2 SER A 257 45.845 22.810 6.245 1.00 0.00 H new ATOM 0 HB3 SER A 257 46.071 24.488 5.795 1.00 0.00 H new ATOM 0 HG SER A 257 47.543 23.073 4.671 1.00 0.00 H new ATOM 888 N SER A 258 45.536 23.770 9.748 1.00 0.00 N ATOM 889 CA SER A 258 44.352 23.951 10.583 1.00 0.00 C ATOM 890 C SER A 258 44.345 25.341 11.210 1.00 0.00 C ATOM 891 O SER A 258 43.372 25.739 11.851 1.00 0.00 O ATOM 892 CB SER A 258 44.322 22.892 11.685 1.00 0.00 C ATOM 893 OG SER A 258 44.208 21.603 11.097 1.00 0.00 O ATOM 0 H SER A 258 46.298 23.262 10.197 1.00 0.00 H new ATOM 0 HA SER A 258 43.468 23.845 9.954 1.00 0.00 H new ATOM 0 HB2 SER A 258 45.229 22.951 12.286 1.00 0.00 H new ATOM 0 HB3 SER A 258 43.483 23.073 12.356 1.00 0.00 H new ATOM 0 HG SER A 258 44.190 20.922 11.802 1.00 0.00 H new ATOM 899 N VAL A 259 45.437 26.075 11.020 1.00 0.00 N ATOM 900 CA VAL A 259 45.547 27.420 11.569 1.00 0.00 C ATOM 901 C VAL A 259 44.505 28.333 10.944 1.00 0.00 C ATOM 902 O VAL A 259 43.868 29.128 11.636 1.00 0.00 O ATOM 903 CB VAL A 259 46.944 27.983 11.302 1.00 0.00 C ATOM 904 CG1 VAL A 259 47.980 27.158 12.065 1.00 0.00 C ATOM 905 CG2 VAL A 259 47.246 27.916 9.801 1.00 0.00 C ATOM 0 H VAL A 259 46.253 25.763 10.493 1.00 0.00 H new ATOM 0 HA VAL A 259 45.377 27.369 12.644 1.00 0.00 H new ATOM 0 HB VAL A 259 46.986 29.020 11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 259 48.976 27.559 11.875 1.00 0.00 H new ATOM 0 HG12 VAL A 259 47.768 27.205 13.133 1.00 0.00 H new ATOM 0 HG13 VAL A 259 47.937 26.121 11.732 1.00 0.00 H new ATOM 0 HG21 VAL A 259 48.242 28.317 9.612 1.00 0.00 H new ATOM 0 HG22 VAL A 259 47.203 26.879 9.467 1.00 0.00 H new ATOM 0 HG23 VAL A 259 46.508 28.504 9.255 1.00 0.00 H new ATOM 915 N VAL A 260 44.327 28.211 9.631 1.00 0.00 N ATOM 916 CA VAL A 260 43.346 29.030 8.912 1.00 0.00 C ATOM 917 C VAL A 260 42.397 28.138 8.126 1.00 0.00 C ATOM 918 O VAL A 260 42.828 27.237 7.408 1.00 0.00 O ATOM 919 CB VAL A 260 44.065 29.989 7.958 1.00 0.00 C ATOM 920 CG1 VAL A 260 43.036 30.669 7.047 1.00 0.00 C ATOM 921 CG2 VAL A 260 44.805 31.051 8.771 1.00 0.00 C ATOM 0 H VAL A 260 44.844 27.558 9.043 1.00 0.00 H new ATOM 0 HA VAL A 260 42.772 29.609 9.636 1.00 0.00 H new ATOM 0 HB VAL A 260 44.778 29.433 7.349 1.00 0.00 H new ATOM 0 HG11 VAL A 260 43.546 31.352 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 260 42.505 29.912 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 260 42.324 31.227 7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 260 45.318 31.735 8.095 1.00 0.00 H new ATOM 0 HG22 VAL A 260 44.091 31.608 9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 260 45.535 30.568 9.421 1.00 0.00 H new ATOM 931 N VAL A 261 41.100 28.405 8.258 1.00 0.00 N ATOM 932 CA VAL A 261 40.082 27.627 7.541 1.00 0.00 C ATOM 933 C VAL A 261 39.312 28.520 6.573 1.00 0.00 C ATOM 934 O VAL A 261 39.067 28.137 5.428 1.00 0.00 O ATOM 935 CB VAL A 261 39.116 26.996 8.541 1.00 0.00 C ATOM 936 CG1 VAL A 261 38.094 26.143 7.787 1.00 0.00 C ATOM 937 CG2 VAL A 261 39.898 26.111 9.514 1.00 0.00 C ATOM 0 H VAL A 261 40.727 29.148 8.849 1.00 0.00 H new ATOM 0 HA VAL A 261 40.579 26.841 6.972 1.00 0.00 H new ATOM 0 HB VAL A 261 38.600 27.780 9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 261 37.402 25.691 8.498 1.00 0.00 H new ATOM 0 HG12 VAL A 261 37.539 26.771 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 261 38.611 25.358 7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 261 39.210 25.660 10.229 1.00 0.00 H new ATOM 0 HG22 VAL A 261 40.412 25.326 8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 261 40.630 26.716 10.048 1.00 0.00 H new ATOM 947 N ALA A 262 38.934 29.706 7.038 1.00 0.00 N ATOM 948 CA ALA A 262 38.191 30.639 6.200 1.00 0.00 C ATOM 949 C ALA A 262 38.065 31.993 6.889 1.00 0.00 C ATOM 950 O ALA A 262 37.498 32.097 7.976 1.00 0.00 O ATOM 951 CB ALA A 262 36.796 30.081 5.908 1.00 0.00 C ATOM 0 H ALA A 262 39.128 30.041 7.982 1.00 0.00 H new ATOM 0 HA ALA A 262 38.733 30.769 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 262 36.247 30.784 5.281 1.00 0.00 H new ATOM 0 HB2 ALA A 262 36.887 29.127 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 262 36.259 29.935 6.845 1.00 0.00 H new ATOM 957 N ASN A 263 38.595 33.030 6.247 1.00 0.00 N ATOM 958 CA ASN A 263 38.536 34.375 6.808 1.00 0.00 C ATOM 959 C ASN A 263 39.050 35.397 5.801 1.00 0.00 C ATOM 960 O ASN A 263 38.393 36.412 5.630 1.00 0.00 O ATOM 961 CB ASN A 263 39.375 34.447 8.085 1.00 0.00 C ATOM 962 CG ASN A 263 39.368 35.868 8.635 1.00 0.00 C ATOM 963 OD1 ASN A 263 40.314 36.625 8.416 1.00 0.00 O ATOM 964 ND2 ASN A 263 38.350 36.279 9.342 1.00 0.00 N ATOM 965 OXT ASN A 263 40.091 35.153 5.216 1.00 0.00 O ATOM 0 H ASN A 263 39.067 32.966 5.345 1.00 0.00 H new ATOM 0 HA ASN A 263 37.497 34.604 7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 263 38.977 33.758 8.830 1.00 0.00 H new ATOM 0 HB3 ASN A 263 40.398 34.135 7.876 1.00 0.00 H new ATOM 0 HD21 ASN A 263 38.338 37.229 9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 263 37.567 35.650 9.522 1.00 0.00 H new TER 972 ASN A 263