USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 232 HIS HD1 : A 232 HIS ND1 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 270 HIS HD1 : A 270 HIS ND1 : A 400 ZNZN :(H bumps) USER MOD Set 1.1: A 239 TYR OH : rot 180:sc= -0.206 USER MOD Set 1.2: A 268 ASN : amide:sc= -3.49! C(o=-3.7!,f=-8.7!) USER MOD Set 2.1: A 247 HIS : no HE2:sc= -2.07 K(o=-2.4,f=-19!) USER MOD Set 2.2: A 276 LYS NZ :NH3+ -115:sc= -0.286 (180deg=-3.21!) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 225 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 MET CE :methyl -159:sc= -0.789 (180deg=-1.5!) USER MOD Single : A 235 LYS NZ :NH3+ -115:sc= -1.51! (180deg=-5.5!) USER MOD Single : A 237 TYR OH : rot 180:sc= 0 USER MOD Single : A 238 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.75) USER MOD Single : A 240 LYS NZ :NH3+ -166:sc=-0.00419 (180deg=-0.135) USER MOD Single : A 241 SER OG : rot 180:sc= 0 USER MOD Single : A 243 THR OG1 : rot 170:sc= 0 USER MOD Single : A 250 THR OG1 : rot -48:sc= 1.08 USER MOD Single : A 258 GLN : amide:sc= 0.249 K(o=0.25,f=-3.1!) USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl 164:sc= -0.122 (180deg=-0.68) USER MOD Single : A 271 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-5.9!) USER MOD Single : A 274 GLN : amide:sc= 0.338 K(o=0.34,f=-0.17) USER MOD Single : A 275 THR OG1 : rot -1:sc= 0.798 USER MOD Single : A 279 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.56) USER MOD Single : A 284 ASN : amide:sc= -0.0556 X(o=-0.056,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 0.592 -42.003 -13.526 1.00 0.00 N ATOM 2 CA GLY A 220 1.007 -40.901 -12.678 1.00 0.00 C ATOM 3 C GLY A 220 0.618 -39.552 -13.248 1.00 0.00 C ATOM 4 O GLY A 220 1.326 -38.998 -14.088 1.00 0.00 O ATOM 0 HA2 GLY A 220 0.559 -41.018 -11.691 1.00 0.00 H new ATOM 0 HA3 GLY A 220 2.088 -40.937 -12.544 1.00 0.00 H new ATOM 8 N SER A 221 -0.513 -39.022 -12.791 1.00 0.00 N ATOM 9 CA SER A 221 -0.998 -37.732 -13.265 1.00 0.00 C ATOM 10 C SER A 221 -1.300 -36.801 -12.095 1.00 0.00 C ATOM 11 O SER A 221 -2.337 -36.138 -12.065 1.00 0.00 O ATOM 12 CB SER A 221 -2.253 -37.918 -14.120 1.00 0.00 C ATOM 13 OG SER A 221 -2.212 -39.146 -14.826 1.00 0.00 O ATOM 0 H SER A 221 -1.110 -39.467 -12.093 1.00 0.00 H new ATOM 0 HA SER A 221 -0.215 -37.279 -13.874 1.00 0.00 H new ATOM 0 HB2 SER A 221 -3.138 -37.890 -13.484 1.00 0.00 H new ATOM 0 HB3 SER A 221 -2.342 -37.092 -14.826 1.00 0.00 H new ATOM 0 HG SER A 221 -3.026 -39.242 -15.363 1.00 0.00 H new ATOM 19 N SER A 222 -0.385 -36.757 -11.131 1.00 0.00 N ATOM 20 CA SER A 222 -0.554 -35.912 -9.955 1.00 0.00 C ATOM 21 C SER A 222 -0.480 -34.435 -10.333 1.00 0.00 C ATOM 22 O SER A 222 0.122 -34.070 -11.341 1.00 0.00 O ATOM 23 CB SER A 222 0.515 -36.236 -8.910 1.00 0.00 C ATOM 24 OG SER A 222 1.786 -36.400 -9.514 1.00 0.00 O ATOM 0 H SER A 222 0.480 -37.297 -11.142 1.00 0.00 H new ATOM 0 HA SER A 222 -1.538 -36.113 -9.532 1.00 0.00 H new ATOM 0 HB2 SER A 222 0.560 -35.435 -8.172 1.00 0.00 H new ATOM 0 HB3 SER A 222 0.242 -37.147 -8.377 1.00 0.00 H new ATOM 0 HG SER A 222 2.452 -36.605 -8.825 1.00 0.00 H new ATOM 30 N GLY A 223 -1.099 -33.590 -9.514 1.00 0.00 N ATOM 31 CA GLY A 223 -1.093 -32.163 -9.778 1.00 0.00 C ATOM 32 C GLY A 223 -1.153 -31.338 -8.508 1.00 0.00 C ATOM 33 O GLY A 223 -1.032 -31.873 -7.406 1.00 0.00 O ATOM 0 H GLY A 223 -1.604 -33.868 -8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -0.192 -31.903 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -1.943 -31.910 -10.412 1.00 0.00 H new ATOM 37 N SER A 224 -1.339 -30.031 -8.661 1.00 0.00 N ATOM 38 CA SER A 224 -1.410 -29.129 -7.517 1.00 0.00 C ATOM 39 C SER A 224 -2.680 -28.285 -7.568 1.00 0.00 C ATOM 40 O SER A 224 -3.518 -28.459 -8.452 1.00 0.00 O ATOM 41 CB SER A 224 -0.180 -28.219 -7.482 1.00 0.00 C ATOM 42 OG SER A 224 0.954 -28.912 -6.991 1.00 0.00 O ATOM 0 H SER A 224 -1.443 -29.573 -9.566 1.00 0.00 H new ATOM 0 HA SER A 224 -1.433 -29.733 -6.610 1.00 0.00 H new ATOM 0 HB2 SER A 224 0.026 -27.842 -8.484 1.00 0.00 H new ATOM 0 HB3 SER A 224 -0.382 -27.353 -6.851 1.00 0.00 H new ATOM 0 HG SER A 224 1.727 -28.309 -6.980 1.00 0.00 H new ATOM 48 N SER A 225 -2.814 -27.371 -6.612 1.00 0.00 N ATOM 49 CA SER A 225 -3.983 -26.502 -6.544 1.00 0.00 C ATOM 50 C SER A 225 -3.641 -25.185 -5.854 1.00 0.00 C ATOM 51 O SER A 225 -2.866 -25.154 -4.900 1.00 0.00 O ATOM 52 CB SER A 225 -5.122 -27.201 -5.799 1.00 0.00 C ATOM 53 OG SER A 225 -6.280 -26.386 -5.757 1.00 0.00 O ATOM 0 H SER A 225 -2.128 -27.213 -5.874 1.00 0.00 H new ATOM 0 HA SER A 225 -4.304 -26.286 -7.563 1.00 0.00 H new ATOM 0 HB2 SER A 225 -5.356 -28.146 -6.290 1.00 0.00 H new ATOM 0 HB3 SER A 225 -4.804 -27.439 -4.784 1.00 0.00 H new ATOM 0 HG SER A 225 -6.994 -26.856 -5.277 1.00 0.00 H new ATOM 59 N GLY A 226 -4.228 -24.097 -6.345 1.00 0.00 N ATOM 60 CA GLY A 226 -3.974 -22.792 -5.765 1.00 0.00 C ATOM 61 C GLY A 226 -4.437 -21.659 -6.660 1.00 0.00 C ATOM 62 O GLY A 226 -5.252 -21.862 -7.560 1.00 0.00 O ATOM 0 H GLY A 226 -4.875 -24.097 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 226 -4.481 -22.721 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 226 -2.907 -22.685 -5.572 1.00 0.00 H new ATOM 66 N LYS A 227 -3.917 -20.462 -6.413 1.00 0.00 N ATOM 67 CA LYS A 227 -4.281 -19.291 -7.203 1.00 0.00 C ATOM 68 C LYS A 227 -3.067 -18.401 -7.448 1.00 0.00 C ATOM 69 O LYS A 227 -2.062 -18.499 -6.743 1.00 0.00 O ATOM 70 CB LYS A 227 -5.377 -18.493 -6.493 1.00 0.00 C ATOM 71 CG LYS A 227 -6.757 -19.117 -6.611 1.00 0.00 C ATOM 72 CD LYS A 227 -7.478 -18.644 -7.862 1.00 0.00 C ATOM 73 CE LYS A 227 -8.977 -18.880 -7.765 1.00 0.00 C ATOM 74 NZ LYS A 227 -9.357 -20.238 -8.243 1.00 0.00 N ATOM 0 H LYS A 227 -3.242 -20.277 -5.672 1.00 0.00 H new ATOM 0 HA LYS A 227 -4.657 -19.636 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 227 -5.120 -18.397 -5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 227 -5.407 -17.485 -6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 227 -6.666 -20.203 -6.631 1.00 0.00 H new ATOM 0 HG3 LYS A 227 -7.348 -18.863 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 227 -7.285 -17.582 -8.015 1.00 0.00 H new ATOM 0 HD3 LYS A 227 -7.082 -19.168 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 227 -9.298 -18.756 -6.731 1.00 0.00 H new ATOM 0 HE3 LYS A 227 -9.502 -18.128 -8.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 -10.387 -20.360 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 -9.074 -20.348 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 -8.876 -20.957 -7.665 1.00 0.00 H new ATOM 88 N ILE A 228 -3.167 -17.534 -8.449 1.00 0.00 N ATOM 89 CA ILE A 228 -2.078 -16.625 -8.784 1.00 0.00 C ATOM 90 C ILE A 228 -2.536 -15.172 -8.723 1.00 0.00 C ATOM 91 O ILE A 228 -2.992 -14.611 -9.720 1.00 0.00 O ATOM 92 CB ILE A 228 -1.515 -16.915 -10.188 1.00 0.00 C ATOM 93 CG1 ILE A 228 -2.636 -17.362 -11.129 1.00 0.00 C ATOM 94 CG2 ILE A 228 -0.425 -17.975 -10.113 1.00 0.00 C ATOM 95 CD1 ILE A 228 -2.268 -17.268 -12.593 1.00 0.00 C ATOM 0 H ILE A 228 -3.991 -17.442 -9.043 1.00 0.00 H new ATOM 0 HA ILE A 228 -1.293 -16.787 -8.045 1.00 0.00 H new ATOM 0 HB ILE A 228 -1.077 -15.999 -10.584 1.00 0.00 H new ATOM 0 HG12 ILE A 228 -2.906 -18.392 -10.896 1.00 0.00 H new ATOM 0 HG13 ILE A 228 -3.520 -16.751 -10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 228 -0.037 -18.169 -11.113 1.00 0.00 H new ATOM 0 HG22 ILE A 228 0.383 -17.621 -9.473 1.00 0.00 H new ATOM 0 HG23 ILE A 228 -0.840 -18.895 -9.700 1.00 0.00 H new ATOM 0 HD11 ILE A 228 -3.109 -17.600 -13.202 1.00 0.00 H new ATOM 0 HD12 ILE A 228 -2.026 -16.235 -12.842 1.00 0.00 H new ATOM 0 HD13 ILE A 228 -1.403 -17.901 -12.792 1.00 0.00 H new ATOM 107 N ASP A 229 -2.409 -14.567 -7.547 1.00 0.00 N ATOM 108 CA ASP A 229 -2.807 -13.177 -7.356 1.00 0.00 C ATOM 109 C ASP A 229 -1.632 -12.236 -7.605 1.00 0.00 C ATOM 110 O ASP A 229 -0.686 -12.189 -6.820 1.00 0.00 O ATOM 111 CB ASP A 229 -3.352 -12.970 -5.942 1.00 0.00 C ATOM 112 CG ASP A 229 -4.151 -14.160 -5.449 1.00 0.00 C ATOM 113 OD1 ASP A 229 -4.946 -14.710 -6.240 1.00 0.00 O ATOM 114 OD2 ASP A 229 -3.981 -14.543 -4.273 1.00 0.00 O ATOM 0 H ASP A 229 -2.034 -15.017 -6.712 1.00 0.00 H new ATOM 0 HA ASP A 229 -3.592 -12.947 -8.077 1.00 0.00 H new ATOM 0 HB2 ASP A 229 -2.522 -12.785 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 229 -3.982 -12.081 -5.925 1.00 0.00 H new ATOM 119 N MET A 230 -1.701 -11.490 -8.702 1.00 0.00 N ATOM 120 CA MET A 230 -0.642 -10.550 -9.054 1.00 0.00 C ATOM 121 C MET A 230 -1.057 -9.118 -8.731 1.00 0.00 C ATOM 122 O MET A 230 -1.750 -8.457 -9.505 1.00 0.00 O ATOM 123 CB MET A 230 -0.297 -10.670 -10.540 1.00 0.00 C ATOM 124 CG MET A 230 0.467 -11.938 -10.885 1.00 0.00 C ATOM 125 SD MET A 230 0.178 -12.483 -12.579 1.00 0.00 S ATOM 126 CE MET A 230 0.036 -14.253 -12.346 1.00 0.00 C ATOM 0 H MET A 230 -2.478 -11.517 -9.362 1.00 0.00 H new ATOM 0 HA MET A 230 0.240 -10.797 -8.463 1.00 0.00 H new ATOM 0 HB2 MET A 230 -1.218 -10.641 -11.122 1.00 0.00 H new ATOM 0 HB3 MET A 230 0.296 -9.805 -10.838 1.00 0.00 H new ATOM 0 HG2 MET A 230 1.533 -11.766 -10.740 1.00 0.00 H new ATOM 0 HG3 MET A 230 0.176 -12.732 -10.197 1.00 0.00 H new ATOM 0 HE1 MET A 230 0.228 -14.761 -13.291 1.00 0.00 H new ATOM 0 HE2 MET A 230 0.763 -14.582 -11.603 1.00 0.00 H new ATOM 0 HE3 MET A 230 -0.970 -14.495 -12.002 1.00 0.00 H new ATOM 136 N PRO A 231 -0.625 -8.625 -7.561 1.00 0.00 N ATOM 137 CA PRO A 231 -0.939 -7.267 -7.109 1.00 0.00 C ATOM 138 C PRO A 231 -0.224 -6.202 -7.933 1.00 0.00 C ATOM 139 O PRO A 231 0.716 -6.500 -8.671 1.00 0.00 O ATOM 140 CB PRO A 231 -0.438 -7.249 -5.663 1.00 0.00 C ATOM 141 CG PRO A 231 0.628 -8.289 -5.618 1.00 0.00 C ATOM 142 CD PRO A 231 0.205 -9.357 -6.589 1.00 0.00 C ATOM 0 HA PRO A 231 -2.000 -7.040 -7.210 1.00 0.00 H new ATOM 0 HB2 PRO A 231 -0.046 -6.269 -5.392 1.00 0.00 H new ATOM 0 HB3 PRO A 231 -1.242 -7.476 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 231 1.595 -7.869 -5.896 1.00 0.00 H new ATOM 0 HG3 PRO A 231 0.734 -8.696 -4.612 1.00 0.00 H new ATOM 0 HD2 PRO A 231 1.064 -9.828 -7.068 1.00 0.00 H new ATOM 0 HD3 PRO A 231 -0.358 -10.149 -6.095 1.00 0.00 H new ATOM 150 N HIS A 232 -0.675 -4.958 -7.804 1.00 0.00 N ATOM 151 CA HIS A 232 -0.077 -3.848 -8.537 1.00 0.00 C ATOM 152 C HIS A 232 1.197 -3.367 -7.850 1.00 0.00 C ATOM 153 O HIS A 232 1.157 -2.869 -6.724 1.00 0.00 O ATOM 154 CB HIS A 232 -1.072 -2.693 -8.657 1.00 0.00 C ATOM 155 CG HIS A 232 -2.325 -3.057 -9.392 1.00 0.00 C ATOM 156 ND1 HIS A 232 -2.360 -3.292 -10.750 1.00 0.00 N ATOM 157 CD2 HIS A 232 -3.594 -3.226 -8.951 1.00 0.00 C ATOM 158 CE1 HIS A 232 -3.595 -3.589 -11.113 1.00 0.00 C ATOM 159 NE2 HIS A 232 -4.363 -3.557 -10.039 1.00 0.00 N ATOM 0 H HIS A 232 -1.452 -4.694 -7.199 1.00 0.00 H new ATOM 0 HA HIS A 232 0.180 -4.201 -9.535 1.00 0.00 H new ATOM 0 HB2 HIS A 232 -1.334 -2.345 -7.658 1.00 0.00 H new ATOM 0 HB3 HIS A 232 -0.589 -1.860 -9.168 1.00 0.00 H new ATOM 0 HD2 HIS A 232 -3.937 -3.120 -7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 232 -3.921 -3.819 -12.117 1.00 0.00 H new ATOM 0 HE2 HIS A 232 -5.365 -3.747 -10.021 1.00 0.00 H new ATOM 167 N ARG A 233 2.327 -3.520 -8.534 1.00 0.00 N ATOM 168 CA ARG A 233 3.613 -3.103 -7.988 1.00 0.00 C ATOM 169 C ARG A 233 3.768 -1.587 -8.060 1.00 0.00 C ATOM 170 O ARG A 233 4.648 -1.075 -8.752 1.00 0.00 O ATOM 171 CB ARG A 233 4.756 -3.780 -8.747 1.00 0.00 C ATOM 172 CG ARG A 233 5.060 -5.188 -8.260 1.00 0.00 C ATOM 173 CD ARG A 233 4.205 -6.222 -8.976 1.00 0.00 C ATOM 174 NE ARG A 233 4.620 -7.587 -8.663 1.00 0.00 N ATOM 175 CZ ARG A 233 5.605 -8.217 -9.292 1.00 0.00 C ATOM 176 NH1 ARG A 233 6.274 -7.608 -10.262 1.00 0.00 N ATOM 177 NH2 ARG A 233 5.925 -9.459 -8.951 1.00 0.00 N ATOM 0 H ARG A 233 2.378 -3.930 -9.467 1.00 0.00 H new ATOM 0 HA ARG A 233 3.651 -3.405 -6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 233 4.505 -3.817 -9.807 1.00 0.00 H new ATOM 0 HB3 ARG A 233 5.655 -3.170 -8.653 1.00 0.00 H new ATOM 0 HG2 ARG A 233 6.115 -5.411 -8.423 1.00 0.00 H new ATOM 0 HG3 ARG A 233 4.883 -5.249 -7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 233 3.161 -6.087 -8.694 1.00 0.00 H new ATOM 0 HD3 ARG A 233 4.268 -6.062 -10.052 1.00 0.00 H new ATOM 0 HE ARG A 233 4.126 -8.083 -7.921 1.00 0.00 H new ATOM 0 HH11 ARG A 233 6.032 -6.653 -10.527 1.00 0.00 H new ATOM 0 HH12 ARG A 233 7.030 -8.095 -10.743 1.00 0.00 H new ATOM 0 HH21 ARG A 233 5.414 -9.931 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 233 6.682 -9.942 -9.435 1.00 0.00 H new ATOM 191 N PHE A 234 2.907 -0.875 -7.341 1.00 0.00 N ATOM 192 CA PHE A 234 2.948 0.583 -7.324 1.00 0.00 C ATOM 193 C PHE A 234 4.297 1.084 -6.816 1.00 0.00 C ATOM 194 O PHE A 234 4.970 0.409 -6.037 1.00 0.00 O ATOM 195 CB PHE A 234 1.823 1.135 -6.446 1.00 0.00 C ATOM 196 CG PHE A 234 0.451 0.899 -7.011 1.00 0.00 C ATOM 197 CD1 PHE A 234 0.127 1.336 -8.285 1.00 0.00 C ATOM 198 CD2 PHE A 234 -0.515 0.241 -6.267 1.00 0.00 C ATOM 199 CE1 PHE A 234 -1.134 1.120 -8.808 1.00 0.00 C ATOM 200 CE2 PHE A 234 -1.777 0.021 -6.784 1.00 0.00 C ATOM 201 CZ PHE A 234 -2.088 0.462 -8.056 1.00 0.00 C ATOM 0 H PHE A 234 2.173 -1.283 -6.763 1.00 0.00 H new ATOM 0 HA PHE A 234 2.810 0.937 -8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 234 1.885 0.676 -5.459 1.00 0.00 H new ATOM 0 HB3 PHE A 234 1.972 2.206 -6.309 1.00 0.00 H new ATOM 0 HD1 PHE A 234 0.869 1.852 -8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 234 -0.279 -0.104 -5.271 1.00 0.00 H new ATOM 0 HE1 PHE A 234 -1.373 1.465 -9.803 1.00 0.00 H new ATOM 0 HE2 PHE A 234 -2.520 -0.495 -6.194 1.00 0.00 H new ATOM 0 HZ PHE A 234 -3.075 0.293 -8.461 1.00 0.00 H new ATOM 211 N LYS A 235 4.686 2.273 -7.263 1.00 0.00 N ATOM 212 CA LYS A 235 5.954 2.867 -6.856 1.00 0.00 C ATOM 213 C LYS A 235 5.852 4.388 -6.810 1.00 0.00 C ATOM 214 O LYS A 235 5.594 5.034 -7.825 1.00 0.00 O ATOM 215 CB LYS A 235 7.069 2.448 -7.816 1.00 0.00 C ATOM 216 CG LYS A 235 7.764 1.158 -7.417 1.00 0.00 C ATOM 217 CD LYS A 235 8.949 1.422 -6.504 1.00 0.00 C ATOM 218 CE LYS A 235 8.536 1.424 -5.040 1.00 0.00 C ATOM 219 NZ LYS A 235 8.103 2.775 -4.587 1.00 0.00 N ATOM 0 H LYS A 235 4.141 2.845 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 235 6.191 2.506 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 235 6.651 2.331 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 235 7.808 3.247 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 235 7.054 0.502 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 235 8.102 0.634 -8.311 1.00 0.00 H new ATOM 0 HD2 LYS A 235 9.712 0.660 -6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 235 9.398 2.382 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 235 7.723 0.713 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 235 9.371 1.086 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 235 8.765 3.128 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 235 8.093 3.426 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 235 7.148 2.715 -4.180 1.00 0.00 H new ATOM 233 N VAL A 236 6.057 4.955 -5.625 1.00 0.00 N ATOM 234 CA VAL A 236 5.991 6.400 -5.447 1.00 0.00 C ATOM 235 C VAL A 236 6.769 7.124 -6.540 1.00 0.00 C ATOM 236 O VAL A 236 7.947 6.844 -6.767 1.00 0.00 O ATOM 237 CB VAL A 236 6.543 6.823 -4.073 1.00 0.00 C ATOM 238 CG1 VAL A 236 6.907 8.300 -4.074 1.00 0.00 C ATOM 239 CG2 VAL A 236 5.535 6.514 -2.976 1.00 0.00 C ATOM 0 H VAL A 236 6.270 4.435 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 236 4.939 6.678 -5.508 1.00 0.00 H new ATOM 0 HB VAL A 236 7.449 6.251 -3.874 1.00 0.00 H new ATOM 0 HG11 VAL A 236 7.295 8.580 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 236 7.667 8.487 -4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 236 6.020 8.893 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 236 5.942 6.819 -2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 236 4.610 7.057 -3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 236 5.330 5.443 -2.961 1.00 0.00 H new ATOM 249 N TYR A 237 6.105 8.057 -7.213 1.00 0.00 N ATOM 250 CA TYR A 237 6.734 8.821 -8.284 1.00 0.00 C ATOM 251 C TYR A 237 6.276 10.276 -8.256 1.00 0.00 C ATOM 252 O TYR A 237 5.150 10.577 -7.862 1.00 0.00 O ATOM 253 CB TYR A 237 6.408 8.198 -9.642 1.00 0.00 C ATOM 254 CG TYR A 237 6.891 9.019 -10.816 1.00 0.00 C ATOM 255 CD1 TYR A 237 8.237 9.331 -10.965 1.00 0.00 C ATOM 256 CD2 TYR A 237 6.001 9.482 -11.778 1.00 0.00 C ATOM 257 CE1 TYR A 237 8.682 10.081 -12.036 1.00 0.00 C ATOM 258 CE2 TYR A 237 6.438 10.232 -12.853 1.00 0.00 C ATOM 259 CZ TYR A 237 7.779 10.529 -12.977 1.00 0.00 C ATOM 260 OH TYR A 237 8.219 11.276 -14.046 1.00 0.00 O ATOM 0 H TYR A 237 5.131 8.303 -7.036 1.00 0.00 H new ATOM 0 HA TYR A 237 7.813 8.795 -8.130 1.00 0.00 H new ATOM 0 HB2 TYR A 237 6.856 7.206 -9.694 1.00 0.00 H new ATOM 0 HB3 TYR A 237 5.329 8.065 -9.722 1.00 0.00 H new ATOM 0 HD1 TYR A 237 8.947 8.981 -10.231 1.00 0.00 H new ATOM 0 HD2 TYR A 237 4.950 9.252 -11.684 1.00 0.00 H new ATOM 0 HE1 TYR A 237 9.732 10.315 -12.136 1.00 0.00 H new ATOM 0 HE2 TYR A 237 5.733 10.584 -13.592 1.00 0.00 H new ATOM 0 HH TYR A 237 7.457 11.511 -14.616 1.00 0.00 H new ATOM 270 N ASN A 238 7.159 11.175 -8.679 1.00 0.00 N ATOM 271 CA ASN A 238 6.846 12.600 -8.704 1.00 0.00 C ATOM 272 C ASN A 238 6.127 12.977 -9.996 1.00 0.00 C ATOM 273 O ASN A 238 6.533 12.572 -11.085 1.00 0.00 O ATOM 274 CB ASN A 238 8.126 13.426 -8.560 1.00 0.00 C ATOM 275 CG ASN A 238 8.987 13.381 -9.807 1.00 0.00 C ATOM 276 OD1 ASN A 238 8.777 14.146 -10.748 1.00 0.00 O ATOM 277 ND2 ASN A 238 9.963 12.480 -9.819 1.00 0.00 N ATOM 0 H ASN A 238 8.096 10.943 -9.009 1.00 0.00 H new ATOM 0 HA ASN A 238 6.185 12.816 -7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 238 7.864 14.461 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 238 8.701 13.055 -7.711 1.00 0.00 H new ATOM 0 HD21 ASN A 238 10.575 12.402 -10.631 1.00 0.00 H new ATOM 0 HD22 ASN A 238 10.100 11.866 -9.016 1.00 0.00 H new ATOM 284 N TYR A 239 5.058 13.754 -9.865 1.00 0.00 N ATOM 285 CA TYR A 239 4.281 14.185 -11.021 1.00 0.00 C ATOM 286 C TYR A 239 4.227 15.707 -11.105 1.00 0.00 C ATOM 287 O TYR A 239 3.670 16.370 -10.230 1.00 0.00 O ATOM 288 CB TYR A 239 2.863 13.616 -10.949 1.00 0.00 C ATOM 289 CG TYR A 239 2.736 12.228 -11.535 1.00 0.00 C ATOM 290 CD1 TYR A 239 2.799 12.023 -12.908 1.00 0.00 C ATOM 291 CD2 TYR A 239 2.555 11.121 -10.715 1.00 0.00 C ATOM 292 CE1 TYR A 239 2.683 10.756 -13.447 1.00 0.00 C ATOM 293 CE2 TYR A 239 2.440 9.850 -11.245 1.00 0.00 C ATOM 294 CZ TYR A 239 2.504 9.673 -12.612 1.00 0.00 C ATOM 295 OH TYR A 239 2.390 8.410 -13.145 1.00 0.00 O ATOM 0 H TYR A 239 4.710 14.098 -8.970 1.00 0.00 H new ATOM 0 HA TYR A 239 4.772 13.808 -11.918 1.00 0.00 H new ATOM 0 HB2 TYR A 239 2.543 13.592 -9.907 1.00 0.00 H new ATOM 0 HB3 TYR A 239 2.184 14.287 -11.476 1.00 0.00 H new ATOM 0 HD1 TYR A 239 2.941 12.868 -13.565 1.00 0.00 H new ATOM 0 HD2 TYR A 239 2.503 11.256 -9.645 1.00 0.00 H new ATOM 0 HE1 TYR A 239 2.732 10.615 -14.517 1.00 0.00 H new ATOM 0 HE2 TYR A 239 2.301 9.000 -10.593 1.00 0.00 H new ATOM 0 HH TYR A 239 2.270 7.759 -12.422 1.00 0.00 H new ATOM 305 N LYS A 240 4.810 16.255 -12.166 1.00 0.00 N ATOM 306 CA LYS A 240 4.828 17.699 -12.368 1.00 0.00 C ATOM 307 C LYS A 240 3.564 18.164 -13.084 1.00 0.00 C ATOM 308 O LYS A 240 3.282 19.361 -13.150 1.00 0.00 O ATOM 309 CB LYS A 240 6.063 18.106 -13.175 1.00 0.00 C ATOM 310 CG LYS A 240 6.305 19.605 -13.203 1.00 0.00 C ATOM 311 CD LYS A 240 7.713 19.935 -13.669 1.00 0.00 C ATOM 312 CE LYS A 240 8.062 21.391 -13.404 1.00 0.00 C ATOM 313 NZ LYS A 240 7.022 22.316 -13.936 1.00 0.00 N ATOM 0 H LYS A 240 5.276 15.721 -12.899 1.00 0.00 H new ATOM 0 HA LYS A 240 4.867 18.177 -11.389 1.00 0.00 H new ATOM 0 HB2 LYS A 240 6.940 17.613 -12.755 1.00 0.00 H new ATOM 0 HB3 LYS A 240 5.953 17.745 -14.198 1.00 0.00 H new ATOM 0 HG2 LYS A 240 5.581 20.079 -13.866 1.00 0.00 H new ATOM 0 HG3 LYS A 240 6.144 20.019 -12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 240 8.427 19.290 -13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 240 7.802 19.727 -14.735 1.00 0.00 H new ATOM 0 HE2 LYS A 240 8.174 21.548 -12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 240 9.023 21.623 -13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 7.396 23.286 -13.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 6.763 22.028 -14.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 6.180 22.280 -13.326 1.00 0.00 H new ATOM 327 N SER A 241 2.807 17.211 -13.618 1.00 0.00 N ATOM 328 CA SER A 241 1.574 17.524 -14.331 1.00 0.00 C ATOM 329 C SER A 241 0.362 16.971 -13.588 1.00 0.00 C ATOM 330 O SER A 241 0.445 15.979 -12.864 1.00 0.00 O ATOM 331 CB SER A 241 1.622 16.953 -15.749 1.00 0.00 C ATOM 332 OG SER A 241 2.397 15.768 -15.797 1.00 0.00 O ATOM 0 H SER A 241 3.026 16.216 -13.570 1.00 0.00 H new ATOM 0 HA SER A 241 1.480 18.609 -14.387 1.00 0.00 H new ATOM 0 HB2 SER A 241 0.610 16.743 -16.094 1.00 0.00 H new ATOM 0 HB3 SER A 241 2.043 17.694 -16.428 1.00 0.00 H new ATOM 0 HG SER A 241 2.410 15.423 -16.714 1.00 0.00 H new ATOM 338 N PRO A 242 -0.794 17.627 -13.772 1.00 0.00 N ATOM 339 CA PRO A 242 -2.046 17.219 -13.128 1.00 0.00 C ATOM 340 C PRO A 242 -2.588 15.910 -13.691 1.00 0.00 C ATOM 341 O PRO A 242 -3.070 15.860 -14.824 1.00 0.00 O ATOM 342 CB PRO A 242 -3.000 18.373 -13.447 1.00 0.00 C ATOM 343 CG PRO A 242 -2.459 18.978 -14.696 1.00 0.00 C ATOM 344 CD PRO A 242 -0.966 18.817 -14.621 1.00 0.00 C ATOM 0 HA PRO A 242 -1.915 17.037 -12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 242 -4.020 18.016 -13.590 1.00 0.00 H new ATOM 0 HB3 PRO A 242 -3.028 19.100 -12.635 1.00 0.00 H new ATOM 0 HG2 PRO A 242 -2.862 18.479 -15.577 1.00 0.00 H new ATOM 0 HG3 PRO A 242 -2.735 20.030 -14.771 1.00 0.00 H new ATOM 0 HD2 PRO A 242 -0.527 18.673 -15.608 1.00 0.00 H new ATOM 0 HD3 PRO A 242 -0.489 19.694 -14.185 1.00 0.00 H new ATOM 352 N THR A 243 -2.506 14.849 -12.894 1.00 0.00 N ATOM 353 CA THR A 243 -2.987 13.539 -13.313 1.00 0.00 C ATOM 354 C THR A 243 -4.312 13.199 -12.641 1.00 0.00 C ATOM 355 O THR A 243 -4.563 13.596 -11.503 1.00 0.00 O ATOM 356 CB THR A 243 -1.963 12.435 -12.990 1.00 0.00 C ATOM 357 OG1 THR A 243 -0.632 12.945 -13.128 1.00 0.00 O ATOM 358 CG2 THR A 243 -2.150 11.237 -13.909 1.00 0.00 C ATOM 0 H THR A 243 -2.111 14.872 -11.954 1.00 0.00 H new ATOM 0 HA THR A 243 -3.132 13.586 -14.392 1.00 0.00 H new ATOM 0 HB THR A 243 -2.123 12.112 -11.961 1.00 0.00 H new ATOM 0 HG1 THR A 243 0.007 12.294 -12.769 1.00 0.00 H new ATOM 0 HG21 THR A 243 -1.415 10.471 -13.662 1.00 0.00 H new ATOM 0 HG22 THR A 243 -3.154 10.833 -13.780 1.00 0.00 H new ATOM 0 HG23 THR A 243 -2.015 11.548 -14.945 1.00 0.00 H new ATOM 366 N PHE A 244 -5.159 12.461 -13.352 1.00 0.00 N ATOM 367 CA PHE A 244 -6.460 12.068 -12.824 1.00 0.00 C ATOM 368 C PHE A 244 -6.449 10.607 -12.384 1.00 0.00 C ATOM 369 O PHE A 244 -6.037 9.723 -13.136 1.00 0.00 O ATOM 370 CB PHE A 244 -7.548 12.287 -13.877 1.00 0.00 C ATOM 371 CG PHE A 244 -8.102 13.683 -13.884 1.00 0.00 C ATOM 372 CD1 PHE A 244 -9.173 14.022 -13.073 1.00 0.00 C ATOM 373 CD2 PHE A 244 -7.553 14.656 -14.703 1.00 0.00 C ATOM 374 CE1 PHE A 244 -9.685 15.306 -13.077 1.00 0.00 C ATOM 375 CE2 PHE A 244 -8.061 15.942 -14.711 1.00 0.00 C ATOM 376 CZ PHE A 244 -9.129 16.267 -13.898 1.00 0.00 C ATOM 0 H PHE A 244 -4.967 12.123 -14.295 1.00 0.00 H new ATOM 0 HA PHE A 244 -6.675 12.689 -11.955 1.00 0.00 H new ATOM 0 HB2 PHE A 244 -7.140 12.062 -14.862 1.00 0.00 H new ATOM 0 HB3 PHE A 244 -8.361 11.583 -13.700 1.00 0.00 H new ATOM 0 HD1 PHE A 244 -9.613 13.274 -12.430 1.00 0.00 H new ATOM 0 HD2 PHE A 244 -6.719 14.407 -15.342 1.00 0.00 H new ATOM 0 HE1 PHE A 244 -10.519 15.557 -12.439 1.00 0.00 H new ATOM 0 HE2 PHE A 244 -7.623 16.692 -15.353 1.00 0.00 H new ATOM 0 HZ PHE A 244 -9.528 17.270 -13.904 1.00 0.00 H new ATOM 386 N CYS A 245 -6.905 10.360 -11.160 1.00 0.00 N ATOM 387 CA CYS A 245 -6.947 9.008 -10.618 1.00 0.00 C ATOM 388 C CYS A 245 -7.915 8.134 -11.410 1.00 0.00 C ATOM 389 O CYS A 245 -9.087 8.475 -11.568 1.00 0.00 O ATOM 390 CB CYS A 245 -7.361 9.040 -9.145 1.00 0.00 C ATOM 391 SG CYS A 245 -6.728 7.641 -8.164 1.00 0.00 S ATOM 0 H CYS A 245 -7.251 11.080 -10.525 1.00 0.00 H new ATOM 0 HA CYS A 245 -5.948 8.579 -10.699 1.00 0.00 H new ATOM 0 HB2 CYS A 245 -7.009 9.971 -8.700 1.00 0.00 H new ATOM 0 HB3 CYS A 245 -8.449 9.049 -9.085 1.00 0.00 H new ATOM 396 N GLU A 246 -7.416 7.006 -11.905 1.00 0.00 N ATOM 397 CA GLU A 246 -8.236 6.084 -12.682 1.00 0.00 C ATOM 398 C GLU A 246 -9.125 5.246 -11.768 1.00 0.00 C ATOM 399 O GLU A 246 -9.771 4.296 -12.212 1.00 0.00 O ATOM 400 CB GLU A 246 -7.351 5.169 -13.530 1.00 0.00 C ATOM 401 CG GLU A 246 -7.013 5.743 -14.895 1.00 0.00 C ATOM 402 CD GLU A 246 -8.156 5.612 -15.883 1.00 0.00 C ATOM 403 OE1 GLU A 246 -8.230 4.572 -16.571 1.00 0.00 O ATOM 404 OE2 GLU A 246 -8.977 6.549 -15.967 1.00 0.00 O ATOM 0 H GLU A 246 -6.448 6.709 -11.782 1.00 0.00 H new ATOM 0 HA GLU A 246 -8.874 6.672 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 246 -6.425 4.970 -12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 246 -7.855 4.211 -13.663 1.00 0.00 H new ATOM 0 HG2 GLU A 246 -6.750 6.795 -14.787 1.00 0.00 H new ATOM 0 HG3 GLU A 246 -6.135 5.234 -15.292 1.00 0.00 H new ATOM 411 N HIS A 247 -9.153 5.604 -10.488 1.00 0.00 N ATOM 412 CA HIS A 247 -9.963 4.885 -9.511 1.00 0.00 C ATOM 413 C HIS A 247 -11.024 5.800 -8.906 1.00 0.00 C ATOM 414 O HIS A 247 -12.212 5.667 -9.198 1.00 0.00 O ATOM 415 CB HIS A 247 -9.076 4.312 -8.405 1.00 0.00 C ATOM 416 CG HIS A 247 -9.827 3.499 -7.395 1.00 0.00 C ATOM 417 ND1 HIS A 247 -9.732 2.126 -7.314 1.00 0.00 N ATOM 418 CD2 HIS A 247 -10.687 3.873 -6.420 1.00 0.00 C ATOM 419 CE1 HIS A 247 -10.503 1.691 -6.334 1.00 0.00 C ATOM 420 NE2 HIS A 247 -11.094 2.731 -5.775 1.00 0.00 N ATOM 0 H HIS A 247 -8.625 6.387 -10.103 1.00 0.00 H new ATOM 0 HA HIS A 247 -10.466 4.065 -10.025 1.00 0.00 H new ATOM 0 HB2 HIS A 247 -8.302 3.691 -8.856 1.00 0.00 H new ATOM 0 HB3 HIS A 247 -8.570 5.132 -7.895 1.00 0.00 H new ATOM 0 HD1 HIS A 247 -9.156 1.538 -7.917 1.00 0.00 H new ATOM 0 HD2 HIS A 247 -10.996 4.882 -6.191 1.00 0.00 H new ATOM 0 HE1 HIS A 247 -10.629 0.660 -6.040 1.00 0.00 H new ATOM 428 N CYS A 248 -10.586 6.727 -8.061 1.00 0.00 N ATOM 429 CA CYS A 248 -11.497 7.663 -7.413 1.00 0.00 C ATOM 430 C CYS A 248 -11.953 8.743 -8.391 1.00 0.00 C ATOM 431 O CYS A 248 -13.026 9.323 -8.235 1.00 0.00 O ATOM 432 CB CYS A 248 -10.822 8.309 -6.202 1.00 0.00 C ATOM 433 SG CYS A 248 -9.486 9.472 -6.627 1.00 0.00 S ATOM 0 H CYS A 248 -9.605 6.850 -7.809 1.00 0.00 H new ATOM 0 HA CYS A 248 -12.372 7.107 -7.078 1.00 0.00 H new ATOM 0 HB2 CYS A 248 -11.576 8.837 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 248 -10.416 7.524 -5.564 1.00 0.00 H new ATOM 438 N GLY A 249 -11.127 9.007 -9.399 1.00 0.00 N ATOM 439 CA GLY A 249 -11.462 10.016 -10.387 1.00 0.00 C ATOM 440 C GLY A 249 -11.246 11.425 -9.873 1.00 0.00 C ATOM 441 O GLY A 249 -12.075 12.309 -10.092 1.00 0.00 O ATOM 0 H GLY A 249 -10.232 8.540 -9.549 1.00 0.00 H new ATOM 0 HA2 GLY A 249 -10.856 9.861 -11.280 1.00 0.00 H new ATOM 0 HA3 GLY A 249 -12.504 9.897 -10.685 1.00 0.00 H new ATOM 445 N THR A 250 -10.128 11.638 -9.186 1.00 0.00 N ATOM 446 CA THR A 250 -9.806 12.949 -8.636 1.00 0.00 C ATOM 447 C THR A 250 -8.323 13.265 -8.801 1.00 0.00 C ATOM 448 O THR A 250 -7.501 12.364 -8.974 1.00 0.00 O ATOM 449 CB THR A 250 -10.176 13.039 -7.144 1.00 0.00 C ATOM 450 OG1 THR A 250 -9.225 12.311 -6.359 1.00 0.00 O ATOM 451 CG2 THR A 250 -11.572 12.487 -6.898 1.00 0.00 C ATOM 0 H THR A 250 -9.430 10.919 -8.997 1.00 0.00 H new ATOM 0 HA THR A 250 -10.394 13.679 -9.193 1.00 0.00 H new ATOM 0 HB THR A 250 -10.161 14.089 -6.851 1.00 0.00 H new ATOM 0 HG1 THR A 250 -9.090 11.423 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 250 -11.811 12.561 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 250 -12.297 13.061 -7.474 1.00 0.00 H new ATOM 0 HG23 THR A 250 -11.610 11.442 -7.206 1.00 0.00 H new ATOM 459 N LEU A 251 -7.987 14.549 -8.744 1.00 0.00 N ATOM 460 CA LEU A 251 -6.602 14.984 -8.886 1.00 0.00 C ATOM 461 C LEU A 251 -5.801 14.668 -7.627 1.00 0.00 C ATOM 462 O LEU A 251 -6.348 14.187 -6.634 1.00 0.00 O ATOM 463 CB LEU A 251 -6.546 16.484 -9.178 1.00 0.00 C ATOM 464 CG LEU A 251 -6.804 16.896 -10.628 1.00 0.00 C ATOM 465 CD1 LEU A 251 -6.888 18.410 -10.745 1.00 0.00 C ATOM 466 CD2 LEU A 251 -5.716 16.348 -11.540 1.00 0.00 C ATOM 0 H LEU A 251 -8.654 15.307 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 251 -6.159 14.441 -9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 251 -7.277 16.985 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 251 -5.563 16.854 -8.885 1.00 0.00 H new ATOM 0 HG LEU A 251 -7.759 16.474 -10.941 1.00 0.00 H new ATOM 0 HD11 LEU A 251 -7.072 18.685 -11.784 1.00 0.00 H new ATOM 0 HD12 LEU A 251 -7.703 18.778 -10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 251 -5.949 18.853 -10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 251 -5.916 16.651 -12.568 1.00 0.00 H new ATOM 0 HD22 LEU A 251 -4.748 16.740 -11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 251 -5.704 15.260 -11.478 1.00 0.00 H new ATOM 478 N LEU A 252 -4.502 14.945 -7.674 1.00 0.00 N ATOM 479 CA LEU A 252 -3.625 14.693 -6.536 1.00 0.00 C ATOM 480 C LEU A 252 -2.748 15.907 -6.246 1.00 0.00 C ATOM 481 O LEU A 252 -1.883 16.266 -7.044 1.00 0.00 O ATOM 482 CB LEU A 252 -2.747 13.469 -6.805 1.00 0.00 C ATOM 483 CG LEU A 252 -3.364 12.381 -7.685 1.00 0.00 C ATOM 484 CD1 LEU A 252 -3.192 12.725 -9.157 1.00 0.00 C ATOM 485 CD2 LEU A 252 -2.742 11.028 -7.376 1.00 0.00 C ATOM 0 H LEU A 252 -4.033 15.344 -8.487 1.00 0.00 H new ATOM 0 HA LEU A 252 -4.249 14.501 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 252 -1.822 13.806 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 252 -2.476 13.024 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 252 -4.431 12.326 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 252 -3.637 11.940 -9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 252 -3.685 13.674 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 252 -2.130 12.808 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 252 -3.193 10.266 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 252 -1.669 11.069 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 252 -2.917 10.778 -6.330 1.00 0.00 H new ATOM 497 N TRP A 253 -2.977 16.533 -5.097 1.00 0.00 N ATOM 498 CA TRP A 253 -2.206 17.706 -4.700 1.00 0.00 C ATOM 499 C TRP A 253 -1.121 17.330 -3.697 1.00 0.00 C ATOM 500 O TRP A 253 -1.263 16.366 -2.946 1.00 0.00 O ATOM 501 CB TRP A 253 -3.128 18.768 -4.098 1.00 0.00 C ATOM 502 CG TRP A 253 -2.389 19.877 -3.412 1.00 0.00 C ATOM 503 CD1 TRP A 253 -2.308 20.099 -2.068 1.00 0.00 C ATOM 504 CD2 TRP A 253 -1.629 20.916 -4.040 1.00 0.00 C ATOM 505 NE1 TRP A 253 -1.543 21.214 -1.821 1.00 0.00 N ATOM 506 CE2 TRP A 253 -1.114 21.732 -3.014 1.00 0.00 C ATOM 507 CE3 TRP A 253 -1.332 21.234 -5.367 1.00 0.00 C ATOM 508 CZ2 TRP A 253 -0.321 22.846 -3.277 1.00 0.00 C ATOM 509 CZ3 TRP A 253 -0.544 22.340 -5.627 1.00 0.00 C ATOM 510 CH2 TRP A 253 -0.045 23.134 -4.586 1.00 0.00 C ATOM 0 H TRP A 253 -3.689 16.249 -4.425 1.00 0.00 H new ATOM 0 HA TRP A 253 -1.727 18.113 -5.590 1.00 0.00 H new ATOM 0 HB2 TRP A 253 -3.749 19.190 -4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 253 -3.800 18.293 -3.384 1.00 0.00 H new ATOM 0 HD1 TRP A 253 -2.776 19.489 -1.310 1.00 0.00 H new ATOM 0 HE1 TRP A 253 -1.329 21.594 -0.899 1.00 0.00 H new ATOM 0 HE3 TRP A 253 -1.711 20.627 -6.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 253 0.063 23.461 -2.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 253 -0.309 22.596 -6.650 1.00 0.00 H new ATOM 0 HH2 TRP A 253 0.570 23.990 -4.821 1.00 0.00 H new ATOM 521 N GLY A 254 -0.036 18.098 -3.690 1.00 0.00 N ATOM 522 CA GLY A 254 1.058 17.829 -2.775 1.00 0.00 C ATOM 523 C GLY A 254 2.416 18.013 -3.423 1.00 0.00 C ATOM 524 O GLY A 254 3.443 17.998 -2.744 1.00 0.00 O ATOM 0 H GLY A 254 0.105 18.902 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 254 0.978 18.491 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 254 0.973 16.808 -2.402 1.00 0.00 H new ATOM 528 N LEU A 255 2.422 18.186 -4.740 1.00 0.00 N ATOM 529 CA LEU A 255 3.664 18.373 -5.482 1.00 0.00 C ATOM 530 C LEU A 255 4.758 17.450 -4.953 1.00 0.00 C ATOM 531 O LEU A 255 5.939 17.793 -4.979 1.00 0.00 O ATOM 532 CB LEU A 255 4.122 19.829 -5.391 1.00 0.00 C ATOM 533 CG LEU A 255 3.175 20.869 -5.993 1.00 0.00 C ATOM 534 CD1 LEU A 255 3.439 22.242 -5.393 1.00 0.00 C ATOM 535 CD2 LEU A 255 3.321 20.909 -7.507 1.00 0.00 C ATOM 0 H LEU A 255 1.581 18.201 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 255 3.476 18.123 -6.526 1.00 0.00 H new ATOM 0 HB2 LEU A 255 4.279 20.075 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 255 5.089 19.917 -5.887 1.00 0.00 H new ATOM 0 HG LEU A 255 2.151 20.582 -5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 255 2.756 22.969 -5.833 1.00 0.00 H new ATOM 0 HD12 LEU A 255 3.283 22.204 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 255 4.467 22.538 -5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 255 2.640 21.654 -7.919 1.00 0.00 H new ATOM 0 HD22 LEU A 255 4.346 21.172 -7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 255 3.081 19.930 -7.922 1.00 0.00 H new ATOM 547 N ALA A 256 4.355 16.277 -4.475 1.00 0.00 N ATOM 548 CA ALA A 256 5.301 15.304 -3.944 1.00 0.00 C ATOM 549 C ALA A 256 4.636 13.947 -3.739 1.00 0.00 C ATOM 550 O ALA A 256 3.455 13.869 -3.397 1.00 0.00 O ATOM 551 CB ALA A 256 5.896 15.805 -2.636 1.00 0.00 C ATOM 0 H ALA A 256 3.380 15.978 -4.445 1.00 0.00 H new ATOM 0 HA ALA A 256 6.103 15.180 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 256 6.601 15.068 -2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 256 6.415 16.747 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 256 5.099 15.959 -1.909 1.00 0.00 H new ATOM 557 N ARG A 257 5.400 12.880 -3.950 1.00 0.00 N ATOM 558 CA ARG A 257 4.883 11.526 -3.790 1.00 0.00 C ATOM 559 C ARG A 257 3.513 11.386 -4.448 1.00 0.00 C ATOM 560 O ARG A 257 2.707 10.545 -4.052 1.00 0.00 O ATOM 561 CB ARG A 257 4.787 11.166 -2.307 1.00 0.00 C ATOM 562 CG ARG A 257 5.948 11.690 -1.477 1.00 0.00 C ATOM 563 CD ARG A 257 7.152 10.765 -1.558 1.00 0.00 C ATOM 564 NE ARG A 257 6.934 9.517 -0.832 1.00 0.00 N ATOM 565 CZ ARG A 257 7.883 8.609 -0.631 1.00 0.00 C ATOM 566 NH1 ARG A 257 9.107 8.809 -1.099 1.00 0.00 N ATOM 567 NH2 ARG A 257 7.607 7.497 0.040 1.00 0.00 N ATOM 0 H ARG A 257 6.379 12.927 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 257 5.574 10.840 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 257 3.855 11.564 -1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 257 4.740 10.082 -2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 257 6.227 12.684 -1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 257 5.636 11.793 -0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 257 7.369 10.543 -2.603 1.00 0.00 H new ATOM 0 HD3 ARG A 257 8.027 11.273 -1.152 1.00 0.00 H new ATOM 0 HE ARG A 257 6.003 9.332 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 257 9.323 9.662 -1.615 1.00 0.00 H new ATOM 0 HH12 ARG A 257 9.833 8.110 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 257 6.666 7.340 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 257 8.336 6.800 0.194 1.00 0.00 H new ATOM 581 N GLN A 258 3.258 12.217 -5.454 1.00 0.00 N ATOM 582 CA GLN A 258 1.985 12.186 -6.166 1.00 0.00 C ATOM 583 C GLN A 258 1.541 10.750 -6.424 1.00 0.00 C ATOM 584 O GLN A 258 2.070 10.075 -7.306 1.00 0.00 O ATOM 585 CB GLN A 258 2.098 12.943 -7.490 1.00 0.00 C ATOM 586 CG GLN A 258 2.361 14.431 -7.319 1.00 0.00 C ATOM 587 CD GLN A 258 1.146 15.184 -6.815 1.00 0.00 C ATOM 588 OE1 GLN A 258 0.655 14.929 -5.715 1.00 0.00 O ATOM 589 NE2 GLN A 258 0.653 16.119 -7.619 1.00 0.00 N ATOM 0 H GLN A 258 3.915 12.919 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 258 1.236 12.672 -5.541 1.00 0.00 H new ATOM 0 HB2 GLN A 258 2.902 12.506 -8.082 1.00 0.00 H new ATOM 0 HB3 GLN A 258 1.176 12.808 -8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 258 3.186 14.572 -6.621 1.00 0.00 H new ATOM 0 HG3 GLN A 258 2.675 14.853 -8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 258 1.091 16.298 -8.522 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -0.164 16.659 -7.333 1.00 0.00 H new ATOM 598 N GLY A 259 0.565 10.288 -5.648 1.00 0.00 N ATOM 599 CA GLY A 259 0.067 8.935 -5.808 1.00 0.00 C ATOM 600 C GLY A 259 1.176 7.936 -6.069 1.00 0.00 C ATOM 601 O GLY A 259 2.305 8.115 -5.608 1.00 0.00 O ATOM 0 H GLY A 259 0.110 10.827 -4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 259 -0.477 8.643 -4.910 1.00 0.00 H new ATOM 0 HA3 GLY A 259 -0.644 8.908 -6.634 1.00 0.00 H new ATOM 605 N LEU A 260 0.857 6.879 -6.809 1.00 0.00 N ATOM 606 CA LEU A 260 1.835 5.846 -7.130 1.00 0.00 C ATOM 607 C LEU A 260 1.640 5.334 -8.554 1.00 0.00 C ATOM 608 O LEU A 260 0.650 5.657 -9.211 1.00 0.00 O ATOM 609 CB LEU A 260 1.724 4.686 -6.139 1.00 0.00 C ATOM 610 CG LEU A 260 1.297 5.055 -4.718 1.00 0.00 C ATOM 611 CD1 LEU A 260 0.586 3.886 -4.054 1.00 0.00 C ATOM 612 CD2 LEU A 260 2.502 5.487 -3.895 1.00 0.00 C ATOM 0 H LEU A 260 -0.072 6.715 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 260 2.829 6.286 -7.055 1.00 0.00 H new ATOM 0 HB2 LEU A 260 1.011 3.963 -6.535 1.00 0.00 H new ATOM 0 HB3 LEU A 260 2.690 4.185 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 260 0.601 5.892 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 260 0.289 4.167 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -0.300 3.623 -4.632 1.00 0.00 H new ATOM 0 HD13 LEU A 260 1.258 3.029 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 260 2.180 5.746 -2.886 1.00 0.00 H new ATOM 0 HD22 LEU A 260 3.222 4.670 -3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 260 2.969 6.355 -4.361 1.00 0.00 H new ATOM 624 N LYS A 261 2.590 4.533 -9.024 1.00 0.00 N ATOM 625 CA LYS A 261 2.522 3.973 -10.369 1.00 0.00 C ATOM 626 C LYS A 261 2.936 2.505 -10.368 1.00 0.00 C ATOM 627 O LYS A 261 3.967 2.140 -9.801 1.00 0.00 O ATOM 628 CB LYS A 261 3.420 4.767 -11.320 1.00 0.00 C ATOM 629 CG LYS A 261 2.979 4.697 -12.772 1.00 0.00 C ATOM 630 CD LYS A 261 4.063 5.204 -13.708 1.00 0.00 C ATOM 631 CE LYS A 261 3.472 5.775 -14.988 1.00 0.00 C ATOM 632 NZ LYS A 261 4.523 6.071 -16.001 1.00 0.00 N ATOM 0 H LYS A 261 3.416 4.257 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 261 1.490 4.041 -10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 261 3.438 5.810 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 261 4.441 4.393 -11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.728 3.668 -13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 261 2.074 5.289 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 261 4.651 5.971 -13.204 1.00 0.00 H new ATOM 0 HD3 LYS A 261 4.744 4.389 -13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 261 2.755 5.067 -15.404 1.00 0.00 H new ATOM 0 HE3 LYS A 261 2.922 6.687 -14.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 4.080 6.458 -16.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 5.193 6.766 -15.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 5.032 5.196 -16.240 1.00 0.00 H new ATOM 646 N CYS A 262 2.128 1.666 -11.008 1.00 0.00 N ATOM 647 CA CYS A 262 2.410 0.238 -11.082 1.00 0.00 C ATOM 648 C CYS A 262 3.523 -0.044 -12.087 1.00 0.00 C ATOM 649 O CYS A 262 3.585 0.572 -13.151 1.00 0.00 O ATOM 650 CB CYS A 262 1.148 -0.533 -11.473 1.00 0.00 C ATOM 651 SG CYS A 262 1.192 -2.302 -11.038 1.00 0.00 S ATOM 0 H CYS A 262 1.272 1.951 -11.483 1.00 0.00 H new ATOM 0 HA CYS A 262 2.740 -0.094 -10.097 1.00 0.00 H new ATOM 0 HB2 CYS A 262 0.288 -0.072 -10.987 1.00 0.00 H new ATOM 0 HB3 CYS A 262 0.996 -0.438 -12.548 1.00 0.00 H new ATOM 656 N ASP A 263 4.401 -0.980 -11.741 1.00 0.00 N ATOM 657 CA ASP A 263 5.511 -1.346 -12.613 1.00 0.00 C ATOM 658 C ASP A 263 5.176 -2.592 -13.426 1.00 0.00 C ATOM 659 O ASP A 263 6.025 -3.128 -14.137 1.00 0.00 O ATOM 660 CB ASP A 263 6.777 -1.586 -11.788 1.00 0.00 C ATOM 661 CG ASP A 263 8.042 -1.276 -12.565 1.00 0.00 C ATOM 662 OD1 ASP A 263 7.930 -0.795 -13.712 1.00 0.00 O ATOM 663 OD2 ASP A 263 9.143 -1.516 -12.027 1.00 0.00 O ATOM 0 H ASP A 263 4.365 -1.499 -10.863 1.00 0.00 H new ATOM 0 HA ASP A 263 5.686 -0.520 -13.303 1.00 0.00 H new ATOM 0 HB2 ASP A 263 6.745 -0.968 -10.890 1.00 0.00 H new ATOM 0 HB3 ASP A 263 6.801 -2.625 -11.459 1.00 0.00 H new ATOM 668 N ALA A 264 3.932 -3.048 -13.316 1.00 0.00 N ATOM 669 CA ALA A 264 3.485 -4.230 -14.042 1.00 0.00 C ATOM 670 C ALA A 264 2.550 -3.850 -15.185 1.00 0.00 C ATOM 671 O ALA A 264 2.838 -4.119 -16.352 1.00 0.00 O ATOM 672 CB ALA A 264 2.796 -5.201 -13.095 1.00 0.00 C ATOM 0 H ALA A 264 3.216 -2.616 -12.731 1.00 0.00 H new ATOM 0 HA ALA A 264 4.361 -4.717 -14.470 1.00 0.00 H new ATOM 0 HB1 ALA A 264 2.467 -6.079 -13.650 1.00 0.00 H new ATOM 0 HB2 ALA A 264 3.494 -5.505 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 264 1.933 -4.715 -12.640 1.00 0.00 H new ATOM 678 N CYS A 265 1.428 -3.225 -14.844 1.00 0.00 N ATOM 679 CA CYS A 265 0.450 -2.809 -15.841 1.00 0.00 C ATOM 680 C CYS A 265 0.733 -1.389 -16.323 1.00 0.00 C ATOM 681 O CYS A 265 0.688 -1.107 -17.519 1.00 0.00 O ATOM 682 CB CYS A 265 -0.964 -2.890 -15.264 1.00 0.00 C ATOM 683 SG CYS A 265 -1.215 -1.885 -13.766 1.00 0.00 S ATOM 0 H CYS A 265 1.174 -2.995 -13.883 1.00 0.00 H new ATOM 0 HA CYS A 265 0.528 -3.485 -16.692 1.00 0.00 H new ATOM 0 HB2 CYS A 265 -1.675 -2.570 -16.026 1.00 0.00 H new ATOM 0 HB3 CYS A 265 -1.191 -3.931 -15.033 1.00 0.00 H new ATOM 688 N GLY A 266 1.026 -0.498 -15.380 1.00 0.00 N ATOM 689 CA GLY A 266 1.313 0.882 -15.727 1.00 0.00 C ATOM 690 C GLY A 266 0.141 1.804 -15.456 1.00 0.00 C ATOM 691 O GLY A 266 -0.288 2.548 -16.337 1.00 0.00 O ATOM 0 H GLY A 266 1.070 -0.707 -14.383 1.00 0.00 H new ATOM 0 HA2 GLY A 266 2.179 1.224 -15.159 1.00 0.00 H new ATOM 0 HA3 GLY A 266 1.580 0.940 -16.782 1.00 0.00 H new ATOM 695 N MET A 267 -0.380 1.753 -14.235 1.00 0.00 N ATOM 696 CA MET A 267 -1.511 2.590 -13.851 1.00 0.00 C ATOM 697 C MET A 267 -1.109 3.580 -12.762 1.00 0.00 C ATOM 698 O MET A 267 -0.075 3.420 -12.116 1.00 0.00 O ATOM 699 CB MET A 267 -2.673 1.722 -13.364 1.00 0.00 C ATOM 700 CG MET A 267 -3.887 2.524 -12.925 1.00 0.00 C ATOM 701 SD MET A 267 -5.352 1.498 -12.698 1.00 0.00 S ATOM 702 CE MET A 267 -4.653 0.098 -11.826 1.00 0.00 C ATOM 0 H MET A 267 -0.037 1.141 -13.494 1.00 0.00 H new ATOM 0 HA MET A 267 -1.830 3.152 -14.729 1.00 0.00 H new ATOM 0 HB2 MET A 267 -2.967 1.041 -14.163 1.00 0.00 H new ATOM 0 HB3 MET A 267 -2.333 1.108 -12.530 1.00 0.00 H new ATOM 0 HG2 MET A 267 -3.660 3.038 -11.991 1.00 0.00 H new ATOM 0 HG3 MET A 267 -4.098 3.293 -13.668 1.00 0.00 H new ATOM 0 HE1 MET A 267 -5.454 -0.482 -11.368 1.00 0.00 H new ATOM 0 HE2 MET A 267 -4.105 -0.531 -12.528 1.00 0.00 H new ATOM 0 HE3 MET A 267 -3.974 0.454 -11.051 1.00 0.00 H new ATOM 712 N ASN A 268 -1.934 4.603 -12.566 1.00 0.00 N ATOM 713 CA ASN A 268 -1.664 5.620 -11.556 1.00 0.00 C ATOM 714 C ASN A 268 -2.837 5.752 -10.589 1.00 0.00 C ATOM 715 O ASN A 268 -3.984 5.914 -11.006 1.00 0.00 O ATOM 716 CB ASN A 268 -1.384 6.969 -12.222 1.00 0.00 C ATOM 717 CG ASN A 268 -0.693 6.819 -13.564 1.00 0.00 C ATOM 718 OD1 ASN A 268 -0.096 5.782 -13.854 1.00 0.00 O ATOM 719 ND2 ASN A 268 -0.770 7.857 -14.389 1.00 0.00 N ATOM 0 H ASN A 268 -2.795 4.750 -13.093 1.00 0.00 H new ATOM 0 HA ASN A 268 -0.784 5.311 -10.992 1.00 0.00 H new ATOM 0 HB2 ASN A 268 -2.323 7.506 -12.358 1.00 0.00 H new ATOM 0 HB3 ASN A 268 -0.763 7.575 -11.562 1.00 0.00 H new ATOM 0 HD21 ASN A 268 -0.324 7.815 -15.305 1.00 0.00 H new ATOM 0 HD22 ASN A 268 -1.276 8.697 -14.106 1.00 0.00 H new ATOM 726 N VAL A 269 -2.541 5.681 -9.295 1.00 0.00 N ATOM 727 CA VAL A 269 -3.569 5.793 -8.268 1.00 0.00 C ATOM 728 C VAL A 269 -3.007 6.411 -6.993 1.00 0.00 C ATOM 729 O VAL A 269 -1.822 6.269 -6.691 1.00 0.00 O ATOM 730 CB VAL A 269 -4.181 4.420 -7.934 1.00 0.00 C ATOM 731 CG1 VAL A 269 -5.016 3.909 -9.098 1.00 0.00 C ATOM 732 CG2 VAL A 269 -3.089 3.425 -7.572 1.00 0.00 C ATOM 0 H VAL A 269 -1.597 5.546 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 269 -4.348 6.441 -8.669 1.00 0.00 H new ATOM 0 HB VAL A 269 -4.837 4.534 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 269 -5.440 2.938 -8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 269 -5.822 4.614 -9.305 1.00 0.00 H new ATOM 0 HG13 VAL A 269 -4.386 3.809 -9.982 1.00 0.00 H new ATOM 0 HG21 VAL A 269 -3.539 2.460 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 269 -2.405 3.313 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 269 -2.539 3.788 -6.704 1.00 0.00 H new ATOM 742 N HIS A 270 -3.866 7.099 -6.246 1.00 0.00 N ATOM 743 CA HIS A 270 -3.456 7.738 -5.002 1.00 0.00 C ATOM 744 C HIS A 270 -2.727 6.749 -4.097 1.00 0.00 C ATOM 745 O HIS A 270 -2.484 5.605 -4.480 1.00 0.00 O ATOM 746 CB HIS A 270 -4.671 8.313 -4.274 1.00 0.00 C ATOM 747 CG HIS A 270 -5.057 9.683 -4.742 1.00 0.00 C ATOM 748 ND1 HIS A 270 -6.194 9.934 -5.479 1.00 0.00 N ATOM 749 CD2 HIS A 270 -4.449 10.880 -4.571 1.00 0.00 C ATOM 750 CE1 HIS A 270 -6.269 11.226 -5.744 1.00 0.00 C ATOM 751 NE2 HIS A 270 -5.222 11.823 -5.203 1.00 0.00 N ATOM 0 H HIS A 270 -4.850 7.228 -6.482 1.00 0.00 H new ATOM 0 HA HIS A 270 -2.772 8.550 -5.249 1.00 0.00 H new ATOM 0 HB2 HIS A 270 -5.518 7.640 -4.409 1.00 0.00 H new ATOM 0 HB3 HIS A 270 -4.460 8.349 -3.205 1.00 0.00 H new ATOM 0 HD2 HIS A 270 -3.528 11.060 -4.037 1.00 0.00 H new ATOM 0 HE1 HIS A 270 -7.053 11.711 -6.307 1.00 0.00 H new ATOM 0 HE2 HIS A 270 -5.020 12.822 -5.247 1.00 0.00 H new ATOM 759 N HIS A 271 -2.382 7.198 -2.894 1.00 0.00 N ATOM 760 CA HIS A 271 -1.681 6.352 -1.935 1.00 0.00 C ATOM 761 C HIS A 271 -2.638 5.357 -1.287 1.00 0.00 C ATOM 762 O HIS A 271 -2.266 4.219 -1.001 1.00 0.00 O ATOM 763 CB HIS A 271 -1.013 7.209 -0.859 1.00 0.00 C ATOM 764 CG HIS A 271 0.319 7.757 -1.271 1.00 0.00 C ATOM 765 ND1 HIS A 271 1.505 7.083 -1.069 1.00 0.00 N ATOM 766 CD2 HIS A 271 0.648 8.921 -1.879 1.00 0.00 C ATOM 767 CE1 HIS A 271 2.506 7.810 -1.532 1.00 0.00 C ATOM 768 NE2 HIS A 271 2.013 8.930 -2.030 1.00 0.00 N ATOM 0 H HIS A 271 -2.576 8.142 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 271 -0.914 5.795 -2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 271 -1.674 8.037 -0.603 1.00 0.00 H new ATOM 0 HB3 HIS A 271 -0.887 6.611 0.044 1.00 0.00 H new ATOM 0 HD2 HIS A 271 -0.036 9.698 -2.188 1.00 0.00 H new ATOM 0 HE1 HIS A 271 3.550 7.535 -1.508 1.00 0.00 H new ATOM 0 HE2 HIS A 271 2.557 9.679 -2.457 1.00 0.00 H new ATOM 776 N ARG A 272 -3.873 5.794 -1.058 1.00 0.00 N ATOM 777 CA ARG A 272 -4.883 4.942 -0.442 1.00 0.00 C ATOM 778 C ARG A 272 -5.725 4.241 -1.505 1.00 0.00 C ATOM 779 O ARG A 272 -6.090 3.075 -1.353 1.00 0.00 O ATOM 780 CB ARG A 272 -5.785 5.767 0.477 1.00 0.00 C ATOM 781 CG ARG A 272 -7.062 5.049 0.882 1.00 0.00 C ATOM 782 CD ARG A 272 -7.846 5.845 1.914 1.00 0.00 C ATOM 783 NE ARG A 272 -9.244 5.428 1.981 1.00 0.00 N ATOM 784 CZ ARG A 272 -10.172 5.829 1.120 1.00 0.00 C ATOM 785 NH1 ARG A 272 -9.853 6.653 0.132 1.00 0.00 N ATOM 786 NH2 ARG A 272 -11.423 5.406 1.247 1.00 0.00 N ATOM 0 H ARG A 272 -4.198 6.733 -1.290 1.00 0.00 H new ATOM 0 HA ARG A 272 -4.371 4.183 0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 272 -5.228 6.034 1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 272 -6.046 6.699 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 272 -7.682 4.883 0.001 1.00 0.00 H new ATOM 0 HG3 ARG A 272 -6.816 4.068 1.288 1.00 0.00 H new ATOM 0 HD2 ARG A 272 -7.384 5.722 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 272 -7.796 6.906 1.668 1.00 0.00 H new ATOM 0 HE ARG A 272 -9.523 4.794 2.730 1.00 0.00 H new ATOM 0 HH11 ARG A 272 -8.892 6.981 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 272 -10.568 6.959 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 272 -11.673 4.772 2.006 1.00 0.00 H new ATOM 0 HH22 ARG A 272 -12.135 5.714 0.585 1.00 0.00 H new ATOM 800 N CYS A 273 -6.029 4.961 -2.580 1.00 0.00 N ATOM 801 CA CYS A 273 -6.829 4.410 -3.667 1.00 0.00 C ATOM 802 C CYS A 273 -6.280 3.059 -4.116 1.00 0.00 C ATOM 803 O CYS A 273 -6.981 2.275 -4.754 1.00 0.00 O ATOM 804 CB CYS A 273 -6.855 5.380 -4.850 1.00 0.00 C ATOM 805 SG CYS A 273 -7.968 6.804 -4.620 1.00 0.00 S ATOM 0 H CYS A 273 -5.733 5.927 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 273 -7.845 4.266 -3.300 1.00 0.00 H new ATOM 0 HB2 CYS A 273 -5.844 5.747 -5.027 1.00 0.00 H new ATOM 0 HB3 CYS A 273 -7.158 4.837 -5.745 1.00 0.00 H new ATOM 810 N GLN A 274 -5.022 2.795 -3.776 1.00 0.00 N ATOM 811 CA GLN A 274 -4.380 1.539 -4.144 1.00 0.00 C ATOM 812 C GLN A 274 -4.954 0.377 -3.340 1.00 0.00 C ATOM 813 O GLN A 274 -5.111 -0.731 -3.854 1.00 0.00 O ATOM 814 CB GLN A 274 -2.869 1.631 -3.923 1.00 0.00 C ATOM 815 CG GLN A 274 -2.438 1.268 -2.511 1.00 0.00 C ATOM 816 CD GLN A 274 -0.931 1.207 -2.358 1.00 0.00 C ATOM 817 OE1 GLN A 274 -0.280 0.296 -2.871 1.00 0.00 O ATOM 818 NE2 GLN A 274 -0.367 2.179 -1.650 1.00 0.00 N ATOM 0 H GLN A 274 -4.428 3.434 -3.247 1.00 0.00 H new ATOM 0 HA GLN A 274 -4.575 1.356 -5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 274 -2.366 0.970 -4.629 1.00 0.00 H new ATOM 0 HB3 GLN A 274 -2.539 2.646 -4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 274 -2.841 2.001 -1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 274 -2.866 0.302 -2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 274 -0.945 2.914 -1.243 1.00 0.00 H new ATOM 0 HE22 GLN A 274 0.644 2.190 -1.514 1.00 0.00 H new ATOM 827 N THR A 275 -5.266 0.638 -2.074 1.00 0.00 N ATOM 828 CA THR A 275 -5.822 -0.386 -1.198 1.00 0.00 C ATOM 829 C THR A 275 -7.303 -0.609 -1.483 1.00 0.00 C ATOM 830 O THR A 275 -7.963 -1.402 -0.811 1.00 0.00 O ATOM 831 CB THR A 275 -5.647 -0.010 0.286 1.00 0.00 C ATOM 832 OG1 THR A 275 -6.094 1.332 0.507 1.00 0.00 O ATOM 833 CG2 THR A 275 -4.193 -0.142 0.710 1.00 0.00 C ATOM 0 H THR A 275 -5.143 1.549 -1.633 1.00 0.00 H new ATOM 0 HA THR A 275 -5.274 -1.306 -1.400 1.00 0.00 H new ATOM 0 HB THR A 275 -6.247 -0.696 0.885 1.00 0.00 H new ATOM 0 HG1 THR A 275 -6.394 1.721 -0.341 1.00 0.00 H new ATOM 0 HG21 THR A 275 -4.095 0.129 1.761 1.00 0.00 H new ATOM 0 HG22 THR A 275 -3.865 -1.172 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 275 -3.576 0.522 0.105 1.00 0.00 H new ATOM 841 N LYS A 276 -7.820 0.094 -2.485 1.00 0.00 N ATOM 842 CA LYS A 276 -9.223 -0.029 -2.861 1.00 0.00 C ATOM 843 C LYS A 276 -9.366 -0.736 -4.205 1.00 0.00 C ATOM 844 O LYS A 276 -10.472 -1.082 -4.621 1.00 0.00 O ATOM 845 CB LYS A 276 -9.877 1.353 -2.928 1.00 0.00 C ATOM 846 CG LYS A 276 -9.383 2.312 -1.859 1.00 0.00 C ATOM 847 CD LYS A 276 -10.368 3.446 -1.628 1.00 0.00 C ATOM 848 CE LYS A 276 -10.935 3.967 -2.940 1.00 0.00 C ATOM 849 NZ LYS A 276 -12.171 3.239 -3.339 1.00 0.00 N ATOM 0 H LYS A 276 -7.288 0.755 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 276 -9.726 -0.626 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 276 -9.688 1.788 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 276 -10.957 1.240 -2.832 1.00 0.00 H new ATOM 0 HG2 LYS A 276 -9.226 1.769 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 276 -8.418 2.722 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 276 -11.182 3.099 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 276 -9.872 4.258 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 276 -11.155 5.030 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 276 -10.185 3.867 -3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 276 -11.996 2.714 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 276 -12.440 2.574 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 276 -12.942 3.921 -3.490 1.00 0.00 H new ATOM 863 N VAL A 277 -8.241 -0.949 -4.879 1.00 0.00 N ATOM 864 CA VAL A 277 -8.240 -1.618 -6.175 1.00 0.00 C ATOM 865 C VAL A 277 -8.212 -3.133 -6.011 1.00 0.00 C ATOM 866 O VAL A 277 -8.105 -3.646 -4.898 1.00 0.00 O ATOM 867 CB VAL A 277 -7.036 -1.182 -7.031 1.00 0.00 C ATOM 868 CG1 VAL A 277 -7.365 -1.297 -8.512 1.00 0.00 C ATOM 869 CG2 VAL A 277 -6.617 0.236 -6.677 1.00 0.00 C ATOM 0 H VAL A 277 -7.318 -0.668 -4.549 1.00 0.00 H new ATOM 0 HA VAL A 277 -9.160 -1.328 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 277 -6.199 -1.847 -6.817 1.00 0.00 H new ATOM 0 HG11 VAL A 277 -6.503 -0.985 -9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 277 -7.612 -2.331 -8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 277 -8.216 -0.657 -8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 277 -5.765 0.528 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 277 -7.448 0.917 -6.861 1.00 0.00 H new ATOM 0 HG23 VAL A 277 -6.338 0.281 -5.624 1.00 0.00 H new ATOM 879 N ALA A 278 -8.309 -3.846 -7.129 1.00 0.00 N ATOM 880 CA ALA A 278 -8.292 -5.303 -7.110 1.00 0.00 C ATOM 881 C ALA A 278 -6.867 -5.837 -7.215 1.00 0.00 C ATOM 882 O ALA A 278 -5.962 -5.132 -7.659 1.00 0.00 O ATOM 883 CB ALA A 278 -9.149 -5.855 -8.239 1.00 0.00 C ATOM 0 H ALA A 278 -8.400 -3.437 -8.059 1.00 0.00 H new ATOM 0 HA ALA A 278 -8.707 -5.634 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 278 -9.127 -6.944 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 278 -10.176 -5.510 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 278 -8.759 -5.507 -9.195 1.00 0.00 H new ATOM 889 N ASN A 279 -6.676 -7.086 -6.802 1.00 0.00 N ATOM 890 CA ASN A 279 -5.361 -7.713 -6.849 1.00 0.00 C ATOM 891 C ASN A 279 -5.192 -8.529 -8.127 1.00 0.00 C ATOM 892 O ASN A 279 -4.760 -9.682 -8.088 1.00 0.00 O ATOM 893 CB ASN A 279 -5.158 -8.612 -5.627 1.00 0.00 C ATOM 894 CG ASN A 279 -6.429 -9.333 -5.222 1.00 0.00 C ATOM 895 OD1 ASN A 279 -7.013 -10.075 -6.012 1.00 0.00 O ATOM 896 ND2 ASN A 279 -6.863 -9.117 -3.986 1.00 0.00 N ATOM 0 H ASN A 279 -7.415 -7.683 -6.431 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.609 -6.924 -6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.381 -9.345 -5.844 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.803 -8.009 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -7.713 -9.574 -3.657 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.346 -8.494 -3.366 1.00 0.00 H new ATOM 903 N LEU A 280 -5.534 -7.923 -9.258 1.00 0.00 N ATOM 904 CA LEU A 280 -5.420 -8.592 -10.550 1.00 0.00 C ATOM 905 C LEU A 280 -4.731 -7.691 -11.570 1.00 0.00 C ATOM 906 O LEU A 280 -5.389 -7.004 -12.352 1.00 0.00 O ATOM 907 CB LEU A 280 -6.804 -8.996 -11.061 1.00 0.00 C ATOM 908 CG LEU A 280 -7.781 -9.522 -10.009 1.00 0.00 C ATOM 909 CD1 LEU A 280 -9.214 -9.205 -10.405 1.00 0.00 C ATOM 910 CD2 LEU A 280 -7.599 -11.021 -9.815 1.00 0.00 C ATOM 0 H LEU A 280 -5.893 -6.969 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 280 -4.814 -9.488 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 280 -7.256 -8.132 -11.548 1.00 0.00 H new ATOM 0 HB3 LEU A 280 -6.677 -9.762 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 280 -7.569 -9.024 -9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 280 -9.895 -9.587 -9.644 1.00 0.00 H new ATOM 0 HD12 LEU A 280 -9.337 -8.126 -10.493 1.00 0.00 H new ATOM 0 HD13 LEU A 280 -9.439 -9.675 -11.362 1.00 0.00 H new ATOM 0 HD21 LEU A 280 -8.302 -11.379 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 280 -7.784 -11.535 -10.758 1.00 0.00 H new ATOM 0 HD23 LEU A 280 -6.580 -11.224 -9.485 1.00 0.00 H new ATOM 922 N CYS A 281 -3.403 -7.702 -11.559 1.00 0.00 N ATOM 923 CA CYS A 281 -2.623 -6.888 -12.484 1.00 0.00 C ATOM 924 C CYS A 281 -2.249 -7.687 -13.729 1.00 0.00 C ATOM 925 O CYS A 281 -1.490 -8.652 -13.655 1.00 0.00 O ATOM 926 CB CYS A 281 -1.358 -6.369 -11.798 1.00 0.00 C ATOM 927 SG CYS A 281 -0.315 -5.319 -12.860 1.00 0.00 S ATOM 0 H CYS A 281 -2.844 -8.266 -10.919 1.00 0.00 H new ATOM 0 HA CYS A 281 -3.236 -6.040 -12.789 1.00 0.00 H new ATOM 0 HB2 CYS A 281 -1.644 -5.801 -10.913 1.00 0.00 H new ATOM 0 HB3 CYS A 281 -0.769 -7.219 -11.455 1.00 0.00 H new ATOM 932 N GLY A 282 -2.789 -7.278 -14.873 1.00 0.00 N ATOM 933 CA GLY A 282 -2.500 -7.966 -16.118 1.00 0.00 C ATOM 934 C GLY A 282 -3.243 -9.282 -16.239 1.00 0.00 C ATOM 935 O GLY A 282 -3.187 -9.940 -17.278 1.00 0.00 O ATOM 0 H GLY A 282 -3.421 -6.482 -14.960 1.00 0.00 H new ATOM 0 HA2 GLY A 282 -2.768 -7.322 -16.956 1.00 0.00 H new ATOM 0 HA3 GLY A 282 -1.428 -8.150 -16.188 1.00 0.00 H new ATOM 939 N ILE A 283 -3.939 -9.666 -15.174 1.00 0.00 N ATOM 940 CA ILE A 283 -4.695 -10.912 -15.166 1.00 0.00 C ATOM 941 C ILE A 283 -5.677 -10.967 -16.330 1.00 0.00 C ATOM 942 O ILE A 283 -6.089 -12.044 -16.758 1.00 0.00 O ATOM 943 CB ILE A 283 -5.469 -11.092 -13.846 1.00 0.00 C ATOM 944 CG1 ILE A 283 -4.498 -11.169 -12.666 1.00 0.00 C ATOM 945 CG2 ILE A 283 -6.337 -12.340 -13.908 1.00 0.00 C ATOM 946 CD1 ILE A 283 -3.441 -12.239 -12.822 1.00 0.00 C ATOM 0 H ILE A 283 -3.995 -9.133 -14.306 1.00 0.00 H new ATOM 0 HA ILE A 283 -3.971 -11.721 -15.267 1.00 0.00 H new ATOM 0 HB ILE A 283 -6.118 -10.228 -13.701 1.00 0.00 H new ATOM 0 HG12 ILE A 283 -4.010 -10.202 -12.544 1.00 0.00 H new ATOM 0 HG13 ILE A 283 -5.063 -11.358 -11.753 1.00 0.00 H new ATOM 0 HG21 ILE A 283 -6.878 -12.454 -12.969 1.00 0.00 H new ATOM 0 HG22 ILE A 283 -7.049 -12.247 -14.728 1.00 0.00 H new ATOM 0 HG23 ILE A 283 -5.707 -13.214 -14.072 1.00 0.00 H new ATOM 0 HD11 ILE A 283 -2.788 -12.236 -11.949 1.00 0.00 H new ATOM 0 HD12 ILE A 283 -3.921 -13.214 -12.913 1.00 0.00 H new ATOM 0 HD13 ILE A 283 -2.851 -12.040 -13.717 1.00 0.00 H new ATOM 958 N ASN A 284 -6.048 -9.797 -16.840 1.00 0.00 N ATOM 959 CA ASN A 284 -6.981 -9.711 -17.957 1.00 0.00 C ATOM 960 C ASN A 284 -6.265 -9.280 -19.233 1.00 0.00 C ATOM 961 O ASN A 284 -5.723 -8.178 -19.312 1.00 0.00 O ATOM 962 CB ASN A 284 -8.107 -8.726 -17.634 1.00 0.00 C ATOM 963 CG ASN A 284 -9.046 -9.252 -16.565 1.00 0.00 C ATOM 964 OD1 ASN A 284 -10.158 -9.690 -16.861 1.00 0.00 O ATOM 965 ND2 ASN A 284 -8.601 -9.211 -15.315 1.00 0.00 N ATOM 0 H ASN A 284 -5.717 -8.895 -16.497 1.00 0.00 H new ATOM 0 HA ASN A 284 -7.408 -10.701 -18.118 1.00 0.00 H new ATOM 0 HB2 ASN A 284 -7.676 -7.781 -17.302 1.00 0.00 H new ATOM 0 HB3 ASN A 284 -8.674 -8.516 -18.541 1.00 0.00 H new ATOM 0 HD21 ASN A 284 -9.188 -9.551 -14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 284 -7.672 -8.839 -15.116 1.00 0.00 H new TER 972 ASN A 284 HETATM 973 ZN ZN A 300 -0.678 -3.208 -11.916 1.00 0.00 ZN HETATM 974 ZN ZN A 400 -7.452 8.436 -6.093 1.00 0.00 ZN