USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 689 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 29 LYS NZ :NH3+ 160:sc= -0.18 (180deg=-0.736) USER MOD Set 1.2: A 74 CYS SG : rot -26:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -145:sc= -2.18 (180deg=-4.92!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 138:sc= 0.955 (180deg=-0.432) USER MOD Single : A 17 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.2) USER MOD Single : A 19 SER OG : rot 70:sc= 0.697 USER MOD Single : A 23 ASN : amide:sc= -3.58! C(o=-3.6!,f=-7.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.7!) USER MOD Single : A 39 SER OG : rot -84:sc= 1.03 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 143:sc= -0.224 (180deg=-1.76!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.28 K(o=-0.28,f=-4.5!) USER MOD Single : A 58 THR OG1 : rot -26:sc= -1.25! USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 0.276 (180deg=0.103) USER MOD Single : A 62 SER OG : rot -150:sc= -0.767 USER MOD Single : A 63 THR OG1 : rot 159:sc= -0.637 USER MOD Single : A 70 TYR OH : rot -9:sc= 1.11 USER MOD Single : A 72 THR OG1 : rot 166:sc= 1.28 USER MOD Single : A 73 SER OG : rot -62:sc= 1.28 USER MOD Single : B 203 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : B 208 LYS NZ :NH3+ -128:sc= 1.28 (180deg=0.0675) USER MOD Single : B 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0799 USER MOD ----------------------------------------------------------------- ATOM 104 N LYS A 8 -14.717 5.750 -3.965 1.00 0.00 N ATOM 105 CA LYS A 8 -14.525 5.431 -5.368 1.00 0.00 C ATOM 106 C LYS A 8 -13.336 4.490 -5.577 1.00 0.00 C ATOM 107 O LYS A 8 -12.375 4.495 -4.805 1.00 0.00 O ATOM 108 CB LYS A 8 -14.336 6.722 -6.153 1.00 0.00 C ATOM 109 CG LYS A 8 -13.129 7.522 -5.739 1.00 0.00 C ATOM 110 CD LYS A 8 -12.893 8.641 -6.718 1.00 0.00 C ATOM 111 CE LYS A 8 -11.591 9.366 -6.430 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.360 10.499 -7.362 1.00 0.00 N ATOM 0 HA LYS A 8 -15.411 4.909 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.253 6.481 -7.213 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.226 7.340 -6.035 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.277 7.928 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.252 6.876 -5.694 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.871 8.241 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.722 9.347 -6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.603 9.738 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.762 8.663 -6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.460 10.964 -7.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.321 10.143 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.137 11.185 -7.274 1.00 0.00 H new ATOM 126 N PRO A 9 -13.389 3.678 -6.644 1.00 0.00 N ATOM 127 CA PRO A 9 -12.373 2.660 -6.926 1.00 0.00 C ATOM 128 C PRO A 9 -11.049 3.270 -7.353 1.00 0.00 C ATOM 129 O PRO A 9 -11.011 4.295 -8.035 1.00 0.00 O ATOM 130 CB PRO A 9 -12.987 1.849 -8.067 1.00 0.00 C ATOM 131 CG PRO A 9 -13.908 2.797 -8.752 1.00 0.00 C ATOM 132 CD PRO A 9 -14.437 3.711 -7.681 1.00 0.00 C ATOM 0 HA PRO A 9 -12.137 2.063 -6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.220 1.480 -8.748 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.524 0.978 -7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.383 3.362 -9.523 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.720 2.263 -9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.595 4.721 -8.059 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.394 3.362 -7.294 1.00 0.00 H new ATOM 140 N MET A 10 -9.968 2.645 -6.926 1.00 0.00 N ATOM 141 CA MET A 10 -8.634 3.104 -7.253 1.00 0.00 C ATOM 142 C MET A 10 -8.239 2.614 -8.651 1.00 0.00 C ATOM 143 O MET A 10 -8.163 1.409 -8.891 1.00 0.00 O ATOM 144 CB MET A 10 -7.643 2.614 -6.199 1.00 0.00 C ATOM 145 CG MET A 10 -6.359 3.416 -6.187 1.00 0.00 C ATOM 146 SD MET A 10 -6.619 5.065 -5.526 1.00 0.00 S ATOM 147 CE MET A 10 -5.611 5.015 -4.057 1.00 0.00 C ATOM 0 H MET A 10 -9.991 1.807 -6.344 1.00 0.00 H new ATOM 0 HA MET A 10 -8.617 4.194 -7.258 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.109 2.667 -5.215 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.410 1.566 -6.385 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.610 2.897 -5.589 1.00 0.00 H new ATOM 0 HG3 MET A 10 -5.964 3.487 -7.200 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.086 5.601 -3.270 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.502 3.982 -3.725 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.628 5.431 -4.276 1.00 0.00 H new ATOM 157 N SER A 11 -8.010 3.549 -9.568 1.00 0.00 N ATOM 158 CA SER A 11 -7.734 3.212 -10.974 1.00 0.00 C ATOM 159 C SER A 11 -6.320 2.644 -11.150 1.00 0.00 C ATOM 160 O SER A 11 -5.540 2.652 -10.209 1.00 0.00 O ATOM 161 CB SER A 11 -7.925 4.448 -11.854 1.00 0.00 C ATOM 162 OG SER A 11 -9.191 5.041 -11.613 1.00 0.00 O ATOM 0 H SER A 11 -8.009 4.549 -9.369 1.00 0.00 H new ATOM 0 HA SER A 11 -8.440 2.440 -11.281 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.134 5.171 -11.652 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.842 4.170 -12.905 1.00 0.00 H new ATOM 0 HG SER A 11 -9.296 5.831 -12.183 1.00 0.00 H new ATOM 168 N TYR A 12 -5.987 2.170 -12.357 1.00 0.00 N ATOM 169 CA TYR A 12 -4.704 1.490 -12.595 1.00 0.00 C ATOM 170 C TYR A 12 -3.504 2.373 -12.259 1.00 0.00 C ATOM 171 O TYR A 12 -2.663 1.998 -11.439 1.00 0.00 O ATOM 172 CB TYR A 12 -4.592 0.995 -14.048 1.00 0.00 C ATOM 173 CG TYR A 12 -3.166 0.660 -14.464 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.351 -0.128 -13.658 1.00 0.00 C ATOM 175 CD2 TYR A 12 -2.629 1.151 -15.648 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.049 -0.415 -14.014 1.00 0.00 C ATOM 177 CE2 TYR A 12 -1.327 0.863 -16.013 1.00 0.00 C ATOM 178 CZ TYR A 12 -0.542 0.081 -15.191 1.00 0.00 C ATOM 179 OH TYR A 12 0.758 -0.199 -15.544 1.00 0.00 O ATOM 0 H TYR A 12 -6.583 2.243 -13.181 1.00 0.00 H new ATOM 0 HA TYR A 12 -4.688 0.632 -11.923 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.216 0.110 -14.172 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.987 1.760 -14.716 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.746 -0.524 -12.734 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -3.238 1.767 -16.293 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.432 -1.026 -13.371 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.926 1.249 -16.938 1.00 0.00 H new ATOM 0 HH TYR A 12 0.962 0.224 -16.404 1.00 0.00 H new ATOM 189 N GLU A 13 -3.428 3.546 -12.870 1.00 0.00 N ATOM 190 CA GLU A 13 -2.252 4.395 -12.729 1.00 0.00 C ATOM 191 C GLU A 13 -2.221 4.982 -11.335 1.00 0.00 C ATOM 192 O GLU A 13 -1.207 5.505 -10.872 1.00 0.00 O ATOM 193 CB GLU A 13 -2.268 5.509 -13.776 1.00 0.00 C ATOM 194 CG GLU A 13 -2.210 4.993 -15.204 1.00 0.00 C ATOM 195 CD GLU A 13 -2.314 6.102 -16.226 1.00 0.00 C ATOM 196 OE1 GLU A 13 -3.297 6.118 -16.996 1.00 0.00 O ATOM 197 OE2 GLU A 13 -1.421 6.974 -16.258 1.00 0.00 O ATOM 0 H GLU A 13 -4.162 3.931 -13.465 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.356 3.795 -12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.172 6.105 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.421 6.173 -13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.276 4.452 -15.354 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.020 4.280 -15.362 1.00 0.00 H new ATOM 204 N GLU A 14 -3.346 4.853 -10.670 1.00 0.00 N ATOM 205 CA GLU A 14 -3.533 5.352 -9.347 1.00 0.00 C ATOM 206 C GLU A 14 -3.116 4.273 -8.345 1.00 0.00 C ATOM 207 O GLU A 14 -2.426 4.551 -7.367 1.00 0.00 O ATOM 208 CB GLU A 14 -5.002 5.723 -9.240 1.00 0.00 C ATOM 209 CG GLU A 14 -5.348 6.611 -8.072 1.00 0.00 C ATOM 210 CD GLU A 14 -6.802 7.048 -8.094 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.628 6.366 -8.744 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.125 8.079 -7.466 1.00 0.00 O ATOM 0 H GLU A 14 -4.169 4.386 -11.051 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.923 6.229 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.303 6.223 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.589 4.807 -9.168 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.144 6.081 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.706 7.492 -8.085 1.00 0.00 H new ATOM 219 N LYS A 15 -3.539 3.038 -8.621 1.00 0.00 N ATOM 220 CA LYS A 15 -3.054 1.858 -7.936 1.00 0.00 C ATOM 221 C LYS A 15 -1.539 1.744 -8.015 1.00 0.00 C ATOM 222 O LYS A 15 -0.874 1.580 -6.994 1.00 0.00 O ATOM 223 CB LYS A 15 -3.683 0.608 -8.550 1.00 0.00 C ATOM 224 CG LYS A 15 -5.110 0.355 -8.095 1.00 0.00 C ATOM 225 CD LYS A 15 -5.545 -1.072 -8.397 1.00 0.00 C ATOM 226 CE LYS A 15 -6.796 -1.467 -7.629 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.495 -2.615 -8.266 1.00 0.00 N ATOM 0 H LYS A 15 -4.237 2.836 -9.337 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.336 1.946 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.669 0.701 -9.636 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.071 -0.258 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.191 0.543 -7.024 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.782 1.055 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.730 -1.175 -9.466 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.735 -1.757 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.527 -1.728 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.473 -0.614 -7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.813 -3.279 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.318 -2.268 -8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.843 -3.102 -8.914 1.00 0.00 H new ATOM 241 N ARG A 16 -0.995 1.814 -9.230 1.00 0.00 N ATOM 242 CA ARG A 16 0.450 1.729 -9.411 1.00 0.00 C ATOM 243 C ARG A 16 1.148 2.845 -8.664 1.00 0.00 C ATOM 244 O ARG A 16 2.159 2.612 -8.008 1.00 0.00 O ATOM 245 CB ARG A 16 0.850 1.762 -10.899 1.00 0.00 C ATOM 246 CG ARG A 16 2.295 2.217 -11.129 1.00 0.00 C ATOM 247 CD ARG A 16 2.741 2.088 -12.571 1.00 0.00 C ATOM 248 NE ARG A 16 4.065 2.680 -12.772 1.00 0.00 N ATOM 249 CZ ARG A 16 4.452 3.309 -13.880 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.623 3.435 -14.908 1.00 0.00 N ATOM 251 NH2 ARG A 16 5.672 3.822 -13.955 1.00 0.00 N ATOM 0 H ARG A 16 -1.527 1.928 -10.093 1.00 0.00 H new ATOM 0 HA ARG A 16 0.767 0.769 -9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.717 0.768 -11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.176 2.431 -11.434 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.396 3.256 -10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.959 1.628 -10.496 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.764 1.036 -12.854 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.018 2.578 -13.223 1.00 0.00 H new ATOM 0 HE ARG A 16 4.738 2.605 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.681 3.048 -14.854 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.928 3.918 -15.753 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.312 3.734 -13.165 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.971 4.304 -14.802 1.00 0.00 H new ATOM 265 N GLN A 17 0.606 4.057 -8.742 1.00 0.00 N ATOM 266 CA GLN A 17 1.224 5.163 -8.047 1.00 0.00 C ATOM 267 C GLN A 17 1.134 4.931 -6.548 1.00 0.00 C ATOM 268 O GLN A 17 2.068 5.224 -5.826 1.00 0.00 O ATOM 269 CB GLN A 17 0.618 6.513 -8.463 1.00 0.00 C ATOM 270 CG GLN A 17 1.512 7.692 -8.112 1.00 0.00 C ATOM 271 CD GLN A 17 2.870 7.608 -8.785 1.00 0.00 C ATOM 272 OE1 GLN A 17 3.000 7.070 -9.887 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.893 8.130 -8.128 1.00 0.00 N ATOM 0 H GLN A 17 -0.238 4.288 -9.267 1.00 0.00 H new ATOM 0 HA GLN A 17 2.276 5.211 -8.328 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.435 6.509 -9.538 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.349 6.638 -7.976 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.020 8.619 -8.407 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.647 7.733 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.745 8.567 -7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.829 8.096 -8.531 1.00 0.00 H new ATOM 282 N LEU A 18 0.035 4.325 -6.114 1.00 0.00 N ATOM 283 CA LEU A 18 -0.193 3.994 -4.721 1.00 0.00 C ATOM 284 C LEU A 18 0.831 2.987 -4.240 1.00 0.00 C ATOM 285 O LEU A 18 1.371 3.107 -3.142 1.00 0.00 O ATOM 286 CB LEU A 18 -1.605 3.438 -4.545 1.00 0.00 C ATOM 287 CG LEU A 18 -2.355 3.930 -3.306 1.00 0.00 C ATOM 288 CD1 LEU A 18 -2.213 2.946 -2.164 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.825 5.258 -2.841 1.00 0.00 C ATOM 0 H LEU A 18 -0.729 4.048 -6.730 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.090 4.900 -4.124 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.190 3.694 -5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.546 2.350 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.403 4.029 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.755 3.318 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.623 1.981 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.159 2.830 -1.913 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.378 5.582 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.768 5.161 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.944 5.995 -3.635 1.00 0.00 H new ATOM 301 N SER A 19 1.098 2.002 -5.083 1.00 0.00 N ATOM 302 CA SER A 19 2.120 1.012 -4.807 1.00 0.00 C ATOM 303 C SER A 19 3.469 1.705 -4.638 1.00 0.00 C ATOM 304 O SER A 19 4.321 1.282 -3.854 1.00 0.00 O ATOM 305 CB SER A 19 2.185 0.014 -5.962 1.00 0.00 C ATOM 306 OG SER A 19 0.903 -0.519 -6.254 1.00 0.00 O ATOM 0 H SER A 19 0.615 1.869 -5.971 1.00 0.00 H new ATOM 0 HA SER A 19 1.876 0.480 -3.888 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.588 0.505 -6.848 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.869 -0.796 -5.708 1.00 0.00 H new ATOM 0 HG SER A 19 0.343 0.177 -6.657 1.00 0.00 H new ATOM 312 N LEU A 20 3.630 2.789 -5.382 1.00 0.00 N ATOM 313 CA LEU A 20 4.851 3.581 -5.359 1.00 0.00 C ATOM 314 C LEU A 20 4.899 4.530 -4.148 1.00 0.00 C ATOM 315 O LEU A 20 5.931 4.630 -3.490 1.00 0.00 O ATOM 316 CB LEU A 20 4.976 4.360 -6.671 1.00 0.00 C ATOM 317 CG LEU A 20 5.115 3.487 -7.922 1.00 0.00 C ATOM 318 CD1 LEU A 20 5.001 4.316 -9.191 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.432 2.741 -7.895 1.00 0.00 C ATOM 0 H LEU A 20 2.917 3.145 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 20 5.698 2.903 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.099 4.997 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.842 5.019 -6.606 1.00 0.00 H new ATOM 0 HG LEU A 20 4.298 2.765 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.104 3.667 -10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.028 4.807 -9.218 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.789 5.069 -9.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.519 2.124 -8.789 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.254 3.456 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.472 2.105 -7.010 1.00 0.00 H new ATOM 331 N ASP A 21 3.800 5.241 -3.859 1.00 0.00 N ATOM 332 CA ASP A 21 3.716 6.059 -2.659 1.00 0.00 C ATOM 333 C ASP A 21 4.008 5.211 -1.426 1.00 0.00 C ATOM 334 O ASP A 21 4.733 5.624 -0.515 1.00 0.00 O ATOM 335 CB ASP A 21 2.354 6.719 -2.516 1.00 0.00 C ATOM 336 CG ASP A 21 1.674 7.110 -3.812 1.00 0.00 C ATOM 337 OD1 ASP A 21 2.293 7.837 -4.618 1.00 0.00 O ATOM 338 OD2 ASP A 21 0.494 6.767 -3.997 1.00 0.00 O ATOM 0 H ASP A 21 2.964 5.261 -4.443 1.00 0.00 H new ATOM 0 HA ASP A 21 4.462 6.849 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.697 6.040 -1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.466 7.613 -1.902 1.00 0.00 H new ATOM 343 N ILE A 22 3.462 4.009 -1.429 1.00 0.00 N ATOM 344 CA ILE A 22 3.690 3.049 -0.363 1.00 0.00 C ATOM 345 C ILE A 22 5.163 2.654 -0.262 1.00 0.00 C ATOM 346 O ILE A 22 5.737 2.645 0.822 1.00 0.00 O ATOM 347 CB ILE A 22 2.831 1.794 -0.566 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.381 2.078 -0.169 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.392 0.641 0.240 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.417 0.993 -0.596 1.00 0.00 C ATOM 0 H ILE A 22 2.848 3.670 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 22 3.402 3.534 0.570 1.00 0.00 H new ATOM 0 HB ILE A 22 2.851 1.518 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.325 2.198 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.070 3.025 -0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.774 -0.244 0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.411 0.432 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.395 0.904 1.298 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.592 1.259 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.444 0.888 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.704 0.049 -0.133 1.00 0.00 H new ATOM 362 N ASN A 23 5.772 2.339 -1.391 1.00 0.00 N ATOM 363 CA ASN A 23 7.155 1.873 -1.401 1.00 0.00 C ATOM 364 C ASN A 23 8.130 3.010 -1.091 1.00 0.00 C ATOM 365 O ASN A 23 9.309 2.769 -0.822 1.00 0.00 O ATOM 366 CB ASN A 23 7.493 1.200 -2.740 1.00 0.00 C ATOM 367 CG ASN A 23 8.238 2.093 -3.722 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.633 2.793 -4.526 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.559 2.052 -3.679 1.00 0.00 N ATOM 0 H ASN A 23 5.336 2.396 -2.312 1.00 0.00 H new ATOM 0 HA ASN A 23 7.262 1.129 -0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.096 0.313 -2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.568 0.861 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.108 2.615 -4.329 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.029 1.458 -2.996 1.00 0.00 H new ATOM 376 N LYS A 24 7.640 4.246 -1.135 1.00 0.00 N ATOM 377 CA LYS A 24 8.430 5.392 -0.704 1.00 0.00 C ATOM 378 C LYS A 24 8.677 5.333 0.794 1.00 0.00 C ATOM 379 O LYS A 24 9.747 5.715 1.271 1.00 0.00 O ATOM 380 CB LYS A 24 7.726 6.701 -1.033 1.00 0.00 C ATOM 381 CG LYS A 24 7.676 7.016 -2.509 1.00 0.00 C ATOM 382 CD LYS A 24 6.901 8.299 -2.758 1.00 0.00 C ATOM 383 CE LYS A 24 6.634 8.523 -4.231 1.00 0.00 C ATOM 384 NZ LYS A 24 7.887 8.737 -5.002 1.00 0.00 N ATOM 0 H LYS A 24 6.703 4.478 -1.464 1.00 0.00 H new ATOM 0 HA LYS A 24 9.379 5.353 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.708 6.662 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.233 7.515 -0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.689 7.115 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.207 6.192 -3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.954 8.261 -2.220 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.461 9.144 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.102 7.663 -4.637 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.982 9.388 -4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.656 8.886 -6.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.383 9.573 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.499 7.902 -4.908 1.00 0.00 H new ATOM 398 N LEU A 25 7.672 4.858 1.525 1.00 0.00 N ATOM 399 CA LEU A 25 7.743 4.765 2.975 1.00 0.00 C ATOM 400 C LEU A 25 8.962 3.973 3.427 1.00 0.00 C ATOM 401 O LEU A 25 9.414 3.053 2.742 1.00 0.00 O ATOM 402 CB LEU A 25 6.500 4.072 3.524 1.00 0.00 C ATOM 403 CG LEU A 25 5.158 4.588 3.024 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.065 3.661 3.510 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.899 6.004 3.516 1.00 0.00 C ATOM 0 H LEU A 25 6.791 4.529 1.129 1.00 0.00 H new ATOM 0 HA LEU A 25 7.813 5.784 3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.568 3.011 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.514 4.156 4.611 1.00 0.00 H new ATOM 0 HG LEU A 25 5.170 4.611 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.099 4.021 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.241 2.657 3.124 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.067 3.636 4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.934 6.348 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.893 6.015 4.606 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.685 6.665 3.151 1.00 0.00 H new ATOM 417 N PRO A 26 9.522 4.344 4.581 1.00 0.00 N ATOM 418 CA PRO A 26 10.538 3.535 5.245 1.00 0.00 C ATOM 419 C PRO A 26 9.992 2.150 5.598 1.00 0.00 C ATOM 420 O PRO A 26 8.774 1.984 5.735 1.00 0.00 O ATOM 421 CB PRO A 26 10.885 4.314 6.519 1.00 0.00 C ATOM 422 CG PRO A 26 10.288 5.679 6.357 1.00 0.00 C ATOM 423 CD PRO A 26 9.226 5.599 5.289 1.00 0.00 C ATOM 0 HA PRO A 26 11.407 3.370 4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.482 3.816 7.401 1.00 0.00 H new ATOM 0 HB3 PRO A 26 11.965 4.376 6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.857 6.021 7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.056 6.400 6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.226 5.586 5.722 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.271 6.456 4.617 1.00 0.00 H new ATOM 431 N GLY A 27 10.882 1.172 5.748 1.00 0.00 N ATOM 432 CA GLY A 27 10.473 -0.216 5.944 1.00 0.00 C ATOM 433 C GLY A 27 9.390 -0.394 6.992 1.00 0.00 C ATOM 434 O GLY A 27 8.402 -1.093 6.758 1.00 0.00 O ATOM 0 H GLY A 27 11.892 1.315 5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.117 -0.617 4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.344 -0.804 6.232 1.00 0.00 H new ATOM 438 N GLU A 28 9.570 0.256 8.139 1.00 0.00 N ATOM 439 CA GLU A 28 8.607 0.195 9.237 1.00 0.00 C ATOM 440 C GLU A 28 7.208 0.606 8.777 1.00 0.00 C ATOM 441 O GLU A 28 6.206 0.044 9.219 1.00 0.00 O ATOM 442 CB GLU A 28 9.059 1.124 10.372 1.00 0.00 C ATOM 443 CG GLU A 28 8.118 1.144 11.568 1.00 0.00 C ATOM 444 CD GLU A 28 8.154 -0.143 12.368 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.132 -0.360 13.112 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.199 -0.944 12.270 1.00 0.00 O ATOM 0 H GLU A 28 10.385 0.838 8.334 1.00 0.00 H new ATOM 0 HA GLU A 28 8.564 -0.836 9.589 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.049 0.816 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.155 2.137 9.982 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.383 1.978 12.218 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.100 1.322 11.220 1.00 0.00 H new ATOM 453 N LYS A 29 7.146 1.569 7.870 1.00 0.00 N ATOM 454 CA LYS A 29 5.880 2.160 7.474 1.00 0.00 C ATOM 455 C LYS A 29 5.121 1.295 6.477 1.00 0.00 C ATOM 456 O LYS A 29 3.896 1.356 6.411 1.00 0.00 O ATOM 457 CB LYS A 29 6.085 3.566 6.916 1.00 0.00 C ATOM 458 CG LYS A 29 6.206 4.676 7.975 1.00 0.00 C ATOM 459 CD LYS A 29 5.477 4.384 9.281 1.00 0.00 C ATOM 460 CE LYS A 29 5.684 5.525 10.256 1.00 0.00 C ATOM 461 NZ LYS A 29 5.530 6.849 9.596 1.00 0.00 N ATOM 0 H LYS A 29 7.960 1.958 7.394 1.00 0.00 H new ATOM 0 HA LYS A 29 5.269 2.225 8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.987 3.569 6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.251 3.804 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.261 4.841 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.818 5.604 7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.413 4.246 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.846 3.454 9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.967 5.440 11.073 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.679 5.451 10.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.340 7.576 10.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.405 7.087 9.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.737 6.812 8.924 1.00 0.00 H new ATOM 475 N LEU A 30 5.818 0.473 5.708 1.00 0.00 N ATOM 476 CA LEU A 30 5.111 -0.488 4.870 1.00 0.00 C ATOM 477 C LEU A 30 4.505 -1.572 5.754 1.00 0.00 C ATOM 478 O LEU A 30 3.590 -2.283 5.342 1.00 0.00 O ATOM 479 CB LEU A 30 6.000 -1.111 3.797 1.00 0.00 C ATOM 480 CG LEU A 30 6.471 -0.182 2.688 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.849 0.353 2.987 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.467 -0.909 1.353 1.00 0.00 C ATOM 0 H LEU A 30 6.836 0.448 5.645 1.00 0.00 H new ATOM 0 HA LEU A 30 4.326 0.051 4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.878 -1.535 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.457 -1.939 3.342 1.00 0.00 H new ATOM 0 HG LEU A 30 5.781 0.660 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.165 1.015 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.828 0.908 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.551 -0.477 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.806 -0.232 0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.136 -1.768 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.456 -1.249 1.127 1.00 0.00 H new ATOM 494 N GLY A 31 4.995 -1.659 6.989 1.00 0.00 N ATOM 495 CA GLY A 31 4.436 -2.587 7.955 1.00 0.00 C ATOM 496 C GLY A 31 3.020 -2.211 8.343 1.00 0.00 C ATOM 497 O GLY A 31 2.282 -3.015 8.909 1.00 0.00 O ATOM 0 H GLY A 31 5.773 -1.100 7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.443 -3.594 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.064 -2.606 8.846 1.00 0.00 H new ATOM 501 N ARG A 32 2.651 -0.979 8.040 1.00 0.00 N ATOM 502 CA ARG A 32 1.292 -0.504 8.253 1.00 0.00 C ATOM 503 C ARG A 32 0.374 -0.922 7.106 1.00 0.00 C ATOM 504 O ARG A 32 -0.691 -1.484 7.338 1.00 0.00 O ATOM 505 CB ARG A 32 1.279 1.014 8.398 1.00 0.00 C ATOM 506 CG ARG A 32 -0.102 1.631 8.218 1.00 0.00 C ATOM 507 CD ARG A 32 -0.712 2.062 9.536 1.00 0.00 C ATOM 508 NE ARG A 32 0.145 2.997 10.266 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.315 3.990 11.024 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.624 4.188 11.147 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.538 4.782 11.660 1.00 0.00 N ATOM 0 H ARG A 32 3.280 -0.282 7.641 1.00 0.00 H new ATOM 0 HA ARG A 32 0.920 -0.957 9.172 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.661 1.280 9.384 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.960 1.447 7.665 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.030 2.492 7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.760 0.910 7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.679 2.529 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.895 1.183 10.154 1.00 0.00 H new ATOM 0 HE ARG A 32 1.155 2.881 10.189 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.280 3.578 10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.972 4.950 11.729 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.542 4.629 11.567 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.190 5.544 12.242 1.00 0.00 H new ATOM 525 N VAL A 33 0.777 -0.637 5.868 1.00 0.00 N ATOM 526 CA VAL A 33 -0.036 -0.987 4.704 1.00 0.00 C ATOM 527 C VAL A 33 -0.220 -2.486 4.584 1.00 0.00 C ATOM 528 O VAL A 33 -1.317 -2.940 4.274 1.00 0.00 O ATOM 529 CB VAL A 33 0.532 -0.426 3.386 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.094 1.015 3.203 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.044 -0.519 3.351 1.00 0.00 C ATOM 0 H VAL A 33 1.655 -0.168 5.646 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.007 -0.520 4.871 1.00 0.00 H new ATOM 0 HB VAL A 33 0.140 -1.029 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.500 1.403 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.995 1.063 3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.461 1.615 4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.412 -0.115 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.463 0.053 4.179 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.347 -1.562 3.441 1.00 0.00 H new ATOM 541 N VAL A 34 0.831 -3.260 4.841 1.00 0.00 N ATOM 542 CA VAL A 34 0.685 -4.702 4.855 1.00 0.00 C ATOM 543 C VAL A 34 -0.321 -5.094 5.932 1.00 0.00 C ATOM 544 O VAL A 34 -1.169 -5.940 5.711 1.00 0.00 O ATOM 545 CB VAL A 34 2.026 -5.443 5.074 1.00 0.00 C ATOM 546 CG1 VAL A 34 3.058 -5.007 4.050 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.555 -5.241 6.479 1.00 0.00 C ATOM 0 H VAL A 34 1.771 -2.917 5.038 1.00 0.00 H new ATOM 0 HA VAL A 34 0.324 -5.006 3.872 1.00 0.00 H new ATOM 0 HB VAL A 34 1.833 -6.508 4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.992 -5.541 4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.693 -5.231 3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.231 -3.935 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.497 -5.777 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.718 -4.178 6.657 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.831 -5.623 7.199 1.00 0.00 H new ATOM 557 N HIS A 35 -0.253 -4.413 7.070 1.00 0.00 N ATOM 558 CA HIS A 35 -1.161 -4.661 8.179 1.00 0.00 C ATOM 559 C HIS A 35 -2.592 -4.289 7.798 1.00 0.00 C ATOM 560 O HIS A 35 -3.534 -5.006 8.129 1.00 0.00 O ATOM 561 CB HIS A 35 -0.694 -3.880 9.410 1.00 0.00 C ATOM 562 CG HIS A 35 -1.615 -3.953 10.588 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.546 -4.947 11.538 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.613 -3.128 10.978 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.462 -4.733 12.462 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.124 -3.635 12.147 1.00 0.00 N ATOM 0 H HIS A 35 0.430 -3.677 7.248 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.152 -5.724 8.418 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.286 -4.253 9.709 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.565 -2.834 9.132 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.946 -2.237 10.466 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.640 -5.351 13.329 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.890 -3.230 12.685 1.00 0.00 H new ATOM 575 N ILE A 36 -2.753 -3.164 7.107 1.00 0.00 N ATOM 576 CA ILE A 36 -4.059 -2.775 6.602 1.00 0.00 C ATOM 577 C ILE A 36 -4.558 -3.807 5.600 1.00 0.00 C ATOM 578 O ILE A 36 -5.594 -4.424 5.805 1.00 0.00 O ATOM 579 CB ILE A 36 -4.058 -1.383 5.928 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.772 -0.280 6.940 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.409 -1.141 5.277 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.465 1.053 6.300 1.00 0.00 C ATOM 0 H ILE A 36 -2.000 -2.512 6.887 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.721 -2.722 7.466 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.270 -1.364 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.633 -0.169 7.599 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.929 -0.578 7.564 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.413 -0.161 4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.594 -1.910 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.191 -1.179 6.036 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.271 1.793 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.586 0.957 5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.316 1.372 5.699 1.00 0.00 H new ATOM 594 N ILE A 37 -3.800 -3.998 4.529 1.00 0.00 N ATOM 595 CA ILE A 37 -4.158 -4.965 3.500 1.00 0.00 C ATOM 596 C ILE A 37 -4.455 -6.347 4.092 1.00 0.00 C ATOM 597 O ILE A 37 -5.520 -6.888 3.866 1.00 0.00 O ATOM 598 CB ILE A 37 -3.059 -5.094 2.437 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.105 -3.908 1.492 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.226 -6.386 1.665 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.764 -3.275 1.260 1.00 0.00 C ATOM 0 H ILE A 37 -2.931 -3.495 4.350 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.064 -4.585 3.028 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.089 -5.108 2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.516 -4.231 0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.787 -3.159 1.895 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.440 -6.465 0.914 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.159 -7.231 2.351 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.199 -6.393 1.174 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.872 -2.434 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.360 -2.921 2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.085 -4.010 0.828 1.00 0.00 H new ATOM 613 N GLN A 38 -3.518 -6.902 4.858 1.00 0.00 N ATOM 614 CA GLN A 38 -3.664 -8.256 5.409 1.00 0.00 C ATOM 615 C GLN A 38 -4.936 -8.400 6.245 1.00 0.00 C ATOM 616 O GLN A 38 -5.606 -9.431 6.197 1.00 0.00 O ATOM 617 CB GLN A 38 -2.449 -8.619 6.267 1.00 0.00 C ATOM 618 CG GLN A 38 -1.189 -8.914 5.471 1.00 0.00 C ATOM 619 CD GLN A 38 0.070 -8.854 6.319 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.136 -8.124 7.309 1.00 0.00 O ATOM 621 NE2 GLN A 38 1.082 -9.614 5.930 1.00 0.00 N ATOM 0 H GLN A 38 -2.647 -6.438 5.114 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.735 -8.939 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.246 -7.798 6.955 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.694 -9.491 6.874 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.272 -9.903 5.021 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.105 -8.198 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.988 -10.205 5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.956 -9.608 6.456 1.00 0.00 H new ATOM 630 N SER A 39 -5.260 -7.372 7.018 1.00 0.00 N ATOM 631 CA SER A 39 -6.433 -7.397 7.865 1.00 0.00 C ATOM 632 C SER A 39 -7.710 -7.228 7.043 1.00 0.00 C ATOM 633 O SER A 39 -8.729 -7.871 7.310 1.00 0.00 O ATOM 634 CB SER A 39 -6.328 -6.297 8.922 1.00 0.00 C ATOM 635 OG SER A 39 -6.257 -5.011 8.333 1.00 0.00 O ATOM 0 H SER A 39 -4.720 -6.508 7.072 1.00 0.00 H new ATOM 0 HA SER A 39 -6.483 -8.367 8.360 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.191 -6.346 9.586 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.443 -6.466 9.536 1.00 0.00 H new ATOM 0 HG SER A 39 -5.329 -4.814 8.087 1.00 0.00 H new ATOM 641 N ARG A 40 -7.643 -6.354 6.048 1.00 0.00 N ATOM 642 CA ARG A 40 -8.779 -6.074 5.178 1.00 0.00 C ATOM 643 C ARG A 40 -8.961 -7.193 4.156 1.00 0.00 C ATOM 644 O ARG A 40 -10.062 -7.432 3.657 1.00 0.00 O ATOM 645 CB ARG A 40 -8.572 -4.731 4.469 1.00 0.00 C ATOM 646 CG ARG A 40 -8.368 -3.564 5.427 1.00 0.00 C ATOM 647 CD ARG A 40 -9.200 -2.362 5.035 1.00 0.00 C ATOM 648 NE ARG A 40 -10.628 -2.677 5.003 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.593 -1.768 5.095 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.295 -0.478 5.192 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.862 -2.148 5.095 1.00 0.00 N ATOM 0 H ARG A 40 -6.804 -5.821 5.821 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.682 -6.018 5.786 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.706 -4.806 3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.436 -4.526 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.631 -3.874 6.438 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.314 -3.287 5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.022 -1.551 5.741 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.884 -2.006 4.054 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.900 -3.655 4.904 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.320 -0.179 5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.041 0.214 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.098 -3.138 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.603 -1.451 5.166 1.00 0.00 H new ATOM 665 N GLU A 41 -7.868 -7.873 3.860 1.00 0.00 N ATOM 666 CA GLU A 41 -7.854 -8.969 2.907 1.00 0.00 C ATOM 667 C GLU A 41 -7.379 -10.247 3.597 1.00 0.00 C ATOM 668 O GLU A 41 -6.218 -10.637 3.462 1.00 0.00 O ATOM 669 CB GLU A 41 -6.920 -8.634 1.746 1.00 0.00 C ATOM 670 CG GLU A 41 -7.155 -7.254 1.148 1.00 0.00 C ATOM 671 CD GLU A 41 -8.450 -7.171 0.369 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.145 -6.133 0.455 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.789 -8.150 -0.330 1.00 0.00 O ATOM 0 H GLU A 41 -6.958 -7.679 4.277 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.863 -9.121 2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.888 -8.699 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.043 -9.384 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.168 -6.513 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.323 -7.000 0.491 1.00 0.00 H new ATOM 680 N PRO A 42 -8.274 -10.921 4.344 1.00 0.00 N ATOM 681 CA PRO A 42 -7.926 -12.113 5.140 1.00 0.00 C ATOM 682 C PRO A 42 -7.418 -13.297 4.309 1.00 0.00 C ATOM 683 O PRO A 42 -7.147 -14.370 4.850 1.00 0.00 O ATOM 684 CB PRO A 42 -9.241 -12.493 5.830 1.00 0.00 C ATOM 685 CG PRO A 42 -10.095 -11.276 5.755 1.00 0.00 C ATOM 686 CD PRO A 42 -9.696 -10.562 4.497 1.00 0.00 C ATOM 0 HA PRO A 42 -7.105 -11.885 5.820 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.716 -13.337 5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.070 -12.789 6.865 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.152 -11.543 5.733 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.945 -10.641 6.628 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.288 -10.890 3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.832 -9.484 4.585 1.00 0.00 H new ATOM 694 N SER A 43 -7.291 -13.111 3.004 1.00 0.00 N ATOM 695 CA SER A 43 -6.838 -14.181 2.127 1.00 0.00 C ATOM 696 C SER A 43 -5.330 -14.105 1.884 1.00 0.00 C ATOM 697 O SER A 43 -4.753 -15.005 1.275 1.00 0.00 O ATOM 698 CB SER A 43 -7.590 -14.137 0.787 1.00 0.00 C ATOM 699 OG SER A 43 -8.992 -14.224 0.990 1.00 0.00 O ATOM 0 H SER A 43 -7.495 -12.231 2.529 1.00 0.00 H new ATOM 0 HA SER A 43 -7.054 -15.126 2.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.351 -13.212 0.262 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.259 -14.959 0.152 1.00 0.00 H new ATOM 0 HG SER A 43 -9.450 -14.192 0.124 1.00 0.00 H new ATOM 705 N LEU A 44 -4.683 -13.048 2.366 1.00 0.00 N ATOM 706 CA LEU A 44 -3.251 -12.896 2.134 1.00 0.00 C ATOM 707 C LEU A 44 -2.457 -12.747 3.428 1.00 0.00 C ATOM 708 O LEU A 44 -1.311 -12.297 3.411 1.00 0.00 O ATOM 709 CB LEU A 44 -2.978 -11.725 1.184 1.00 0.00 C ATOM 710 CG LEU A 44 -3.582 -10.386 1.573 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.638 -9.627 2.478 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.904 -9.582 0.328 1.00 0.00 C ATOM 0 H LEU A 44 -5.116 -12.300 2.908 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.907 -13.817 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.899 -11.601 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.350 -11.993 0.195 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.509 -10.559 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.084 -8.670 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.453 -10.209 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.696 -9.454 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.337 -8.624 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.990 -9.412 -0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.617 -10.132 -0.286 1.00 0.00 H new ATOM 724 N LYS A 45 -3.034 -13.165 4.548 1.00 0.00 N ATOM 725 CA LYS A 45 -2.296 -13.141 5.808 1.00 0.00 C ATOM 726 C LYS A 45 -1.343 -14.330 5.891 1.00 0.00 C ATOM 727 O LYS A 45 -0.712 -14.573 6.920 1.00 0.00 O ATOM 728 CB LYS A 45 -3.218 -13.056 7.031 1.00 0.00 C ATOM 729 CG LYS A 45 -4.374 -14.018 7.018 1.00 0.00 C ATOM 730 CD LYS A 45 -5.467 -13.585 7.975 1.00 0.00 C ATOM 731 CE LYS A 45 -5.173 -13.973 9.421 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.131 -13.116 10.046 1.00 0.00 N ATOM 0 H LYS A 45 -3.989 -13.518 4.613 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.701 -12.228 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.625 -13.234 7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.609 -12.041 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.779 -14.088 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.024 -15.014 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.592 -12.504 7.912 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.412 -14.034 7.668 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.091 -13.905 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.850 -15.013 9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.372 -12.948 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.209 -13.593 9.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.082 -12.207 9.544 1.00 0.00 H new ATOM 746 N ASN A 46 -1.254 -15.078 4.792 1.00 0.00 N ATOM 747 CA ASN A 46 -0.228 -16.103 4.638 1.00 0.00 C ATOM 748 C ASN A 46 1.121 -15.442 4.377 1.00 0.00 C ATOM 749 O ASN A 46 2.173 -15.994 4.701 1.00 0.00 O ATOM 750 CB ASN A 46 -0.552 -17.062 3.484 1.00 0.00 C ATOM 751 CG ASN A 46 -1.861 -17.796 3.662 1.00 0.00 C ATOM 752 OD1 ASN A 46 -1.935 -18.788 4.387 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.894 -17.345 2.966 1.00 0.00 N ATOM 0 H ASN A 46 -1.883 -14.991 3.994 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.194 -16.681 5.561 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.584 -16.499 2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 46 0.254 -17.790 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.793 -17.824 3.019 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.790 -16.519 2.377 1.00 0.00 H new ATOM 760 N SER A 47 1.079 -14.248 3.796 1.00 0.00 N ATOM 761 CA SER A 47 2.286 -13.489 3.511 1.00 0.00 C ATOM 762 C SER A 47 2.824 -12.861 4.788 1.00 0.00 C ATOM 763 O SER A 47 2.100 -12.159 5.496 1.00 0.00 O ATOM 764 CB SER A 47 1.988 -12.406 2.473 1.00 0.00 C ATOM 765 OG SER A 47 1.445 -12.971 1.294 1.00 0.00 O ATOM 0 H SER A 47 0.216 -13.785 3.513 1.00 0.00 H new ATOM 0 HA SER A 47 3.042 -14.164 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.289 -11.681 2.889 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.903 -11.865 2.233 1.00 0.00 H new ATOM 0 HG SER A 47 1.261 -12.260 0.645 1.00 0.00 H new ATOM 771 N ASN A 48 4.082 -13.131 5.090 1.00 0.00 N ATOM 772 CA ASN A 48 4.726 -12.538 6.255 1.00 0.00 C ATOM 773 C ASN A 48 5.186 -11.133 5.899 1.00 0.00 C ATOM 774 O ASN A 48 5.735 -10.947 4.825 1.00 0.00 O ATOM 775 CB ASN A 48 5.926 -13.379 6.704 1.00 0.00 C ATOM 776 CG ASN A 48 5.805 -13.847 8.144 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.151 -13.213 8.969 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.450 -14.958 8.462 1.00 0.00 N ATOM 0 H ASN A 48 4.679 -13.755 4.548 1.00 0.00 H new ATOM 0 HA ASN A 48 4.011 -12.503 7.077 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.022 -14.246 6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.838 -12.793 6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.414 -15.313 9.417 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.983 -15.459 7.752 1.00 0.00 H new ATOM 785 N PRO A 49 4.966 -10.130 6.764 1.00 0.00 N ATOM 786 CA PRO A 49 5.202 -8.713 6.409 1.00 0.00 C ATOM 787 C PRO A 49 6.574 -8.441 5.783 1.00 0.00 C ATOM 788 O PRO A 49 6.668 -7.724 4.789 1.00 0.00 O ATOM 789 CB PRO A 49 5.059 -7.989 7.749 1.00 0.00 C ATOM 790 CG PRO A 49 4.163 -8.865 8.561 1.00 0.00 C ATOM 791 CD PRO A 49 4.487 -10.277 8.159 1.00 0.00 C ATOM 0 HA PRO A 49 4.504 -8.380 5.641 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.027 -7.856 8.232 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.629 -6.996 7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.332 -8.714 9.627 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.115 -8.636 8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.250 -10.714 8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.612 -10.924 8.218 1.00 0.00 H new ATOM 799 N ASP A 50 7.618 -9.053 6.320 1.00 0.00 N ATOM 800 CA ASP A 50 8.983 -8.763 5.874 1.00 0.00 C ATOM 801 C ASP A 50 9.278 -9.459 4.553 1.00 0.00 C ATOM 802 O ASP A 50 10.293 -9.203 3.908 1.00 0.00 O ATOM 803 CB ASP A 50 10.001 -9.186 6.936 1.00 0.00 C ATOM 804 CG ASP A 50 9.821 -8.437 8.242 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.343 -9.049 9.220 1.00 0.00 O ATOM 806 OD2 ASP A 50 10.148 -7.232 8.297 1.00 0.00 O ATOM 0 H ASP A 50 7.553 -9.751 7.061 1.00 0.00 H new ATOM 0 HA ASP A 50 9.067 -7.687 5.723 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.907 -10.256 7.119 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.009 -9.014 6.558 1.00 0.00 H new ATOM 811 N GLU A 51 8.373 -10.340 4.167 1.00 0.00 N ATOM 812 CA GLU A 51 8.445 -11.046 2.896 1.00 0.00 C ATOM 813 C GLU A 51 7.112 -10.917 2.172 1.00 0.00 C ATOM 814 O GLU A 51 6.695 -11.806 1.428 1.00 0.00 O ATOM 815 CB GLU A 51 8.800 -12.514 3.111 1.00 0.00 C ATOM 816 CG GLU A 51 10.266 -12.742 3.435 1.00 0.00 C ATOM 817 CD GLU A 51 11.162 -12.682 2.211 1.00 0.00 C ATOM 818 OE1 GLU A 51 11.198 -13.675 1.458 1.00 0.00 O ATOM 819 OE2 GLU A 51 11.860 -11.665 2.013 1.00 0.00 O ATOM 0 H GLU A 51 7.560 -10.589 4.730 1.00 0.00 H new ATOM 0 HA GLU A 51 9.230 -10.601 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.191 -12.912 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.543 -13.077 2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.594 -11.992 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.379 -13.715 3.914 1.00 0.00 H new ATOM 826 N ILE A 52 6.440 -9.810 2.441 1.00 0.00 N ATOM 827 CA ILE A 52 5.100 -9.555 1.937 1.00 0.00 C ATOM 828 C ILE A 52 5.074 -9.469 0.408 1.00 0.00 C ATOM 829 O ILE A 52 6.038 -9.038 -0.225 1.00 0.00 O ATOM 830 CB ILE A 52 4.557 -8.229 2.520 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.077 -8.053 2.215 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.308 -7.073 1.917 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.179 -9.122 2.782 1.00 0.00 C ATOM 0 H ILE A 52 6.812 -9.057 3.020 1.00 0.00 H new ATOM 0 HA ILE A 52 4.473 -10.391 2.248 1.00 0.00 H new ATOM 0 HB ILE A 52 4.693 -8.259 3.601 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.754 -7.086 2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.945 -8.025 1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.926 -6.138 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.368 -7.166 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.174 -7.077 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.145 -8.909 2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.468 -10.092 2.377 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.274 -9.139 3.868 1.00 0.00 H new ATOM 845 N GLU A 53 3.973 -9.906 -0.179 1.00 0.00 N ATOM 846 CA GLU A 53 3.711 -9.661 -1.576 1.00 0.00 C ATOM 847 C GLU A 53 2.233 -9.315 -1.734 1.00 0.00 C ATOM 848 O GLU A 53 1.376 -10.198 -1.785 1.00 0.00 O ATOM 849 CB GLU A 53 4.088 -10.888 -2.403 1.00 0.00 C ATOM 850 CG GLU A 53 4.610 -10.548 -3.781 1.00 0.00 C ATOM 851 CD GLU A 53 5.103 -11.769 -4.526 1.00 0.00 C ATOM 852 OE1 GLU A 53 5.956 -12.497 -3.974 1.00 0.00 O ATOM 853 OE2 GLU A 53 4.663 -11.990 -5.672 1.00 0.00 O ATOM 0 H GLU A 53 3.245 -10.436 0.300 1.00 0.00 H new ATOM 0 HA GLU A 53 4.314 -8.828 -1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.846 -11.459 -1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.214 -11.532 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.820 -10.068 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.423 -9.827 -3.692 1.00 0.00 H new ATOM 860 N ILE A 54 1.948 -8.023 -1.791 1.00 0.00 N ATOM 861 CA ILE A 54 0.577 -7.531 -1.812 1.00 0.00 C ATOM 862 C ILE A 54 0.063 -7.450 -3.236 1.00 0.00 C ATOM 863 O ILE A 54 0.731 -6.915 -4.117 1.00 0.00 O ATOM 864 CB ILE A 54 0.466 -6.131 -1.167 1.00 0.00 C ATOM 865 CG1 ILE A 54 0.955 -6.166 0.280 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.974 -5.630 -1.227 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.193 -4.795 0.870 1.00 0.00 C ATOM 0 H ILE A 54 2.655 -7.289 -1.824 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.024 -8.235 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 54 1.098 -5.443 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.222 -6.693 0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.881 -6.739 0.328 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.035 -4.643 -0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.295 -5.568 -2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.622 -6.321 -0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.539 -4.897 1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.949 -4.273 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.264 -4.226 0.854 1.00 0.00 H new ATOM 879 N ASP A 55 -1.120 -7.984 -3.459 1.00 0.00 N ATOM 880 CA ASP A 55 -1.731 -7.939 -4.766 1.00 0.00 C ATOM 881 C ASP A 55 -2.693 -6.758 -4.828 1.00 0.00 C ATOM 882 O ASP A 55 -3.822 -6.834 -4.330 1.00 0.00 O ATOM 883 CB ASP A 55 -2.486 -9.239 -5.063 1.00 0.00 C ATOM 884 CG ASP A 55 -1.863 -10.467 -4.427 1.00 0.00 C ATOM 885 OD1 ASP A 55 -0.914 -11.029 -5.010 1.00 0.00 O ATOM 886 OD2 ASP A 55 -2.337 -10.892 -3.349 1.00 0.00 O ATOM 0 H ASP A 55 -1.678 -8.456 -2.747 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.948 -7.822 -5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.513 -9.140 -4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -2.531 -9.384 -6.142 1.00 0.00 H new ATOM 891 N PHE A 56 -2.255 -5.665 -5.441 1.00 0.00 N ATOM 892 CA PHE A 56 -3.050 -4.442 -5.479 1.00 0.00 C ATOM 893 C PHE A 56 -4.330 -4.653 -6.278 1.00 0.00 C ATOM 894 O PHE A 56 -5.281 -3.878 -6.183 1.00 0.00 O ATOM 895 CB PHE A 56 -2.248 -3.286 -6.079 1.00 0.00 C ATOM 896 CG PHE A 56 -2.449 -2.021 -5.308 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.915 -1.902 -4.056 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.200 -0.977 -5.805 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.114 -0.783 -3.308 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.398 0.166 -5.053 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.849 0.247 -3.802 1.00 0.00 C ATOM 0 H PHE A 56 -1.356 -5.600 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.314 -4.187 -4.453 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.189 -3.543 -6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.548 -3.133 -7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.324 -2.711 -3.653 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.637 -1.053 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.686 -0.714 -2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.979 0.986 -5.448 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.001 1.134 -3.205 1.00 0.00 H new ATOM 911 N GLU A 57 -4.345 -5.725 -7.044 1.00 0.00 N ATOM 912 CA GLU A 57 -5.458 -6.035 -7.913 1.00 0.00 C ATOM 913 C GLU A 57 -6.501 -6.903 -7.224 1.00 0.00 C ATOM 914 O GLU A 57 -7.552 -7.195 -7.798 1.00 0.00 O ATOM 915 CB GLU A 57 -4.933 -6.721 -9.168 1.00 0.00 C ATOM 916 CG GLU A 57 -4.126 -5.792 -10.052 1.00 0.00 C ATOM 917 CD GLU A 57 -4.986 -4.754 -10.748 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.882 -4.168 -10.095 1.00 0.00 O ATOM 919 OE2 GLU A 57 -4.772 -4.520 -11.956 1.00 0.00 O ATOM 0 H GLU A 57 -3.585 -6.405 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.955 -5.102 -8.179 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.313 -7.570 -8.880 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.773 -7.118 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.371 -5.287 -9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.595 -6.380 -10.801 1.00 0.00 H new ATOM 926 N THR A 58 -6.223 -7.315 -6.000 1.00 0.00 N ATOM 927 CA THR A 58 -7.166 -8.125 -5.258 1.00 0.00 C ATOM 928 C THR A 58 -7.731 -7.358 -4.073 1.00 0.00 C ATOM 929 O THR A 58 -8.760 -7.733 -3.515 1.00 0.00 O ATOM 930 CB THR A 58 -6.508 -9.425 -4.781 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.434 -9.137 -3.879 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.976 -10.204 -5.969 1.00 0.00 C ATOM 0 H THR A 58 -5.358 -7.103 -5.504 1.00 0.00 H new ATOM 0 HA THR A 58 -7.988 -8.376 -5.928 1.00 0.00 H new ATOM 0 HB THR A 58 -7.258 -10.023 -4.263 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.078 -8.244 -4.069 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.510 -11.126 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.798 -10.445 -6.644 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.237 -9.602 -6.498 1.00 0.00 H new ATOM 940 N LEU A 59 -7.062 -6.271 -3.708 1.00 0.00 N ATOM 941 CA LEU A 59 -7.498 -5.448 -2.586 1.00 0.00 C ATOM 942 C LEU A 59 -8.837 -4.806 -2.896 1.00 0.00 C ATOM 943 O LEU A 59 -9.079 -4.362 -4.020 1.00 0.00 O ATOM 944 CB LEU A 59 -6.478 -4.352 -2.289 1.00 0.00 C ATOM 945 CG LEU A 59 -5.025 -4.814 -2.230 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.098 -3.641 -1.967 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.853 -5.870 -1.161 1.00 0.00 C ATOM 0 H LEU A 59 -6.216 -5.939 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.593 -6.094 -1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.566 -3.580 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.734 -3.888 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.763 -5.247 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.067 -3.993 -1.929 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.202 -2.909 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.358 -3.178 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.812 -6.190 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.134 -5.456 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.489 -6.725 -1.389 1.00 0.00 H new ATOM 959 N LYS A 60 -9.710 -4.781 -1.909 1.00 0.00 N ATOM 960 CA LYS A 60 -10.988 -4.120 -2.051 1.00 0.00 C ATOM 961 C LYS A 60 -10.781 -2.598 -1.990 1.00 0.00 C ATOM 962 O LYS A 60 -9.890 -2.134 -1.270 1.00 0.00 O ATOM 963 CB LYS A 60 -11.946 -4.617 -0.956 1.00 0.00 C ATOM 964 CG LYS A 60 -11.678 -4.059 0.432 1.00 0.00 C ATOM 965 CD LYS A 60 -12.685 -4.588 1.448 1.00 0.00 C ATOM 966 CE LYS A 60 -12.213 -5.869 2.136 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.681 -6.879 1.181 1.00 0.00 N ATOM 0 H LYS A 60 -9.555 -5.213 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.437 -4.358 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.966 -4.362 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.890 -5.705 -0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.669 -4.326 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.725 -2.970 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.870 -3.823 2.202 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.634 -4.778 0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.439 -5.621 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.044 -6.304 2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.440 -7.750 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.402 -7.090 0.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.829 -6.504 0.718 1.00 0.00 H new ATOM 981 N PRO A 61 -11.544 -1.812 -2.794 1.00 0.00 N ATOM 982 CA PRO A 61 -11.436 -0.348 -2.857 1.00 0.00 C ATOM 983 C PRO A 61 -11.086 0.319 -1.528 1.00 0.00 C ATOM 984 O PRO A 61 -10.173 1.147 -1.469 1.00 0.00 O ATOM 985 CB PRO A 61 -12.833 0.069 -3.296 1.00 0.00 C ATOM 986 CG PRO A 61 -13.325 -1.047 -4.150 1.00 0.00 C ATOM 987 CD PRO A 61 -12.557 -2.293 -3.757 1.00 0.00 C ATOM 0 HA PRO A 61 -10.626 -0.044 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.486 0.224 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.808 1.007 -3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.395 -1.195 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.172 -0.819 -5.205 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.212 -3.038 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.091 -2.762 -4.623 1.00 0.00 H new ATOM 995 N SER A 62 -11.797 -0.053 -0.467 1.00 0.00 N ATOM 996 CA SER A 62 -11.610 0.572 0.836 1.00 0.00 C ATOM 997 C SER A 62 -10.177 0.413 1.340 1.00 0.00 C ATOM 998 O SER A 62 -9.612 1.349 1.896 1.00 0.00 O ATOM 999 CB SER A 62 -12.605 0.008 1.850 1.00 0.00 C ATOM 1000 OG SER A 62 -12.601 -1.405 1.837 1.00 0.00 O ATOM 0 H SER A 62 -12.508 -0.784 -0.486 1.00 0.00 H new ATOM 0 HA SER A 62 -11.798 1.639 0.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.353 0.366 2.848 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.606 0.374 1.623 1.00 0.00 H new ATOM 0 HG SER A 62 -13.489 -1.737 2.085 1.00 0.00 H new ATOM 1006 N THR A 63 -9.582 -0.755 1.121 1.00 0.00 N ATOM 1007 CA THR A 63 -8.207 -0.995 1.540 1.00 0.00 C ATOM 1008 C THR A 63 -7.284 -0.063 0.780 1.00 0.00 C ATOM 1009 O THR A 63 -6.540 0.696 1.384 1.00 0.00 O ATOM 1010 CB THR A 63 -7.772 -2.459 1.299 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.847 -3.349 1.626 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.556 -2.815 2.143 1.00 0.00 C ATOM 0 H THR A 63 -10.028 -1.547 0.658 1.00 0.00 H new ATOM 0 HA THR A 63 -8.147 -0.805 2.612 1.00 0.00 H new ATOM 0 HB THR A 63 -7.511 -2.562 0.246 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.714 -4.205 1.167 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.272 -3.850 1.953 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.727 -2.158 1.882 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.797 -2.693 3.199 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.399 -0.081 -0.544 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.542 0.720 -1.420 1.00 0.00 C ATOM 1022 C LEU A 64 -6.615 2.197 -1.058 1.00 0.00 C ATOM 1023 O LEU A 64 -5.614 2.913 -1.095 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.969 0.521 -2.876 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.093 -0.930 -3.303 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.297 -1.087 -4.181 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.866 -1.374 -4.052 1.00 0.00 C ATOM 0 H LEU A 64 -8.085 -0.648 -1.041 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.512 0.389 -1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.928 1.015 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.246 1.017 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.197 -1.548 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.389 -2.128 -4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.190 -0.791 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.189 -0.455 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.978 -2.417 -4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.739 -0.756 -4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.991 -1.271 -3.410 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.803 2.642 -0.695 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.013 4.037 -0.353 1.00 0.00 C ATOM 1041 C ARG A 65 -7.543 4.338 1.069 1.00 0.00 C ATOM 1042 O ARG A 65 -7.211 5.482 1.387 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.481 4.407 -0.538 1.00 0.00 C ATOM 1044 CG ARG A 65 -9.960 4.262 -1.978 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.117 5.093 -2.933 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.780 5.300 -4.219 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.501 6.307 -5.048 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.686 7.284 -4.665 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -10.061 6.355 -6.246 1.00 0.00 N ATOM 0 H ARG A 65 -8.637 2.059 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.414 4.649 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.092 3.775 0.107 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.633 5.436 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.918 3.213 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.003 4.571 -2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.902 6.060 -2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.160 4.597 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.500 4.634 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.271 7.266 -3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.476 8.052 -5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.707 5.621 -6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.847 7.126 -6.879 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.494 3.313 1.917 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.954 3.467 3.260 1.00 0.00 C ATOM 1065 C GLU A 66 -5.442 3.528 3.178 1.00 0.00 C ATOM 1066 O GLU A 66 -4.802 4.357 3.827 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.368 2.285 4.139 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.812 2.331 4.616 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.068 3.454 5.596 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -8.466 3.439 6.689 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -9.880 4.352 5.295 1.00 0.00 O ATOM 0 H GLU A 66 -7.821 2.372 1.697 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.344 4.385 3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.212 1.361 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.712 2.248 5.009 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.471 2.448 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.066 1.380 5.085 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.890 2.639 2.357 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.459 2.582 2.109 1.00 0.00 C ATOM 1080 C LEU A 67 -2.947 3.953 1.673 1.00 0.00 C ATOM 1081 O LEU A 67 -1.890 4.417 2.106 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.177 1.570 0.997 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.844 0.225 1.179 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.464 -0.717 0.057 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.496 -0.350 2.537 1.00 0.00 C ATOM 0 H LEU A 67 -5.426 1.938 1.846 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.952 2.282 3.026 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.502 1.995 0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.100 1.419 0.927 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.925 0.357 1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.955 -1.679 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.780 -0.294 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.383 -0.858 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.982 -1.318 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.416 -0.474 2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.840 0.328 3.318 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.735 4.595 0.813 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.371 5.862 0.203 1.00 0.00 C ATOM 1099 C GLU A 68 -3.319 6.997 1.206 1.00 0.00 C ATOM 1100 O GLU A 68 -2.259 7.569 1.449 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.375 6.215 -0.882 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.015 7.470 -1.647 1.00 0.00 C ATOM 1103 CD GLU A 68 -4.554 8.756 -1.052 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -5.783 8.880 -0.903 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.746 9.662 -0.758 1.00 0.00 O ATOM 0 H GLU A 68 -4.648 4.245 0.521 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.372 5.738 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.452 5.382 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.358 6.343 -0.429 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.929 7.542 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.386 7.375 -2.667 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.485 7.335 1.757 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.608 8.422 2.725 1.00 0.00 C ATOM 1114 C ARG A 69 -3.597 8.247 3.842 1.00 0.00 C ATOM 1115 O ARG A 69 -3.170 9.206 4.485 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.019 8.438 3.298 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.244 9.546 4.305 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.241 9.129 5.367 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.811 7.926 6.072 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.498 6.788 6.093 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.633 6.678 5.414 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -7.042 5.754 6.787 1.00 0.00 N ATOM 0 H ARG A 69 -5.365 6.865 1.546 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.412 9.369 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.734 8.547 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.222 7.478 3.773 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.297 9.811 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.606 10.438 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.372 9.942 6.082 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.212 8.952 4.904 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.928 7.960 6.581 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.982 7.469 4.873 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -9.156 5.803 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -6.166 5.833 7.303 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.567 4.880 6.805 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.198 7.011 4.033 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.206 6.687 5.031 1.00 0.00 C ATOM 1138 C TYR A 70 -0.814 7.151 4.594 1.00 0.00 C ATOM 1139 O TYR A 70 -0.180 7.942 5.283 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.182 5.189 5.308 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.865 4.754 5.849 1.00 0.00 C ATOM 1142 CD1 TYR A 70 -0.077 3.924 5.103 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.385 5.228 7.063 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.158 3.561 5.528 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.861 4.862 7.514 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.635 4.029 6.740 1.00 0.00 C ATOM 1147 OH TYR A 70 2.884 3.673 7.176 1.00 0.00 O ATOM 0 H TYR A 70 -3.547 6.210 3.507 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.480 7.212 5.946 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.969 4.937 6.018 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.396 4.645 4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.444 3.551 4.158 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.996 5.890 7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.768 2.908 4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.227 5.224 8.463 1.00 0.00 H new ATOM 0 HH TYR A 70 3.251 2.981 6.587 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.324 6.646 3.464 1.00 0.00 N ATOM 1158 CA VAL A 71 1.018 6.999 3.007 1.00 0.00 C ATOM 1159 C VAL A 71 1.096 8.470 2.731 1.00 0.00 C ATOM 1160 O VAL A 71 2.094 9.114 3.017 1.00 0.00 O ATOM 1161 CB VAL A 71 1.443 6.234 1.746 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.402 4.755 2.004 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.558 6.569 0.560 1.00 0.00 C ATOM 0 H VAL A 71 -0.827 6.000 2.856 1.00 0.00 H new ATOM 0 HA VAL A 71 1.701 6.719 3.809 1.00 0.00 H new ATOM 0 HB VAL A 71 2.461 6.539 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.705 4.220 1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.083 4.509 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.388 4.461 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.891 6.007 -0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.474 6.304 0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.620 7.637 0.350 1.00 0.00 H new ATOM 1173 N THR A 72 0.015 8.992 2.203 1.00 0.00 N ATOM 1174 CA THR A 72 -0.117 10.395 1.951 1.00 0.00 C ATOM 1175 C THR A 72 0.134 11.193 3.235 1.00 0.00 C ATOM 1176 O THR A 72 0.714 12.273 3.197 1.00 0.00 O ATOM 1177 CB THR A 72 -1.521 10.665 1.375 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.462 10.777 -0.048 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.172 11.900 1.973 1.00 0.00 C ATOM 0 H THR A 72 -0.802 8.444 1.936 1.00 0.00 H new ATOM 0 HA THR A 72 0.627 10.718 1.223 1.00 0.00 H new ATOM 0 HB THR A 72 -2.144 9.813 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.368 10.726 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.158 12.042 1.531 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.272 11.773 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.553 12.773 1.767 1.00 0.00 H new ATOM 1187 N SER A 73 -0.241 10.623 4.376 1.00 0.00 N ATOM 1188 CA SER A 73 -0.063 11.298 5.647 1.00 0.00 C ATOM 1189 C SER A 73 1.423 11.348 6.000 1.00 0.00 C ATOM 1190 O SER A 73 1.904 12.302 6.616 1.00 0.00 O ATOM 1191 CB SER A 73 -0.864 10.585 6.743 1.00 0.00 C ATOM 1192 OG SER A 73 -0.140 9.505 7.312 1.00 0.00 O ATOM 0 H SER A 73 -0.668 9.699 4.442 1.00 0.00 H new ATOM 0 HA SER A 73 -0.435 12.319 5.568 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.124 11.299 7.524 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.800 10.214 6.325 1.00 0.00 H new ATOM 0 HG SER A 73 0.042 8.834 6.622 1.00 0.00 H new ATOM 1198 N CYS A 74 2.150 10.325 5.569 1.00 0.00 N ATOM 1199 CA CYS A 74 3.566 10.214 5.859 1.00 0.00 C ATOM 1200 C CYS A 74 4.392 10.974 4.824 1.00 0.00 C ATOM 1201 O CYS A 74 5.391 11.608 5.148 1.00 0.00 O ATOM 1202 CB CYS A 74 3.960 8.741 5.879 1.00 0.00 C ATOM 1203 SG CYS A 74 5.639 8.422 6.468 1.00 0.00 S ATOM 0 H CYS A 74 1.775 9.557 5.013 1.00 0.00 H new ATOM 0 HA CYS A 74 3.766 10.656 6.835 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.257 8.199 6.512 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.859 8.337 4.872 1.00 0.00 H new ATOM 0 HG CYS A 74 6.379 9.470 6.258 1.00 0.00 H new ATOM 1209 N LEU A 75 3.959 10.894 3.580 1.00 0.00 N ATOM 1210 CA LEU A 75 4.674 11.503 2.460 1.00 0.00 C ATOM 1211 C LEU A 75 4.429 13.010 2.349 1.00 0.00 C ATOM 1212 O LEU A 75 5.375 13.774 2.156 1.00 0.00 O ATOM 1213 CB LEU A 75 4.269 10.802 1.166 1.00 0.00 C ATOM 1214 CG LEU A 75 4.364 9.282 1.229 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.738 8.658 -0.008 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.808 8.833 1.394 1.00 0.00 C ATOM 0 H LEU A 75 3.104 10.407 3.311 1.00 0.00 H new ATOM 0 HA LEU A 75 5.742 11.376 2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.245 11.082 0.918 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.903 11.162 0.356 1.00 0.00 H new ATOM 0 HG LEU A 75 3.808 8.941 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.815 7.572 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.688 8.945 -0.069 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.262 9.009 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.848 7.745 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.398 9.185 0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.215 9.247 2.317 1.00 0.00 H new ATOM 1228 N ARG A 76 3.170 13.446 2.455 1.00 0.00 N ATOM 1229 CA ARG A 76 2.854 14.869 2.363 1.00 0.00 C ATOM 1230 C ARG A 76 3.566 15.640 3.464 1.00 0.00 C ATOM 1231 O ARG A 76 4.123 16.713 3.231 1.00 0.00 O ATOM 1232 CB ARG A 76 1.349 15.130 2.444 1.00 0.00 C ATOM 1233 CG ARG A 76 0.553 14.549 1.285 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.881 15.052 1.288 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.964 16.499 1.103 1.00 0.00 N ATOM 1236 CZ ARG A 76 -2.095 17.151 0.855 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -3.242 16.488 0.750 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -2.077 18.469 0.705 1.00 0.00 N ATOM 0 H ARG A 76 2.363 12.840 2.603 1.00 0.00 H new ATOM 0 HA ARG A 76 3.201 15.213 1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.969 14.713 3.377 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.180 16.206 2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.032 14.816 0.343 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.558 13.461 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.439 14.554 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.356 14.781 2.231 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.102 17.041 1.168 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.257 15.474 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.107 16.993 0.560 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.197 18.979 0.780 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.943 18.972 0.515 1.00 0.00 H new ATOM 1409 N TRP B 202 3.477 -5.127 -8.948 1.00 0.00 N ATOM 1410 CA TRP B 202 3.857 -4.865 -7.558 1.00 0.00 C ATOM 1411 C TRP B 202 4.144 -6.174 -6.821 1.00 0.00 C ATOM 1412 O TRP B 202 3.673 -6.403 -5.707 1.00 0.00 O ATOM 1413 CB TRP B 202 2.733 -4.085 -6.873 1.00 0.00 C ATOM 1414 CG TRP B 202 3.143 -3.351 -5.635 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.312 -2.679 -5.418 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.359 -3.187 -4.454 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.299 -2.104 -4.171 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.110 -2.404 -3.557 1.00 0.00 C ATOM 1419 CE3 TRP B 202 1.092 -3.626 -4.067 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.633 -2.050 -2.299 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.624 -3.273 -2.818 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.388 -2.494 -1.949 1.00 0.00 C ATOM 0 HA TRP B 202 4.770 -4.270 -7.536 1.00 0.00 H new ATOM 0 HB2 TRP B 202 2.321 -3.368 -7.584 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.931 -4.778 -6.619 1.00 0.00 H new ATOM 0 HD1 TRP B 202 5.127 -2.610 -6.123 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.051 -1.545 -3.767 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.491 -4.229 -4.731 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.223 -1.448 -1.625 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.355 -3.607 -2.507 1.00 0.00 H new ATOM 0 HH2 TRP B 202 0.988 -2.236 -0.980 1.00 0.00 H new ATOM 1433 N THR B 203 4.917 -7.033 -7.461 1.00 0.00 N ATOM 1434 CA THR B 203 5.235 -8.339 -6.913 1.00 0.00 C ATOM 1435 C THR B 203 6.486 -8.299 -6.040 1.00 0.00 C ATOM 1436 O THR B 203 6.955 -7.221 -5.659 1.00 0.00 O ATOM 1437 CB THR B 203 5.401 -9.378 -8.034 1.00 0.00 C ATOM 1438 OG1 THR B 203 6.070 -8.786 -9.157 1.00 0.00 O ATOM 1439 CG2 THR B 203 4.046 -9.921 -8.457 1.00 0.00 C ATOM 0 H THR B 203 5.340 -6.846 -8.370 1.00 0.00 H new ATOM 0 HA THR B 203 4.397 -8.635 -6.281 1.00 0.00 H new ATOM 0 HB THR B 203 6.004 -10.205 -7.659 1.00 0.00 H new ATOM 0 HG1 THR B 203 6.173 -9.455 -9.866 1.00 0.00 H new ATOM 0 HG21 THR B 203 4.180 -10.655 -9.251 1.00 0.00 H new ATOM 0 HG22 THR B 203 3.561 -10.394 -7.603 1.00 0.00 H new ATOM 0 HG23 THR B 203 3.424 -9.103 -8.820 1.00 0.00 H new ATOM 1447 N LEU B 204 6.996 -9.491 -5.713 1.00 0.00 N ATOM 1448 CA LEU B 204 8.133 -9.659 -4.809 1.00 0.00 C ATOM 1449 C LEU B 204 9.263 -8.682 -5.109 1.00 0.00 C ATOM 1450 O LEU B 204 9.821 -8.084 -4.192 1.00 0.00 O ATOM 1451 CB LEU B 204 8.673 -11.100 -4.855 1.00 0.00 C ATOM 1452 CG LEU B 204 9.384 -11.530 -6.149 1.00 0.00 C ATOM 1453 CD1 LEU B 204 10.135 -12.831 -5.928 1.00 0.00 C ATOM 1454 CD2 LEU B 204 8.398 -11.691 -7.298 1.00 0.00 C ATOM 0 H LEU B 204 6.627 -10.371 -6.072 1.00 0.00 H new ATOM 0 HA LEU B 204 7.760 -9.446 -3.807 1.00 0.00 H new ATOM 0 HB2 LEU B 204 9.368 -11.229 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.840 -11.781 -4.682 1.00 0.00 H new ATOM 0 HG LEU B 204 10.091 -10.745 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU B 204 10.634 -13.125 -6.852 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.878 -12.693 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU B 204 9.433 -13.610 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.934 -11.995 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU B 204 7.660 -12.451 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.893 -10.742 -7.480 1.00 0.00 H new ATOM 1466 N GLU B 205 9.580 -8.520 -6.386 1.00 0.00 N ATOM 1467 CA GLU B 205 10.665 -7.648 -6.809 1.00 0.00 C ATOM 1468 C GLU B 205 10.519 -6.266 -6.186 1.00 0.00 C ATOM 1469 O GLU B 205 11.270 -5.891 -5.279 1.00 0.00 O ATOM 1470 CB GLU B 205 10.667 -7.523 -8.332 1.00 0.00 C ATOM 1471 CG GLU B 205 10.726 -8.853 -9.062 1.00 0.00 C ATOM 1472 CD GLU B 205 10.400 -8.717 -10.533 1.00 0.00 C ATOM 1473 OE1 GLU B 205 9.252 -9.024 -10.920 1.00 0.00 O ATOM 1474 OE2 GLU B 205 11.282 -8.289 -11.308 1.00 0.00 O ATOM 0 H GLU B 205 9.095 -8.986 -7.153 1.00 0.00 H new ATOM 0 HA GLU B 205 11.607 -8.085 -6.476 1.00 0.00 H new ATOM 0 HB2 GLU B 205 9.769 -6.989 -8.643 1.00 0.00 H new ATOM 0 HB3 GLU B 205 11.520 -6.916 -8.635 1.00 0.00 H new ATOM 0 HG2 GLU B 205 11.722 -9.282 -8.951 1.00 0.00 H new ATOM 0 HG3 GLU B 205 10.026 -9.549 -8.600 1.00 0.00 H new ATOM 1481 N ARG B 206 9.514 -5.541 -6.651 1.00 0.00 N ATOM 1482 CA ARG B 206 9.306 -4.160 -6.256 1.00 0.00 C ATOM 1483 C ARG B 206 9.014 -4.046 -4.763 1.00 0.00 C ATOM 1484 O ARG B 206 9.825 -3.516 -4.002 1.00 0.00 O ATOM 1485 CB ARG B 206 8.158 -3.569 -7.075 1.00 0.00 C ATOM 1486 CG ARG B 206 7.967 -2.076 -6.888 1.00 0.00 C ATOM 1487 CD ARG B 206 6.983 -1.518 -7.904 1.00 0.00 C ATOM 1488 NE ARG B 206 7.420 -1.771 -9.277 1.00 0.00 N ATOM 1489 CZ ARG B 206 7.070 -1.027 -10.323 1.00 0.00 C ATOM 1490 NH1 ARG B 206 6.225 -0.017 -10.172 1.00 0.00 N ATOM 1491 NH2 ARG B 206 7.551 -1.317 -11.525 1.00 0.00 N ATOM 0 H ARG B 206 8.822 -5.894 -7.312 1.00 0.00 H new ATOM 0 HA ARG B 206 10.220 -3.599 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG B 206 8.337 -3.772 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG B 206 7.233 -4.079 -6.805 1.00 0.00 H new ATOM 0 HG2 ARG B 206 7.605 -1.876 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG B 206 8.926 -1.568 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG B 206 6.003 -1.967 -7.746 1.00 0.00 H new ATOM 0 HD3 ARG B 206 6.870 -0.445 -7.750 1.00 0.00 H new ATOM 0 HE ARG B 206 8.033 -2.569 -9.443 1.00 0.00 H new ATOM 0 HH11 ARG B 206 5.840 0.193 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG B 206 5.960 0.551 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG B 206 8.186 -2.107 -11.643 1.00 0.00 H new ATOM 0 HH22 ARG B 206 7.286 -0.750 -12.331 1.00 0.00 H new ATOM 1505 N LEU B 207 7.875 -4.579 -4.344 1.00 0.00 N ATOM 1506 CA LEU B 207 7.424 -4.418 -2.969 1.00 0.00 C ATOM 1507 C LEU B 207 8.334 -5.143 -1.990 1.00 0.00 C ATOM 1508 O LEU B 207 8.947 -4.516 -1.134 1.00 0.00 O ATOM 1509 CB LEU B 207 5.985 -4.919 -2.808 1.00 0.00 C ATOM 1510 CG LEU B 207 5.473 -4.999 -1.365 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.488 -3.633 -0.700 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.076 -5.580 -1.348 1.00 0.00 C ATOM 0 H LEU B 207 7.248 -5.125 -4.935 1.00 0.00 H new ATOM 0 HA LEU B 207 7.460 -3.353 -2.741 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.324 -4.262 -3.374 1.00 0.00 H new ATOM 0 HB3 LEU B 207 5.911 -5.909 -3.257 1.00 0.00 H new ATOM 0 HG LEU B 207 6.139 -5.651 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.120 -3.722 0.322 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.507 -3.246 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU B 207 4.848 -2.950 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.717 -5.635 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.410 -4.944 -1.932 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.093 -6.581 -1.780 1.00 0.00 H new ATOM 1524 N LYS B 208 8.448 -6.452 -2.147 1.00 0.00 N ATOM 1525 CA LYS B 208 9.068 -7.291 -1.132 1.00 0.00 C ATOM 1526 C LYS B 208 10.545 -6.967 -0.955 1.00 0.00 C ATOM 1527 O LYS B 208 11.039 -6.912 0.174 1.00 0.00 O ATOM 1528 CB LYS B 208 8.885 -8.766 -1.497 1.00 0.00 C ATOM 1529 CG LYS B 208 9.474 -9.751 -0.496 1.00 0.00 C ATOM 1530 CD LYS B 208 9.327 -11.188 -0.989 1.00 0.00 C ATOM 1531 CE LYS B 208 7.884 -11.524 -1.350 1.00 0.00 C ATOM 1532 NZ LYS B 208 7.751 -12.876 -1.959 1.00 0.00 N ATOM 0 H LYS B 208 8.119 -6.958 -2.969 1.00 0.00 H new ATOM 0 HA LYS B 208 8.575 -7.089 -0.181 1.00 0.00 H new ATOM 0 HB2 LYS B 208 7.819 -8.970 -1.602 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.341 -8.944 -2.471 1.00 0.00 H new ATOM 0 HG2 LYS B 208 10.528 -9.524 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS B 208 8.973 -9.640 0.466 1.00 0.00 H new ATOM 0 HD2 LYS B 208 9.963 -11.339 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS B 208 9.677 -11.874 -0.217 1.00 0.00 H new ATOM 0 HE2 LYS B 208 7.266 -11.470 -0.454 1.00 0.00 H new ATOM 0 HE3 LYS B 208 7.503 -10.776 -2.045 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 7.229 -12.803 -2.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 8.696 -13.270 -2.140 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 7.235 -13.501 -1.307 1.00 0.00 H new ATOM 1546 N ARG B 209 11.255 -6.722 -2.052 1.00 0.00 N ATOM 1547 CA ARG B 209 12.690 -6.536 -1.948 1.00 0.00 C ATOM 1548 C ARG B 209 13.022 -5.126 -1.471 1.00 0.00 C ATOM 1549 O ARG B 209 14.004 -4.929 -0.754 1.00 0.00 O ATOM 1550 CB ARG B 209 13.400 -6.848 -3.267 1.00 0.00 C ATOM 1551 CG ARG B 209 13.053 -8.212 -3.868 1.00 0.00 C ATOM 1552 CD ARG B 209 12.795 -9.287 -2.813 1.00 0.00 C ATOM 1553 NE ARG B 209 13.853 -9.354 -1.797 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.737 -10.014 -0.641 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.631 -10.696 -0.372 1.00 0.00 N ATOM 1556 NH2 ARG B 209 14.731 -9.995 0.238 1.00 0.00 N ATOM 0 H ARG B 209 10.871 -6.650 -2.994 1.00 0.00 H new ATOM 0 HA ARG B 209 13.058 -7.244 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG B 209 13.151 -6.072 -3.991 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.477 -6.800 -3.105 1.00 0.00 H new ATOM 0 HG2 ARG B 209 12.169 -8.110 -4.497 1.00 0.00 H new ATOM 0 HG3 ARG B 209 13.869 -8.535 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG B 209 11.841 -9.089 -2.325 1.00 0.00 H new ATOM 0 HD3 ARG B 209 12.707 -10.257 -3.303 1.00 0.00 H new ATOM 0 HE ARG B 209 14.729 -8.867 -1.985 1.00 0.00 H new ATOM 0 HH11 ARG B 209 11.868 -10.717 -1.048 1.00 0.00 H new ATOM 0 HH12 ARG B 209 12.544 -11.199 0.511 1.00 0.00 H new ATOM 0 HH21 ARG B 209 15.585 -9.476 0.031 1.00 0.00 H new ATOM 0 HH22 ARG B 209 14.641 -10.499 1.120 1.00 0.00 H new ATOM 1570 N LYS B 210 12.200 -4.149 -1.845 1.00 0.00 N ATOM 1571 CA LYS B 210 12.403 -2.781 -1.376 1.00 0.00 C ATOM 1572 C LYS B 210 11.972 -2.665 0.087 1.00 0.00 C ATOM 1573 O LYS B 210 12.579 -1.937 0.876 1.00 0.00 O ATOM 1574 CB LYS B 210 11.609 -1.794 -2.240 1.00 0.00 C ATOM 1575 CG LYS B 210 11.944 -0.333 -1.978 1.00 0.00 C ATOM 1576 CD LYS B 210 13.362 0.002 -2.415 1.00 0.00 C ATOM 1577 CE LYS B 210 13.691 1.466 -2.176 1.00 0.00 C ATOM 1578 NZ LYS B 210 15.057 1.812 -2.654 1.00 0.00 N ATOM 0 H LYS B 210 11.398 -4.275 -2.463 1.00 0.00 H new ATOM 0 HA LYS B 210 13.462 -2.536 -1.457 1.00 0.00 H new ATOM 0 HB2 LYS B 210 11.795 -2.016 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS B 210 10.544 -1.949 -2.065 1.00 0.00 H new ATOM 0 HG2 LYS B 210 11.238 0.304 -2.511 1.00 0.00 H new ATOM 0 HG3 LYS B 210 11.829 -0.117 -0.916 1.00 0.00 H new ATOM 0 HD2 LYS B 210 14.069 -0.624 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS B 210 13.481 -0.230 -3.473 1.00 0.00 H new ATOM 0 HE2 LYS B 210 12.958 2.091 -2.687 1.00 0.00 H new ATOM 0 HE3 LYS B 210 13.612 1.687 -1.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 15.243 2.819 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 15.758 1.234 -2.149 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 15.125 1.625 -3.675 1.00 0.00 H new ATOM 1592 N TYR B 211 10.921 -3.399 0.428 1.00 0.00 N ATOM 1593 CA TYR B 211 10.390 -3.445 1.785 1.00 0.00 C ATOM 1594 C TYR B 211 11.445 -3.953 2.760 1.00 0.00 C ATOM 1595 O TYR B 211 11.830 -3.251 3.696 1.00 0.00 O ATOM 1596 CB TYR B 211 9.157 -4.364 1.802 1.00 0.00 C ATOM 1597 CG TYR B 211 8.437 -4.494 3.132 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.127 -4.069 3.255 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.051 -5.061 4.246 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.445 -4.199 4.450 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.378 -5.188 5.445 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.074 -4.755 5.541 1.00 0.00 C ATOM 1603 OH TYR B 211 6.393 -4.890 6.729 1.00 0.00 O ATOM 0 H TYR B 211 10.409 -3.983 -0.233 1.00 0.00 H new ATOM 0 HA TYR B 211 10.105 -2.440 2.098 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.446 -3.997 1.062 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.466 -5.359 1.481 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.629 -3.629 2.404 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.071 -5.407 4.171 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.421 -3.865 4.528 1.00 0.00 H new ATOM 0 HE2 TYR B 211 8.871 -5.624 6.302 1.00 0.00 H new ATOM 0 HH TYR B 211 6.980 -5.301 7.398 1.00 0.00 H new