USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 407 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 20 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.456) USER MOD Set 1.2: A 33 TYR OH : rot -132:sc= 0.853 USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 32 HIS : no HE2:sc= -0.0645 K(o=-0.065,f=-0.56) USER MOD Set 3.1: A 12 LYS NZ :NH3+ 164:sc= 1.1 (180deg=0) USER MOD Set 3.2: A 13 ASN : amide:sc= 0.641 K(o=1.7,f=-7.2!) USER MOD Single : A 16 SER OG : rot 82:sc= 0.843 USER MOD Single : A 25 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc=-0.00658 (180deg=-0.163) USER MOD Single : A 36 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.3) USER MOD Single : A 37 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.4) USER MOD Single : A 39 THR OG1 : rot 87:sc= 0.516 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= 0.658 (180deg=-0.517) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 176:sc= 0 (180deg=-0.025) USER MOD Single : A 51 LYS NZ :NH3+ -154:sc= 0.108 (180deg=0.0262) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 6 -7.819 5.331 -1.288 1.00 0.00 N ATOM 101 CA TRP A 6 -7.749 3.890 -1.036 1.00 0.00 C ATOM 102 C TRP A 6 -8.987 3.413 -0.263 1.00 0.00 C ATOM 103 O TRP A 6 -9.934 4.176 -0.047 1.00 0.00 O ATOM 104 CB TRP A 6 -6.459 3.564 -0.253 1.00 0.00 C ATOM 105 CG TRP A 6 -5.183 3.661 -1.035 1.00 0.00 C ATOM 106 CD1 TRP A 6 -4.774 4.714 -1.767 1.00 0.00 C ATOM 107 CD2 TRP A 6 -4.116 2.672 -1.155 1.00 0.00 C ATOM 108 NE1 TRP A 6 -3.548 4.469 -2.338 1.00 0.00 N ATOM 109 CE2 TRP A 6 -3.087 3.212 -1.989 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.903 1.372 -0.639 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.921 2.505 -2.293 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -2.729 0.654 -0.949 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.742 1.220 -1.772 1.00 0.00 C ATOM 0 HA TRP A 6 -7.728 3.364 -1.990 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -6.393 4.239 0.600 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.543 2.553 0.146 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -5.334 5.629 -1.889 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -3.046 5.124 -2.937 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.649 0.924 0.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.165 2.947 -2.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.588 -0.340 -0.550 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.846 0.663 -2.002 1.00 0.00 H new ATOM 124 N LEU A 7 -8.970 2.143 0.157 1.00 0.00 N ATOM 125 CA LEU A 7 -10.039 1.563 0.949 1.00 0.00 C ATOM 126 C LEU A 7 -9.439 0.546 1.918 1.00 0.00 C ATOM 127 O LEU A 7 -8.346 0.031 1.684 1.00 0.00 O ATOM 128 CB LEU A 7 -11.118 0.937 0.046 1.00 0.00 C ATOM 129 CG LEU A 7 -10.494 0.000 -1.000 1.00 0.00 C ATOM 130 CD1 LEU A 7 -11.365 -1.251 -1.142 1.00 0.00 C ATOM 131 CD2 LEU A 7 -10.418 0.711 -2.357 1.00 0.00 C ATOM 0 H LEU A 7 -8.210 1.495 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.536 2.343 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -11.829 0.381 0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.677 1.726 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.490 -0.278 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -10.925 -1.918 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.424 -1.764 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.366 -0.963 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.975 0.042 -3.094 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.421 0.991 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.804 1.607 -2.265 1.00 0.00 H new ATOM 143 N TRP A 8 -10.159 0.284 3.017 1.00 0.00 N ATOM 144 CA TRP A 8 -9.698 -0.598 4.086 1.00 0.00 C ATOM 145 C TRP A 8 -9.064 -1.888 3.550 1.00 0.00 C ATOM 146 O TRP A 8 -8.038 -2.318 4.067 1.00 0.00 O ATOM 147 CB TRP A 8 -10.872 -0.913 5.021 1.00 0.00 C ATOM 148 CG TRP A 8 -12.031 -1.617 4.381 1.00 0.00 C ATOM 149 CD1 TRP A 8 -12.989 -1.037 3.636 1.00 0.00 C ATOM 150 CD2 TRP A 8 -12.384 -3.034 4.427 1.00 0.00 C ATOM 151 NE1 TRP A 8 -13.909 -1.963 3.209 1.00 0.00 N ATOM 152 CE2 TRP A 8 -13.585 -3.226 3.671 1.00 0.00 C ATOM 153 CE3 TRP A 8 -11.816 -4.184 5.027 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -14.185 -4.479 3.521 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -12.421 -5.451 4.877 1.00 0.00 C ATOM 156 CH2 TRP A 8 -13.600 -5.598 4.125 1.00 0.00 C ATOM 0 H TRP A 8 -11.083 0.683 3.186 1.00 0.00 H new ATOM 0 HA TRP A 8 -8.915 -0.079 4.639 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.505 -1.527 5.844 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.230 0.021 5.455 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -13.029 0.017 3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -14.721 -1.749 2.630 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -10.909 -4.091 5.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -15.092 -4.583 2.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -11.974 -6.316 5.345 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -14.053 -6.572 4.014 1.00 0.00 H new ATOM 167 N GLU A 9 -9.667 -2.509 2.528 1.00 0.00 N ATOM 168 CA GLU A 9 -9.154 -3.761 1.976 1.00 0.00 C ATOM 169 C GLU A 9 -7.720 -3.588 1.474 1.00 0.00 C ATOM 170 O GLU A 9 -6.864 -4.428 1.743 1.00 0.00 O ATOM 171 CB GLU A 9 -10.055 -4.236 0.833 1.00 0.00 C ATOM 172 CG GLU A 9 -11.480 -4.443 1.345 1.00 0.00 C ATOM 173 CD GLU A 9 -12.359 -5.055 0.269 1.00 0.00 C ATOM 174 OE1 GLU A 9 -12.235 -6.279 0.061 1.00 0.00 O ATOM 175 OE2 GLU A 9 -13.141 -4.283 -0.329 1.00 0.00 O ATOM 0 H GLU A 9 -10.510 -2.162 2.070 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.152 -4.510 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.052 -3.502 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.670 -5.167 0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.465 -5.092 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.899 -3.488 1.663 1.00 0.00 H new ATOM 182 N GLU A 10 -7.460 -2.507 0.742 1.00 0.00 N ATOM 183 CA GLU A 10 -6.141 -2.251 0.193 1.00 0.00 C ATOM 184 C GLU A 10 -5.186 -1.809 1.301 1.00 0.00 C ATOM 185 O GLU A 10 -4.028 -2.220 1.322 1.00 0.00 O ATOM 186 CB GLU A 10 -6.243 -1.176 -0.891 1.00 0.00 C ATOM 187 CG GLU A 10 -7.119 -1.678 -2.043 1.00 0.00 C ATOM 188 CD GLU A 10 -7.180 -0.648 -3.162 1.00 0.00 C ATOM 189 OE1 GLU A 10 -7.291 0.553 -2.830 1.00 0.00 O ATOM 190 OE2 GLU A 10 -7.109 -1.076 -4.333 1.00 0.00 O ATOM 0 H GLU A 10 -8.153 -1.794 0.517 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.748 -3.166 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.667 -0.263 -0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.249 -0.925 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.720 -2.617 -2.428 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.125 -1.885 -1.678 1.00 0.00 H new ATOM 197 N ASP A 11 -5.669 -0.969 2.217 1.00 0.00 N ATOM 198 CA ASP A 11 -4.848 -0.454 3.301 1.00 0.00 C ATOM 199 C ASP A 11 -4.336 -1.597 4.184 1.00 0.00 C ATOM 200 O ASP A 11 -3.133 -1.694 4.423 1.00 0.00 O ATOM 201 CB ASP A 11 -5.662 0.551 4.123 1.00 0.00 C ATOM 202 CG ASP A 11 -6.046 1.767 3.282 1.00 0.00 C ATOM 203 OD1 ASP A 11 -5.182 2.207 2.487 1.00 0.00 O ATOM 204 OD2 ASP A 11 -7.192 2.236 3.451 1.00 0.00 O ATOM 0 H ASP A 11 -6.632 -0.632 2.225 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.979 0.053 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.563 0.069 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.082 0.872 4.988 1.00 0.00 H new ATOM 209 N LYS A 12 -5.237 -2.461 4.673 1.00 0.00 N ATOM 210 CA LYS A 12 -4.837 -3.568 5.537 1.00 0.00 C ATOM 211 C LYS A 12 -3.949 -4.551 4.767 1.00 0.00 C ATOM 212 O LYS A 12 -3.053 -5.157 5.352 1.00 0.00 O ATOM 213 CB LYS A 12 -6.073 -4.257 6.146 1.00 0.00 C ATOM 214 CG LYS A 12 -6.961 -4.885 5.062 1.00 0.00 C ATOM 215 CD LYS A 12 -6.722 -6.397 4.991 1.00 0.00 C ATOM 216 CE LYS A 12 -7.720 -7.028 4.017 1.00 0.00 C ATOM 217 NZ LYS A 12 -7.334 -8.410 3.685 1.00 0.00 N ATOM 0 H LYS A 12 -6.238 -2.411 4.484 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.248 -3.176 6.366 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.752 -5.028 6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.652 -3.530 6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.010 -4.685 5.281 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.744 -4.430 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.702 -6.599 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.834 -6.840 5.981 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.717 -7.021 4.458 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.770 -6.432 3.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.143 -8.902 3.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.539 -8.397 3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.047 -8.908 4.552 1.00 0.00 H new ATOM 231 N ASN A 13 -4.184 -4.704 3.452 1.00 0.00 N ATOM 232 CA ASN A 13 -3.364 -5.581 2.624 1.00 0.00 C ATOM 233 C ASN A 13 -1.943 -5.031 2.570 1.00 0.00 C ATOM 234 O ASN A 13 -0.982 -5.778 2.733 1.00 0.00 O ATOM 235 CB ASN A 13 -3.955 -5.671 1.210 1.00 0.00 C ATOM 236 CG ASN A 13 -5.072 -6.711 1.122 1.00 0.00 C ATOM 237 OD1 ASN A 13 -5.296 -7.481 2.056 1.00 0.00 O ATOM 238 ND2 ASN A 13 -5.775 -6.735 -0.010 1.00 0.00 N ATOM 0 H ASN A 13 -4.934 -4.230 2.949 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.347 -6.582 3.055 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.344 -4.696 0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.166 -5.926 0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.531 -7.409 -0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.557 -6.079 -0.760 1.00 0.00 H new ATOM 245 N LEU A 14 -1.820 -3.718 2.343 1.00 0.00 N ATOM 246 CA LEU A 14 -0.530 -3.054 2.279 1.00 0.00 C ATOM 247 C LEU A 14 0.190 -3.204 3.617 1.00 0.00 C ATOM 248 O LEU A 14 1.362 -3.568 3.654 1.00 0.00 O ATOM 249 CB LEU A 14 -0.749 -1.576 1.933 1.00 0.00 C ATOM 250 CG LEU A 14 0.583 -0.903 1.571 1.00 0.00 C ATOM 251 CD1 LEU A 14 1.016 -1.323 0.162 1.00 0.00 C ATOM 252 CD2 LEU A 14 0.405 0.615 1.612 1.00 0.00 C ATOM 0 H LEU A 14 -2.615 -3.095 2.200 1.00 0.00 H new ATOM 0 HA LEU A 14 0.092 -3.508 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.444 -1.492 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.204 -1.062 2.780 1.00 0.00 H new ATOM 0 HG LEU A 14 1.347 -1.209 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.962 -0.841 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.140 -2.405 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.255 -1.022 -0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.348 1.099 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.361 0.911 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.102 0.919 2.614 1.00 0.00 H new ATOM 264 N ARG A 15 -0.518 -2.927 4.716 1.00 0.00 N ATOM 265 CA ARG A 15 0.050 -3.046 6.050 1.00 0.00 C ATOM 266 C ARG A 15 0.548 -4.475 6.275 1.00 0.00 C ATOM 267 O ARG A 15 1.630 -4.676 6.823 1.00 0.00 O ATOM 268 CB ARG A 15 -1.017 -2.666 7.084 1.00 0.00 C ATOM 269 CG ARG A 15 -0.397 -2.619 8.483 1.00 0.00 C ATOM 270 CD ARG A 15 -1.410 -2.032 9.471 1.00 0.00 C ATOM 271 NE ARG A 15 -0.792 -1.790 10.783 1.00 0.00 N ATOM 272 CZ ARG A 15 -0.024 -0.715 11.053 1.00 0.00 C ATOM 273 NH1 ARG A 15 0.240 0.188 10.098 1.00 0.00 N ATOM 274 NH2 ARG A 15 0.478 -0.550 12.285 1.00 0.00 N ATOM 0 H ARG A 15 -1.490 -2.618 4.701 1.00 0.00 H new ATOM 0 HA ARG A 15 0.899 -2.371 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.447 -1.696 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.831 -3.391 7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.105 -3.621 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.509 -2.013 8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.809 -1.098 9.076 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.252 -2.716 9.583 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.952 -2.470 11.527 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.141 0.064 9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.822 0.999 10.309 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.278 -1.236 13.013 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.060 0.261 12.494 1.00 0.00 H new ATOM 288 N SER A 16 -0.246 -5.463 5.845 1.00 0.00 N ATOM 289 CA SER A 16 0.104 -6.869 6.006 1.00 0.00 C ATOM 290 C SER A 16 0.985 -7.354 4.846 1.00 0.00 C ATOM 291 O SER A 16 1.148 -8.561 4.669 1.00 0.00 O ATOM 292 CB SER A 16 -1.184 -7.695 6.073 1.00 0.00 C ATOM 293 OG SER A 16 -2.042 -7.157 7.056 1.00 0.00 O ATOM 0 H SER A 16 -1.140 -5.307 5.380 1.00 0.00 H new ATOM 0 HA SER A 16 0.673 -6.991 6.928 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.680 -7.693 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.950 -8.733 6.309 1.00 0.00 H new ATOM 0 HG SER A 16 -2.534 -6.397 6.680 1.00 0.00 H new ATOM 299 N GLY A 17 1.548 -6.424 4.061 1.00 0.00 N ATOM 300 CA GLY A 17 2.397 -6.766 2.928 1.00 0.00 C ATOM 301 C GLY A 17 3.791 -6.185 3.126 1.00 0.00 C ATOM 302 O GLY A 17 4.780 -6.912 3.079 1.00 0.00 O ATOM 0 H GLY A 17 1.424 -5.421 4.199 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.457 -7.849 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.961 -6.380 2.007 1.00 0.00 H new ATOM 306 N VAL A 18 3.865 -4.873 3.349 1.00 0.00 N ATOM 307 CA VAL A 18 5.132 -4.192 3.543 1.00 0.00 C ATOM 308 C VAL A 18 5.845 -4.751 4.770 1.00 0.00 C ATOM 309 O VAL A 18 7.030 -5.059 4.709 1.00 0.00 O ATOM 310 CB VAL A 18 4.887 -2.688 3.697 1.00 0.00 C ATOM 311 CG1 VAL A 18 6.221 -1.980 3.931 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.242 -2.135 2.425 1.00 0.00 C ATOM 0 H VAL A 18 3.050 -4.261 3.399 1.00 0.00 H new ATOM 0 HA VAL A 18 5.769 -4.357 2.674 1.00 0.00 H new ATOM 0 HB VAL A 18 4.222 -2.517 4.544 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.050 -0.909 4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.685 -2.368 4.838 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.881 -2.157 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.070 -1.065 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.905 -2.307 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.291 -2.639 2.251 1.00 0.00 H new ATOM 322 N ARG A 19 5.122 -4.877 5.887 1.00 0.00 N ATOM 323 CA ARG A 19 5.701 -5.390 7.118 1.00 0.00 C ATOM 324 C ARG A 19 6.006 -6.887 6.966 1.00 0.00 C ATOM 325 O ARG A 19 6.969 -7.384 7.546 1.00 0.00 O ATOM 326 CB ARG A 19 4.728 -5.136 8.283 1.00 0.00 C ATOM 327 CG ARG A 19 5.473 -4.519 9.478 1.00 0.00 C ATOM 328 CD ARG A 19 6.523 -5.493 10.029 1.00 0.00 C ATOM 329 NE ARG A 19 5.916 -6.782 10.388 1.00 0.00 N ATOM 330 CZ ARG A 19 6.629 -7.909 10.567 1.00 0.00 C ATOM 331 NH1 ARG A 19 7.967 -7.882 10.491 1.00 0.00 N ATOM 332 NH2 ARG A 19 5.999 -9.062 10.825 1.00 0.00 N ATOM 0 H ARG A 19 4.135 -4.629 5.957 1.00 0.00 H new ATOM 0 HA ARG A 19 6.638 -4.875 7.331 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.930 -4.468 7.960 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.258 -6.072 8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.957 -3.592 9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.761 -4.263 10.263 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.303 -5.650 9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.002 -5.057 10.906 1.00 0.00 H new ATOM 0 HE ARG A 19 4.904 -6.825 10.507 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.449 -7.004 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 19 8.503 -8.739 10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.981 -9.085 10.885 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.537 -9.918 10.961 1.00 0.00 H new ATOM 346 N LYS A 20 5.184 -7.601 6.185 1.00 0.00 N ATOM 347 CA LYS A 20 5.370 -9.029 5.965 1.00 0.00 C ATOM 348 C LYS A 20 6.684 -9.276 5.222 1.00 0.00 C ATOM 349 O LYS A 20 7.580 -9.928 5.752 1.00 0.00 O ATOM 350 CB LYS A 20 4.175 -9.578 5.174 1.00 0.00 C ATOM 351 CG LYS A 20 4.319 -11.095 4.976 1.00 0.00 C ATOM 352 CD LYS A 20 3.253 -11.602 3.990 1.00 0.00 C ATOM 353 CE LYS A 20 2.043 -12.166 4.746 1.00 0.00 C ATOM 354 NZ LYS A 20 1.372 -11.126 5.545 1.00 0.00 N ATOM 0 H LYS A 20 4.382 -7.204 5.696 1.00 0.00 H new ATOM 0 HA LYS A 20 5.423 -9.548 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.248 -9.360 5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.112 -9.082 4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.315 -11.328 4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.213 -11.606 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.935 -10.787 3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.680 -12.373 3.349 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.336 -12.593 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.366 -12.976 5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.425 -11.457 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.932 -10.929 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.284 -10.257 4.980 1.00 0.00 H new ATOM 368 N TYR A 21 6.795 -8.756 3.992 1.00 0.00 N ATOM 369 CA TYR A 21 7.994 -8.932 3.187 1.00 0.00 C ATOM 370 C TYR A 21 9.090 -7.988 3.684 1.00 0.00 C ATOM 371 O TYR A 21 10.055 -8.429 4.306 1.00 0.00 O ATOM 372 CB TYR A 21 7.668 -8.670 1.710 1.00 0.00 C ATOM 373 CG TYR A 21 6.734 -9.703 1.104 1.00 0.00 C ATOM 374 CD1 TYR A 21 7.216 -10.986 0.782 1.00 0.00 C ATOM 375 CD2 TYR A 21 5.387 -9.379 0.854 1.00 0.00 C ATOM 376 CE1 TYR A 21 6.353 -11.940 0.212 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.526 -10.332 0.285 1.00 0.00 C ATOM 378 CZ TYR A 21 5.009 -11.611 -0.038 1.00 0.00 C ATOM 379 OH TYR A 21 4.169 -12.533 -0.593 1.00 0.00 O ATOM 0 H TYR A 21 6.062 -8.210 3.539 1.00 0.00 H new ATOM 0 HA TYR A 21 8.355 -9.956 3.282 1.00 0.00 H new ATOM 0 HB2 TYR A 21 7.216 -7.683 1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.596 -8.651 1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.249 -11.238 0.973 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.015 -8.396 1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.723 -12.925 -0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.493 -10.081 0.096 1.00 0.00 H new ATOM 0 HH TYR A 21 3.277 -12.142 -0.697 1.00 0.00 H new ATOM 389 N GLY A 22 8.935 -6.684 3.412 1.00 0.00 N ATOM 390 CA GLY A 22 9.900 -5.684 3.838 1.00 0.00 C ATOM 391 C GLY A 22 9.803 -4.445 2.952 1.00 0.00 C ATOM 392 O GLY A 22 9.484 -4.549 1.765 1.00 0.00 O ATOM 0 H GLY A 22 8.142 -6.305 2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.717 -5.412 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.908 -6.097 3.789 1.00 0.00 H new ATOM 396 N GLU A 23 10.084 -3.272 3.531 1.00 0.00 N ATOM 397 CA GLU A 23 10.046 -2.015 2.798 1.00 0.00 C ATOM 398 C GLU A 23 11.128 -2.032 1.722 1.00 0.00 C ATOM 399 O GLU A 23 12.309 -2.189 2.033 1.00 0.00 O ATOM 400 CB GLU A 23 10.256 -0.845 3.781 1.00 0.00 C ATOM 401 CG GLU A 23 9.131 0.194 3.638 1.00 0.00 C ATOM 402 CD GLU A 23 9.549 1.350 2.734 1.00 0.00 C ATOM 403 OE1 GLU A 23 10.194 1.069 1.698 1.00 0.00 O ATOM 404 OE2 GLU A 23 9.210 2.502 3.093 1.00 0.00 O ATOM 0 H GLU A 23 10.341 -3.174 4.513 1.00 0.00 H new ATOM 0 HA GLU A 23 9.078 -1.886 2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.281 -1.222 4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.220 -0.373 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.241 -0.285 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.862 0.579 4.622 1.00 0.00 H new ATOM 411 N GLY A 24 10.718 -1.879 0.457 1.00 0.00 N ATOM 412 CA GLY A 24 11.637 -1.901 -0.671 1.00 0.00 C ATOM 413 C GLY A 24 11.232 -2.999 -1.650 1.00 0.00 C ATOM 414 O GLY A 24 11.461 -2.872 -2.852 1.00 0.00 O ATOM 0 H GLY A 24 9.743 -1.737 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.633 -0.934 -1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.654 -2.073 -0.319 1.00 0.00 H new ATOM 418 N ASN A 25 10.618 -4.079 -1.135 1.00 0.00 N ATOM 419 CA ASN A 25 10.167 -5.194 -1.967 1.00 0.00 C ATOM 420 C ASN A 25 8.839 -4.832 -2.636 1.00 0.00 C ATOM 421 O ASN A 25 7.919 -5.643 -2.673 1.00 0.00 O ATOM 422 CB ASN A 25 10.002 -6.443 -1.089 1.00 0.00 C ATOM 423 CG ASN A 25 11.313 -6.817 -0.403 1.00 0.00 C ATOM 424 OD1 ASN A 25 12.150 -7.496 -0.988 1.00 0.00 O ATOM 425 ND2 ASN A 25 11.487 -6.373 0.841 1.00 0.00 N ATOM 0 H ASN A 25 10.425 -4.197 -0.140 1.00 0.00 H new ATOM 0 HA ASN A 25 10.903 -5.399 -2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.234 -6.262 -0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.659 -7.277 -1.701 1.00 0.00 H new ATOM 0 HD21 ASN A 25 12.345 -6.595 1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.763 -5.811 1.288 1.00 0.00 H new ATOM 432 N TRP A 26 8.744 -3.605 -3.160 1.00 0.00 N ATOM 433 CA TRP A 26 7.526 -3.109 -3.780 1.00 0.00 C ATOM 434 C TRP A 26 7.154 -3.947 -4.999 1.00 0.00 C ATOM 435 O TRP A 26 5.975 -4.197 -5.234 1.00 0.00 O ATOM 436 CB TRP A 26 7.730 -1.641 -4.148 1.00 0.00 C ATOM 437 CG TRP A 26 7.954 -0.757 -2.962 1.00 0.00 C ATOM 438 CD1 TRP A 26 9.070 -0.052 -2.697 1.00 0.00 C ATOM 439 CD2 TRP A 26 7.058 -0.488 -1.844 1.00 0.00 C ATOM 440 NE1 TRP A 26 8.952 0.624 -1.510 1.00 0.00 N ATOM 441 CE2 TRP A 26 7.717 0.398 -0.936 1.00 0.00 C ATOM 442 CE3 TRP A 26 5.752 -0.903 -1.496 1.00 0.00 C ATOM 443 CZ2 TRP A 26 7.116 0.845 0.243 1.00 0.00 C ATOM 444 CZ3 TRP A 26 5.143 -0.452 -0.307 1.00 0.00 C ATOM 445 CH2 TRP A 26 5.823 0.421 0.558 1.00 0.00 C ATOM 0 H TRP A 26 9.512 -2.934 -3.163 1.00 0.00 H new ATOM 0 HA TRP A 26 6.695 -3.190 -3.079 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.584 -1.558 -4.820 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.857 -1.287 -4.696 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.942 -0.023 -3.334 1.00 0.00 H new ATOM 0 HE1 TRP A 26 9.679 1.214 -1.106 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.214 -1.574 -2.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.647 1.513 0.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.145 -0.781 -0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.347 0.764 1.465 1.00 0.00 H new ATOM 456 N SER A 27 8.154 -4.381 -5.771 1.00 0.00 N ATOM 457 CA SER A 27 7.915 -5.198 -6.951 1.00 0.00 C ATOM 458 C SER A 27 7.187 -6.485 -6.552 1.00 0.00 C ATOM 459 O SER A 27 6.157 -6.826 -7.134 1.00 0.00 O ATOM 460 CB SER A 27 9.254 -5.513 -7.623 1.00 0.00 C ATOM 461 OG SER A 27 9.035 -6.301 -8.774 1.00 0.00 O ATOM 0 H SER A 27 9.138 -4.176 -5.594 1.00 0.00 H new ATOM 0 HA SER A 27 7.286 -4.657 -7.657 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.762 -4.588 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.906 -6.042 -6.927 1.00 0.00 H new ATOM 0 HG SER A 27 9.894 -6.500 -9.203 1.00 0.00 H new ATOM 467 N LYS A 28 7.726 -7.196 -5.554 1.00 0.00 N ATOM 468 CA LYS A 28 7.141 -8.443 -5.085 1.00 0.00 C ATOM 469 C LYS A 28 5.773 -8.184 -4.458 1.00 0.00 C ATOM 470 O LYS A 28 4.811 -8.871 -4.779 1.00 0.00 O ATOM 471 CB LYS A 28 8.086 -9.096 -4.070 1.00 0.00 C ATOM 472 CG LYS A 28 9.276 -9.735 -4.795 1.00 0.00 C ATOM 473 CD LYS A 28 8.881 -11.119 -5.322 1.00 0.00 C ATOM 474 CE LYS A 28 10.046 -11.718 -6.113 1.00 0.00 C ATOM 475 NZ LYS A 28 9.693 -13.044 -6.653 1.00 0.00 N ATOM 0 H LYS A 28 8.573 -6.920 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 28 7.003 -9.119 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.441 -8.350 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.550 -9.853 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.595 -9.099 -5.621 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.123 -9.823 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.617 -11.774 -4.492 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.999 -11.039 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.317 -11.049 -6.930 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.921 -11.805 -5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.500 -13.428 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.457 -13.686 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.873 -12.954 -7.286 1.00 0.00 H new ATOM 489 N ILE A 29 5.690 -7.194 -3.563 1.00 0.00 N ATOM 490 CA ILE A 29 4.440 -6.859 -2.891 1.00 0.00 C ATOM 491 C ILE A 29 3.338 -6.629 -3.928 1.00 0.00 C ATOM 492 O ILE A 29 2.255 -7.193 -3.810 1.00 0.00 O ATOM 493 CB ILE A 29 4.654 -5.613 -2.014 1.00 0.00 C ATOM 494 CG1 ILE A 29 5.471 -6.001 -0.771 1.00 0.00 C ATOM 495 CG2 ILE A 29 3.298 -5.042 -1.578 1.00 0.00 C ATOM 496 CD1 ILE A 29 6.104 -4.757 -0.146 1.00 0.00 C ATOM 0 H ILE A 29 6.481 -6.611 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 29 4.128 -7.683 -2.250 1.00 0.00 H new ATOM 0 HB ILE A 29 5.192 -4.857 -2.586 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.827 -6.495 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.248 -6.714 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.457 -4.160 -0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.719 -4.766 -2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.753 -5.794 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.680 -5.045 0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.763 -4.281 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.320 -4.058 0.146 1.00 0.00 H new ATOM 508 N LEU A 30 3.619 -5.803 -4.941 1.00 0.00 N ATOM 509 CA LEU A 30 2.651 -5.495 -5.987 1.00 0.00 C ATOM 510 C LEU A 30 2.257 -6.768 -6.743 1.00 0.00 C ATOM 511 O LEU A 30 1.098 -6.933 -7.113 1.00 0.00 O ATOM 512 CB LEU A 30 3.269 -4.458 -6.939 1.00 0.00 C ATOM 513 CG LEU A 30 2.306 -4.118 -8.092 1.00 0.00 C ATOM 514 CD1 LEU A 30 0.992 -3.551 -7.542 1.00 0.00 C ATOM 515 CD2 LEU A 30 2.961 -3.079 -9.004 1.00 0.00 C ATOM 0 H LEU A 30 4.518 -5.335 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 30 1.744 -5.083 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.512 -3.551 -6.385 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.204 -4.844 -7.344 1.00 0.00 H new ATOM 0 HG LEU A 30 2.090 -5.027 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.323 -3.316 -8.369 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.521 -4.289 -6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.197 -2.645 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.284 -2.834 -9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.178 -2.178 -8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.888 -3.484 -9.409 1.00 0.00 H new ATOM 527 N LEU A 31 3.224 -7.661 -6.974 1.00 0.00 N ATOM 528 CA LEU A 31 2.984 -8.894 -7.710 1.00 0.00 C ATOM 529 C LEU A 31 2.076 -9.841 -6.918 1.00 0.00 C ATOM 530 O LEU A 31 1.145 -10.417 -7.480 1.00 0.00 O ATOM 531 CB LEU A 31 4.335 -9.566 -8.003 1.00 0.00 C ATOM 532 CG LEU A 31 4.148 -10.725 -8.995 1.00 0.00 C ATOM 533 CD1 LEU A 31 5.270 -10.694 -10.037 1.00 0.00 C ATOM 534 CD2 LEU A 31 4.187 -12.061 -8.247 1.00 0.00 C ATOM 0 H LEU A 31 4.186 -7.546 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 31 2.476 -8.660 -8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.031 -8.835 -8.414 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.773 -9.938 -7.077 1.00 0.00 H new ATOM 0 HG LEU A 31 3.184 -10.618 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.137 -11.516 -10.740 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.240 -9.747 -10.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.233 -10.796 -9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.054 -12.879 -8.955 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.148 -12.169 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.386 -12.088 -7.508 1.00 0.00 H new ATOM 546 N HIS A 32 2.360 -10.018 -5.625 1.00 0.00 N ATOM 547 CA HIS A 32 1.622 -10.954 -4.786 1.00 0.00 C ATOM 548 C HIS A 32 0.270 -10.381 -4.358 1.00 0.00 C ATOM 549 O HIS A 32 -0.762 -11.013 -4.580 1.00 0.00 O ATOM 550 CB HIS A 32 2.475 -11.307 -3.564 1.00 0.00 C ATOM 551 CG HIS A 32 3.746 -12.024 -3.945 1.00 0.00 C ATOM 552 ND1 HIS A 32 3.747 -13.248 -4.606 1.00 0.00 N ATOM 553 CD2 HIS A 32 5.072 -11.714 -3.777 1.00 0.00 C ATOM 554 CE1 HIS A 32 5.039 -13.589 -4.788 1.00 0.00 C ATOM 555 NE2 HIS A 32 5.901 -12.694 -4.305 1.00 0.00 N ATOM 0 H HIS A 32 3.103 -9.518 -5.137 1.00 0.00 H new ATOM 0 HA HIS A 32 1.416 -11.856 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.723 -10.395 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.895 -11.934 -2.887 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.929 -13.784 -4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.427 -10.816 -3.293 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.346 -14.501 -5.279 1.00 0.00 H new ATOM 563 N TYR A 33 0.268 -9.197 -3.732 1.00 0.00 N ATOM 564 CA TYR A 33 -0.967 -8.592 -3.247 1.00 0.00 C ATOM 565 C TYR A 33 -1.755 -7.972 -4.406 1.00 0.00 C ATOM 566 O TYR A 33 -1.359 -8.079 -5.564 1.00 0.00 O ATOM 567 CB TYR A 33 -0.643 -7.560 -2.156 1.00 0.00 C ATOM 568 CG TYR A 33 -0.684 -8.156 -0.764 1.00 0.00 C ATOM 569 CD1 TYR A 33 -1.919 -8.313 -0.110 1.00 0.00 C ATOM 570 CD2 TYR A 33 0.502 -8.569 -0.131 1.00 0.00 C ATOM 571 CE1 TYR A 33 -1.969 -8.879 1.175 1.00 0.00 C ATOM 572 CE2 TYR A 33 0.451 -9.139 1.155 1.00 0.00 C ATOM 573 CZ TYR A 33 -0.785 -9.293 1.807 1.00 0.00 C ATOM 574 OH TYR A 33 -0.835 -9.852 3.052 1.00 0.00 O ATOM 0 H TYR A 33 1.107 -8.645 -3.553 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.600 -9.362 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.346 -7.141 -2.339 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.355 -6.737 -2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.830 -7.998 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.452 -8.449 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.918 -8.996 1.677 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.361 -9.458 1.641 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.165 -9.429 3.628 1.00 0.00 H new ATOM 584 N LYS A 34 -2.889 -7.337 -4.075 1.00 0.00 N ATOM 585 CA LYS A 34 -3.783 -6.749 -5.063 1.00 0.00 C ATOM 586 C LYS A 34 -3.217 -5.430 -5.596 1.00 0.00 C ATOM 587 O LYS A 34 -2.108 -5.397 -6.123 1.00 0.00 O ATOM 588 CB LYS A 34 -5.168 -6.562 -4.422 1.00 0.00 C ATOM 589 CG LYS A 34 -5.701 -7.918 -3.949 1.00 0.00 C ATOM 590 CD LYS A 34 -7.151 -7.766 -3.478 1.00 0.00 C ATOM 591 CE LYS A 34 -7.664 -9.101 -2.924 1.00 0.00 C ATOM 592 NZ LYS A 34 -7.739 -10.126 -3.982 1.00 0.00 N ATOM 0 H LYS A 34 -3.205 -7.221 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.878 -7.414 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.101 -5.872 -3.580 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.857 -6.120 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.646 -8.644 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.083 -8.300 -3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.214 -6.996 -2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.779 -7.441 -4.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.004 -9.445 -2.128 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.650 -8.959 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.273 -10.947 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.218 -9.730 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.778 -10.425 -4.245 1.00 0.00 H new ATOM 606 N PHE A 35 -4.002 -4.355 -5.468 1.00 0.00 N ATOM 607 CA PHE A 35 -3.641 -3.026 -5.966 1.00 0.00 C ATOM 608 C PHE A 35 -3.766 -3.013 -7.491 1.00 0.00 C ATOM 609 O PHE A 35 -4.181 -4.007 -8.087 1.00 0.00 O ATOM 610 CB PHE A 35 -2.223 -2.633 -5.514 1.00 0.00 C ATOM 611 CG PHE A 35 -1.924 -2.996 -4.072 1.00 0.00 C ATOM 612 CD1 PHE A 35 -2.811 -2.613 -3.049 1.00 0.00 C ATOM 613 CD2 PHE A 35 -0.762 -3.723 -3.756 1.00 0.00 C ATOM 614 CE1 PHE A 35 -2.539 -2.961 -1.718 1.00 0.00 C ATOM 615 CE2 PHE A 35 -0.490 -4.067 -2.421 1.00 0.00 C ATOM 616 CZ PHE A 35 -1.380 -3.689 -1.404 1.00 0.00 C ATOM 0 H PHE A 35 -4.914 -4.385 -5.012 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.323 -2.285 -5.548 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.495 -3.122 -6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.094 -1.559 -5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.701 -2.051 -3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.079 -4.017 -4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.222 -2.669 -0.934 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.404 -4.622 -2.178 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.173 -3.958 -0.379 1.00 0.00 H new ATOM 626 N ASN A 36 -3.423 -1.887 -8.126 1.00 0.00 N ATOM 627 CA ASN A 36 -3.535 -1.766 -9.571 1.00 0.00 C ATOM 628 C ASN A 36 -2.654 -0.616 -10.070 1.00 0.00 C ATOM 629 O ASN A 36 -1.458 -0.807 -10.283 1.00 0.00 O ATOM 630 CB ASN A 36 -5.015 -1.557 -9.938 1.00 0.00 C ATOM 631 CG ASN A 36 -5.199 -1.324 -11.435 1.00 0.00 C ATOM 632 OD1 ASN A 36 -4.374 -1.746 -12.240 1.00 0.00 O ATOM 633 ND2 ASN A 36 -6.286 -0.647 -11.804 1.00 0.00 N ATOM 0 H ASN A 36 -3.068 -1.053 -7.658 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.184 -2.676 -10.058 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.592 -2.429 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.410 -0.704 -9.386 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.460 -0.460 -12.792 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.944 -0.316 -11.099 1.00 0.00 H new ATOM 640 N ASN A 37 -3.243 0.573 -10.261 1.00 0.00 N ATOM 641 CA ASN A 37 -2.511 1.729 -10.759 1.00 0.00 C ATOM 642 C ASN A 37 -1.721 2.375 -9.622 1.00 0.00 C ATOM 643 O ASN A 37 -2.009 3.503 -9.227 1.00 0.00 O ATOM 644 CB ASN A 37 -3.506 2.721 -11.377 1.00 0.00 C ATOM 645 CG ASN A 37 -2.780 3.905 -12.018 1.00 0.00 C ATOM 646 OD1 ASN A 37 -1.590 3.825 -12.313 1.00 0.00 O ATOM 647 ND2 ASN A 37 -3.502 5.004 -12.234 1.00 0.00 N ATOM 0 H ASN A 37 -4.230 0.752 -10.075 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.800 1.420 -11.526 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -4.112 2.213 -12.127 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.188 3.083 -10.608 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.069 5.823 -12.660 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.488 5.026 -11.973 1.00 0.00 H new ATOM 654 N ARG A 38 -0.723 1.652 -9.101 1.00 0.00 N ATOM 655 CA ARG A 38 0.117 2.146 -8.022 1.00 0.00 C ATOM 656 C ARG A 38 1.541 1.639 -8.203 1.00 0.00 C ATOM 657 O ARG A 38 1.839 0.493 -7.869 1.00 0.00 O ATOM 658 CB ARG A 38 -0.429 1.670 -6.669 1.00 0.00 C ATOM 659 CG ARG A 38 -1.569 2.579 -6.184 1.00 0.00 C ATOM 660 CD ARG A 38 -2.895 1.832 -6.273 1.00 0.00 C ATOM 661 NE ARG A 38 -3.924 2.483 -5.455 1.00 0.00 N ATOM 662 CZ ARG A 38 -5.008 1.833 -5.000 1.00 0.00 C ATOM 663 NH1 ARG A 38 -5.293 0.608 -5.456 1.00 0.00 N ATOM 664 NH2 ARG A 38 -5.799 2.408 -4.090 1.00 0.00 N ATOM 0 H ARG A 38 -0.482 0.713 -9.419 1.00 0.00 H new ATOM 0 HA ARG A 38 0.115 3.236 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.789 0.645 -6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.374 1.662 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.385 2.892 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.609 3.484 -6.791 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.224 1.791 -7.311 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.759 0.803 -5.941 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.812 3.470 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.687 0.168 -6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.116 0.114 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.580 3.341 -3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.622 1.914 -3.745 1.00 0.00 H new ATOM 678 N THR A 39 2.424 2.499 -8.713 1.00 0.00 N ATOM 679 CA THR A 39 3.828 2.160 -8.864 1.00 0.00 C ATOM 680 C THR A 39 4.469 2.111 -7.469 1.00 0.00 C ATOM 681 O THR A 39 3.805 2.391 -6.470 1.00 0.00 O ATOM 682 CB THR A 39 4.514 3.209 -9.759 1.00 0.00 C ATOM 683 OG1 THR A 39 3.548 3.858 -10.561 1.00 0.00 O ATOM 684 CG2 THR A 39 5.546 2.535 -10.667 1.00 0.00 C ATOM 0 H THR A 39 2.184 3.439 -9.028 1.00 0.00 H new ATOM 0 HA THR A 39 3.943 1.186 -9.340 1.00 0.00 H new ATOM 0 HB THR A 39 5.014 3.938 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.175 4.620 -10.071 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.024 3.287 -11.295 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.300 2.040 -10.056 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.049 1.798 -11.298 1.00 0.00 H new ATOM 692 N SER A 40 5.754 1.755 -7.395 1.00 0.00 N ATOM 693 CA SER A 40 6.461 1.661 -6.123 1.00 0.00 C ATOM 694 C SER A 40 6.288 2.945 -5.301 1.00 0.00 C ATOM 695 O SER A 40 6.172 2.881 -4.079 1.00 0.00 O ATOM 696 CB SER A 40 7.942 1.390 -6.393 1.00 0.00 C ATOM 697 OG SER A 40 8.438 2.330 -7.325 1.00 0.00 O ATOM 0 H SER A 40 6.326 1.527 -8.208 1.00 0.00 H new ATOM 0 HA SER A 40 6.041 0.840 -5.542 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.508 1.452 -5.464 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.072 0.379 -6.778 1.00 0.00 H new ATOM 0 HG SER A 40 9.387 2.154 -7.494 1.00 0.00 H new ATOM 703 N VAL A 41 6.276 4.109 -5.968 1.00 0.00 N ATOM 704 CA VAL A 41 6.150 5.389 -5.279 1.00 0.00 C ATOM 705 C VAL A 41 4.749 5.543 -4.669 1.00 0.00 C ATOM 706 O VAL A 41 4.618 6.105 -3.588 1.00 0.00 O ATOM 707 CB VAL A 41 6.479 6.550 -6.237 1.00 0.00 C ATOM 708 CG1 VAL A 41 7.845 6.314 -6.891 1.00 0.00 C ATOM 709 CG2 VAL A 41 5.410 6.678 -7.324 1.00 0.00 C ATOM 0 H VAL A 41 6.352 4.184 -6.982 1.00 0.00 H new ATOM 0 HA VAL A 41 6.869 5.417 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 41 6.503 7.474 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.072 7.138 -7.567 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.613 6.256 -6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.823 5.380 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.664 7.504 -7.988 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.362 5.753 -7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.442 6.869 -6.861 1.00 0.00 H new ATOM 719 N MET A 42 3.703 5.043 -5.351 1.00 0.00 N ATOM 720 CA MET A 42 2.338 5.130 -4.831 1.00 0.00 C ATOM 721 C MET A 42 2.220 4.263 -3.582 1.00 0.00 C ATOM 722 O MET A 42 1.685 4.703 -2.563 1.00 0.00 O ATOM 723 CB MET A 42 1.328 4.667 -5.894 1.00 0.00 C ATOM 724 CG MET A 42 1.047 5.790 -6.899 1.00 0.00 C ATOM 725 SD MET A 42 2.268 5.922 -8.227 1.00 0.00 S ATOM 726 CE MET A 42 1.511 7.261 -9.182 1.00 0.00 C ATOM 0 H MET A 42 3.781 4.579 -6.256 1.00 0.00 H new ATOM 0 HA MET A 42 2.116 6.167 -4.577 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.717 3.793 -6.417 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.399 4.362 -5.412 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.063 5.629 -7.340 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.005 6.739 -6.364 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.131 7.484 -10.051 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.518 6.956 -9.513 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.428 8.151 -8.558 1.00 0.00 H new ATOM 736 N LEU A 43 2.722 3.027 -3.665 1.00 0.00 N ATOM 737 CA LEU A 43 2.682 2.105 -2.543 1.00 0.00 C ATOM 738 C LEU A 43 3.459 2.704 -1.368 1.00 0.00 C ATOM 739 O LEU A 43 2.992 2.666 -0.228 1.00 0.00 O ATOM 740 CB LEU A 43 3.286 0.755 -2.958 1.00 0.00 C ATOM 741 CG LEU A 43 2.533 0.154 -4.158 1.00 0.00 C ATOM 742 CD1 LEU A 43 3.231 -1.133 -4.597 1.00 0.00 C ATOM 743 CD2 LEU A 43 1.087 -0.163 -3.773 1.00 0.00 C ATOM 0 H LEU A 43 3.161 2.648 -4.504 1.00 0.00 H new ATOM 0 HA LEU A 43 1.649 1.941 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.337 0.887 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.247 0.062 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 43 2.532 0.876 -4.974 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.701 -1.563 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.258 -0.910 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.232 -1.846 -3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.567 -0.587 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.078 -0.880 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.585 0.752 -3.460 1.00 0.00 H new ATOM 755 N LYS A 44 4.647 3.262 -1.650 1.00 0.00 N ATOM 756 CA LYS A 44 5.478 3.868 -0.621 1.00 0.00 C ATOM 757 C LYS A 44 4.766 5.067 0.000 1.00 0.00 C ATOM 758 O LYS A 44 4.796 5.231 1.214 1.00 0.00 O ATOM 759 CB LYS A 44 6.825 4.290 -1.224 1.00 0.00 C ATOM 760 CG LYS A 44 7.731 4.835 -0.111 1.00 0.00 C ATOM 761 CD LYS A 44 9.115 5.183 -0.672 1.00 0.00 C ATOM 762 CE LYS A 44 10.020 3.946 -0.638 1.00 0.00 C ATOM 763 NZ LYS A 44 10.386 3.581 0.747 1.00 0.00 N ATOM 0 H LYS A 44 5.046 3.301 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 44 5.660 3.137 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.301 3.439 -1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.671 5.051 -1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.278 5.721 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.829 4.094 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.021 5.547 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.562 5.987 -0.087 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.511 3.108 -1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.924 4.139 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.516 2.551 0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 11.272 4.059 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.628 3.876 1.395 1.00 0.00 H new ATOM 777 N ASP A 45 4.132 5.906 -0.827 1.00 0.00 N ATOM 778 CA ASP A 45 3.434 7.089 -0.342 1.00 0.00 C ATOM 779 C ASP A 45 2.330 6.684 0.633 1.00 0.00 C ATOM 780 O ASP A 45 2.240 7.231 1.730 1.00 0.00 O ATOM 781 CB ASP A 45 2.855 7.868 -1.522 1.00 0.00 C ATOM 782 CG ASP A 45 2.113 9.106 -1.036 1.00 0.00 C ATOM 783 OD1 ASP A 45 2.808 10.034 -0.563 1.00 0.00 O ATOM 784 OD2 ASP A 45 0.868 9.100 -1.143 1.00 0.00 O ATOM 0 H ASP A 45 4.091 5.782 -1.839 1.00 0.00 H new ATOM 0 HA ASP A 45 4.139 7.731 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.657 8.161 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.176 7.230 -2.088 1.00 0.00 H new ATOM 789 N ARG A 46 1.492 5.719 0.238 1.00 0.00 N ATOM 790 CA ARG A 46 0.417 5.247 1.095 1.00 0.00 C ATOM 791 C ARG A 46 1.000 4.737 2.414 1.00 0.00 C ATOM 792 O ARG A 46 0.451 5.003 3.481 1.00 0.00 O ATOM 793 CB ARG A 46 -0.365 4.142 0.375 1.00 0.00 C ATOM 794 CG ARG A 46 -1.573 3.698 1.222 1.00 0.00 C ATOM 795 CD ARG A 46 -2.643 4.801 1.254 1.00 0.00 C ATOM 796 NE ARG A 46 -2.550 5.608 2.483 1.00 0.00 N ATOM 797 CZ ARG A 46 -3.286 5.374 3.591 1.00 0.00 C ATOM 798 NH1 ARG A 46 -4.048 4.277 3.690 1.00 0.00 N ATOM 799 NH2 ARG A 46 -3.258 6.247 4.605 1.00 0.00 N ATOM 0 H ARG A 46 1.543 5.255 -0.669 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.268 6.065 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.706 4.503 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.288 3.290 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.998 2.783 0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.248 3.469 2.237 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.527 5.447 0.384 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.633 4.351 1.187 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.892 6.388 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.078 3.606 2.923 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.599 4.113 4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.682 7.086 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.813 6.073 5.443 1.00 0.00 H new ATOM 813 N TRP A 47 2.116 4.003 2.339 1.00 0.00 N ATOM 814 CA TRP A 47 2.758 3.456 3.523 1.00 0.00 C ATOM 815 C TRP A 47 3.418 4.568 4.350 1.00 0.00 C ATOM 816 O TRP A 47 3.538 4.438 5.561 1.00 0.00 O ATOM 817 CB TRP A 47 3.792 2.411 3.099 1.00 0.00 C ATOM 818 CG TRP A 47 4.489 1.726 4.235 1.00 0.00 C ATOM 819 CD1 TRP A 47 5.820 1.651 4.404 1.00 0.00 C ATOM 820 CD2 TRP A 47 3.915 1.012 5.376 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.134 0.956 5.547 1.00 0.00 N ATOM 822 CE2 TRP A 47 4.988 0.535 6.195 1.00 0.00 C ATOM 823 CE3 TRP A 47 2.600 0.715 5.810 1.00 0.00 C ATOM 824 CZ2 TRP A 47 4.769 -0.191 7.370 1.00 0.00 C ATOM 825 CZ3 TRP A 47 2.378 -0.016 6.997 1.00 0.00 C ATOM 826 CH2 TRP A 47 3.459 -0.468 7.774 1.00 0.00 C ATOM 0 H TRP A 47 2.589 3.778 1.464 1.00 0.00 H new ATOM 0 HA TRP A 47 2.004 2.982 4.151 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.297 1.657 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.540 2.893 2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 47 6.547 2.080 3.730 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.084 0.775 5.873 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.757 1.052 5.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.605 -0.535 7.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.367 -0.230 7.312 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.278 -1.027 8.680 1.00 0.00 H new ATOM 837 N ARG A 48 3.846 5.654 3.696 1.00 0.00 N ATOM 838 CA ARG A 48 4.506 6.764 4.376 1.00 0.00 C ATOM 839 C ARG A 48 3.556 7.401 5.392 1.00 0.00 C ATOM 840 O ARG A 48 3.919 7.580 6.553 1.00 0.00 O ATOM 841 CB ARG A 48 4.962 7.795 3.335 1.00 0.00 C ATOM 842 CG ARG A 48 5.753 8.920 4.009 1.00 0.00 C ATOM 843 CD ARG A 48 6.091 9.988 2.967 1.00 0.00 C ATOM 844 NE ARG A 48 6.681 11.173 3.599 1.00 0.00 N ATOM 845 CZ ARG A 48 6.862 12.337 2.948 1.00 0.00 C ATOM 846 NH1 ARG A 48 6.516 12.450 1.657 1.00 0.00 N ATOM 847 NH2 ARG A 48 7.390 13.386 3.591 1.00 0.00 N ATOM 0 H ARG A 48 3.744 5.784 2.689 1.00 0.00 H new ATOM 0 HA ARG A 48 5.378 6.396 4.916 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.580 7.310 2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.095 8.209 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.169 9.357 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.667 8.524 4.452 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.786 9.579 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 48 5.188 10.272 2.426 1.00 0.00 H new ATOM 0 HE ARG A 48 6.967 11.112 4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.114 11.652 1.165 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.655 13.334 1.167 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.654 13.302 4.573 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.528 14.269 3.099 1.00 0.00 H new ATOM 861 N THR A 49 2.344 7.745 4.955 1.00 0.00 N ATOM 862 CA THR A 49 1.363 8.376 5.829 1.00 0.00 C ATOM 863 C THR A 49 0.856 7.382 6.890 1.00 0.00 C ATOM 864 O THR A 49 0.301 7.797 7.903 1.00 0.00 O ATOM 865 CB THR A 49 0.209 8.948 4.985 1.00 0.00 C ATOM 866 OG1 THR A 49 -0.788 9.473 5.834 1.00 0.00 O ATOM 867 CG2 THR A 49 -0.408 7.863 4.102 1.00 0.00 C ATOM 0 H THR A 49 2.021 7.596 3.999 1.00 0.00 H new ATOM 0 HA THR A 49 1.836 9.200 6.364 1.00 0.00 H new ATOM 0 HB THR A 49 0.610 9.737 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.520 9.837 5.293 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.221 8.290 3.515 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.353 7.463 3.431 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.796 7.061 4.729 1.00 0.00 H new ATOM 875 N MET A 50 1.047 6.072 6.666 1.00 0.00 N ATOM 876 CA MET A 50 0.609 5.057 7.618 1.00 0.00 C ATOM 877 C MET A 50 1.677 4.846 8.695 1.00 0.00 C ATOM 878 O MET A 50 1.357 4.791 9.881 1.00 0.00 O ATOM 879 CB MET A 50 0.326 3.746 6.878 1.00 0.00 C ATOM 880 CG MET A 50 -0.988 3.867 6.099 1.00 0.00 C ATOM 881 SD MET A 50 -1.274 2.528 4.914 1.00 0.00 S ATOM 882 CE MET A 50 -1.532 1.158 6.064 1.00 0.00 C ATOM 0 H MET A 50 1.502 5.698 5.833 1.00 0.00 H new ATOM 0 HA MET A 50 -0.307 5.393 8.105 1.00 0.00 H new ATOM 0 HB2 MET A 50 1.145 3.518 6.196 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.264 2.922 7.589 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.816 3.893 6.807 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.995 4.817 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.794 0.259 5.506 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.617 0.981 6.630 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.341 1.407 6.751 1.00 0.00 H new ATOM 892 N LYS A 51 2.944 4.723 8.281 1.00 0.00 N ATOM 893 CA LYS A 51 4.047 4.494 9.208 1.00 0.00 C ATOM 894 C LYS A 51 4.418 5.788 9.935 1.00 0.00 C ATOM 895 O LYS A 51 4.961 5.741 11.038 1.00 0.00 O ATOM 896 CB LYS A 51 5.252 3.914 8.442 1.00 0.00 C ATOM 897 CG LYS A 51 5.958 5.020 7.644 1.00 0.00 C ATOM 898 CD LYS A 51 6.754 4.420 6.476 1.00 0.00 C ATOM 899 CE LYS A 51 7.866 3.503 6.993 1.00 0.00 C ATOM 900 NZ LYS A 51 8.785 3.117 5.899 1.00 0.00 N ATOM 0 H LYS A 51 3.227 4.779 7.303 1.00 0.00 H new ATOM 0 HA LYS A 51 3.738 3.773 9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.952 3.458 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.918 3.126 7.767 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.222 5.728 7.264 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.628 5.578 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.085 3.857 5.825 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.186 5.220 5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.424 4.010 7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.428 2.609 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.232 2.206 6.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.250 3.028 5.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.519 3.845 5.789 1.00 0.00 H new