USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=10 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 25 ASN : amide:sc= 0.17 K(o=1.4,f=-4.8) USER MOD Set 1.2: A 28 LYS NZ :NH3+ -131:sc= 1.23 (180deg=0.0575) USER MOD Set 2.1: A 21 TYR OH : rot 165:sc= -0.0465 USER MOD Set 2.2: A 32 HIS : no HD1:sc= -0.917 K(o=-0.96,f=-0.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.14 K(o=-0.14,f=-4.2!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc=-0.000999 X(o=-0.001,f=0) USER MOD Single : A 37 ASN : amide:sc= 0.654 K(o=0.65,f=-0.019) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.145 USER MOD Single : A 40 SER OG : rot 45:sc= 0.227 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -164:sc= -0.0273 (180deg=-0.609) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.123) USER MOD ----------------------------------------------------------------- ATOM 100 N TRP A 6 -7.388 6.056 -0.680 1.00 0.00 N ATOM 101 CA TRP A 6 -7.058 4.647 -0.535 1.00 0.00 C ATOM 102 C TRP A 6 -8.227 3.905 0.106 1.00 0.00 C ATOM 103 O TRP A 6 -8.848 4.410 1.040 1.00 0.00 O ATOM 104 CB TRP A 6 -5.799 4.501 0.324 1.00 0.00 C ATOM 105 CG TRP A 6 -4.510 4.710 -0.408 1.00 0.00 C ATOM 106 CD1 TRP A 6 -4.078 5.874 -0.925 1.00 0.00 C ATOM 107 CD2 TRP A 6 -3.463 3.739 -0.718 1.00 0.00 C ATOM 108 NE1 TRP A 6 -2.856 5.719 -1.534 1.00 0.00 N ATOM 109 CE2 TRP A 6 -2.423 4.409 -1.439 1.00 0.00 C ATOM 110 CE3 TRP A 6 -3.277 2.359 -0.468 1.00 0.00 C ATOM 111 CZ2 TRP A 6 -1.277 3.747 -1.886 1.00 0.00 C ATOM 112 CZ3 TRP A 6 -2.119 1.689 -0.920 1.00 0.00 C ATOM 113 CH2 TRP A 6 -1.124 2.383 -1.627 1.00 0.00 C ATOM 0 HA TRP A 6 -6.868 4.215 -1.518 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -5.853 5.214 1.146 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.792 3.505 0.766 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.620 6.807 -0.869 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.339 6.468 -1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -4.031 1.810 0.076 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.514 4.286 -2.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.998 0.635 -0.720 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -0.242 1.863 -1.970 1.00 0.00 H new ATOM 124 N LEU A 7 -8.520 2.703 -0.400 1.00 0.00 N ATOM 125 CA LEU A 7 -9.595 1.879 0.131 1.00 0.00 C ATOM 126 C LEU A 7 -9.090 1.140 1.366 1.00 0.00 C ATOM 127 O LEU A 7 -7.891 0.904 1.501 1.00 0.00 O ATOM 128 CB LEU A 7 -10.058 0.880 -0.941 1.00 0.00 C ATOM 129 CG LEU A 7 -11.117 1.518 -1.853 1.00 0.00 C ATOM 130 CD1 LEU A 7 -10.507 2.683 -2.640 1.00 0.00 C ATOM 131 CD2 LEU A 7 -11.638 0.464 -2.832 1.00 0.00 C ATOM 0 H LEU A 7 -8.020 2.282 -1.183 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.442 2.505 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.205 0.556 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.469 -0.009 -0.464 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.935 1.895 -1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.268 3.126 -3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.135 3.436 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -9.684 2.316 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.390 0.911 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.812 0.089 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -12.083 -0.361 -2.276 1.00 0.00 H new ATOM 143 N TRP A 8 -10.008 0.772 2.266 1.00 0.00 N ATOM 144 CA TRP A 8 -9.652 0.057 3.482 1.00 0.00 C ATOM 145 C TRP A 8 -8.906 -1.235 3.130 1.00 0.00 C ATOM 146 O TRP A 8 -7.946 -1.603 3.802 1.00 0.00 O ATOM 147 CB TRP A 8 -10.923 -0.241 4.295 1.00 0.00 C ATOM 148 CG TRP A 8 -11.623 -1.528 3.953 1.00 0.00 C ATOM 149 CD1 TRP A 8 -11.697 -2.607 4.752 1.00 0.00 C ATOM 150 CD2 TRP A 8 -12.348 -1.901 2.736 1.00 0.00 C ATOM 151 NE1 TRP A 8 -12.399 -3.621 4.149 1.00 0.00 N ATOM 152 CE2 TRP A 8 -12.830 -3.241 2.892 1.00 0.00 C ATOM 153 CE3 TRP A 8 -12.648 -1.255 1.511 1.00 0.00 C ATOM 154 CZ2 TRP A 8 -13.564 -3.895 1.899 1.00 0.00 C ATOM 155 CZ3 TRP A 8 -13.389 -1.916 0.506 1.00 0.00 C ATOM 156 CH2 TRP A 8 -13.845 -3.231 0.701 1.00 0.00 C ATOM 0 H TRP A 8 -11.005 0.962 2.168 1.00 0.00 H new ATOM 0 HA TRP A 8 -8.990 0.674 4.090 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -10.661 -0.260 5.353 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -11.624 0.582 4.155 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -11.261 -2.668 5.738 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -12.578 -4.532 4.572 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -12.306 -0.244 1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -13.912 -4.905 2.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -13.607 -1.406 -0.421 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -14.411 -3.728 -0.073 1.00 0.00 H new ATOM 167 N GLU A 9 -9.357 -1.917 2.068 1.00 0.00 N ATOM 168 CA GLU A 9 -8.752 -3.160 1.627 1.00 0.00 C ATOM 169 C GLU A 9 -7.370 -2.888 1.033 1.00 0.00 C ATOM 170 O GLU A 9 -6.445 -3.671 1.233 1.00 0.00 O ATOM 171 CB GLU A 9 -9.673 -3.824 0.600 1.00 0.00 C ATOM 172 CG GLU A 9 -9.173 -5.236 0.292 1.00 0.00 C ATOM 173 CD GLU A 9 -10.217 -6.024 -0.488 1.00 0.00 C ATOM 174 OE1 GLU A 9 -10.685 -5.486 -1.515 1.00 0.00 O ATOM 175 OE2 GLU A 9 -10.526 -7.150 -0.043 1.00 0.00 O ATOM 0 H GLU A 9 -10.148 -1.616 1.500 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.624 -3.834 2.474 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.692 -3.865 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.701 -3.231 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.248 -5.181 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.940 -5.755 1.222 1.00 0.00 H new ATOM 182 N GLU A 10 -7.232 -1.773 0.305 1.00 0.00 N ATOM 183 CA GLU A 10 -5.966 -1.399 -0.307 1.00 0.00 C ATOM 184 C GLU A 10 -4.925 -1.139 0.787 1.00 0.00 C ATOM 185 O GLU A 10 -3.802 -1.637 0.710 1.00 0.00 O ATOM 186 CB GLU A 10 -6.179 -0.155 -1.182 1.00 0.00 C ATOM 187 CG GLU A 10 -4.958 0.084 -2.078 1.00 0.00 C ATOM 188 CD GLU A 10 -5.095 -0.635 -3.415 1.00 0.00 C ATOM 189 OE1 GLU A 10 -5.283 -1.867 -3.390 1.00 0.00 O ATOM 190 OE2 GLU A 10 -5.000 0.067 -4.445 1.00 0.00 O ATOM 0 H GLU A 10 -7.991 -1.115 0.129 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.598 -2.207 -0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.070 -0.283 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.351 0.717 -0.550 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.836 1.153 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.059 -0.262 -1.569 1.00 0.00 H new ATOM 197 N ASP A 11 -5.302 -0.362 1.813 1.00 0.00 N ATOM 198 CA ASP A 11 -4.408 -0.060 2.923 1.00 0.00 C ATOM 199 C ASP A 11 -4.088 -1.341 3.689 1.00 0.00 C ATOM 200 O ASP A 11 -2.938 -1.573 4.058 1.00 0.00 O ATOM 201 CB ASP A 11 -5.060 0.971 3.851 1.00 0.00 C ATOM 202 CG ASP A 11 -4.963 2.382 3.278 1.00 0.00 C ATOM 203 OD1 ASP A 11 -3.908 2.689 2.681 1.00 0.00 O ATOM 204 OD2 ASP A 11 -5.941 3.138 3.454 1.00 0.00 O ATOM 0 H ASP A 11 -6.224 0.066 1.890 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.479 0.359 2.536 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.107 0.712 4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.576 0.940 4.827 1.00 0.00 H new ATOM 209 N LYS A 12 -5.106 -2.177 3.923 1.00 0.00 N ATOM 210 CA LYS A 12 -4.922 -3.444 4.615 1.00 0.00 C ATOM 211 C LYS A 12 -3.906 -4.295 3.848 1.00 0.00 C ATOM 212 O LYS A 12 -3.017 -4.895 4.451 1.00 0.00 O ATOM 213 CB LYS A 12 -6.280 -4.151 4.730 1.00 0.00 C ATOM 214 CG LYS A 12 -6.112 -5.568 5.297 1.00 0.00 C ATOM 215 CD LYS A 12 -6.258 -6.597 4.169 1.00 0.00 C ATOM 216 CE LYS A 12 -6.037 -8.007 4.721 1.00 0.00 C ATOM 217 NZ LYS A 12 -6.239 -9.022 3.669 1.00 0.00 N ATOM 0 H LYS A 12 -6.068 -1.991 3.639 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.534 -3.282 5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.942 -3.573 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.753 -4.201 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.135 -5.668 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.859 -5.752 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.250 -6.523 3.723 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.537 -6.389 3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.027 -8.090 5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.725 -8.191 5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.084 -9.970 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.210 -8.955 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.565 -8.857 2.894 1.00 0.00 H new ATOM 231 N ASN A 13 -4.041 -4.339 2.518 1.00 0.00 N ATOM 232 CA ASN A 13 -3.143 -5.103 1.667 1.00 0.00 C ATOM 233 C ASN A 13 -1.725 -4.535 1.766 1.00 0.00 C ATOM 234 O ASN A 13 -0.765 -5.290 1.886 1.00 0.00 O ATOM 235 CB ASN A 13 -3.655 -5.052 0.223 1.00 0.00 C ATOM 236 CG ASN A 13 -2.765 -5.865 -0.712 1.00 0.00 C ATOM 237 OD1 ASN A 13 -2.060 -6.769 -0.275 1.00 0.00 O ATOM 238 ND2 ASN A 13 -2.803 -5.539 -2.004 1.00 0.00 N ATOM 0 H ASN A 13 -4.775 -3.846 2.010 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.115 -6.143 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.674 -5.436 0.183 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.691 -4.017 -0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.230 -6.049 -2.676 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.405 -4.779 -2.321 1.00 0.00 H new ATOM 245 N LEU A 14 -1.599 -3.203 1.720 1.00 0.00 N ATOM 246 CA LEU A 14 -0.305 -2.542 1.810 1.00 0.00 C ATOM 247 C LEU A 14 0.385 -2.920 3.121 1.00 0.00 C ATOM 248 O LEU A 14 1.500 -3.434 3.110 1.00 0.00 O ATOM 249 CB LEU A 14 -0.515 -1.021 1.717 1.00 0.00 C ATOM 250 CG LEU A 14 0.808 -0.267 1.942 1.00 0.00 C ATOM 251 CD1 LEU A 14 1.794 -0.589 0.819 1.00 0.00 C ATOM 252 CD2 LEU A 14 0.530 1.237 1.953 1.00 0.00 C ATOM 0 H LEU A 14 -2.388 -2.564 1.620 1.00 0.00 H new ATOM 0 HA LEU A 14 0.336 -2.863 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.921 -0.766 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.248 -0.705 2.459 1.00 0.00 H new ATOM 0 HG LEU A 14 1.240 -0.575 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.726 -0.050 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.992 -1.661 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.368 -0.286 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.463 1.778 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.096 1.534 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.168 1.472 2.757 1.00 0.00 H new ATOM 264 N ARG A 15 -0.284 -2.656 4.248 1.00 0.00 N ATOM 265 CA ARG A 15 0.267 -2.933 5.565 1.00 0.00 C ATOM 266 C ARG A 15 0.630 -4.413 5.698 1.00 0.00 C ATOM 267 O ARG A 15 1.756 -4.741 6.064 1.00 0.00 O ATOM 268 CB ARG A 15 -0.757 -2.521 6.629 1.00 0.00 C ATOM 269 CG ARG A 15 -0.172 -2.732 8.029 1.00 0.00 C ATOM 270 CD ARG A 15 -1.111 -2.124 9.073 1.00 0.00 C ATOM 271 NE ARG A 15 -0.576 -2.308 10.429 1.00 0.00 N ATOM 272 CZ ARG A 15 -1.186 -1.833 11.530 1.00 0.00 C ATOM 273 NH1 ARG A 15 -2.338 -1.156 11.424 1.00 0.00 N ATOM 274 NH2 ARG A 15 -0.639 -2.035 12.735 1.00 0.00 N ATOM 0 H ARG A 15 -1.218 -2.246 4.266 1.00 0.00 H new ATOM 0 HA ARG A 15 1.182 -2.358 5.706 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.032 -1.475 6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.669 -3.108 6.515 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.038 -3.796 8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.812 -2.269 8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.246 -1.061 8.872 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.094 -2.589 8.999 1.00 0.00 H new ATOM 0 HE ARG A 15 0.299 -2.820 10.541 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.755 -1.000 10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.798 -0.797 12.261 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.239 -2.548 12.817 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.100 -1.676 13.571 1.00 0.00 H new ATOM 288 N SER A 16 -0.328 -5.301 5.407 1.00 0.00 N ATOM 289 CA SER A 16 -0.112 -6.737 5.521 1.00 0.00 C ATOM 290 C SER A 16 1.082 -7.165 4.666 1.00 0.00 C ATOM 291 O SER A 16 1.955 -7.892 5.139 1.00 0.00 O ATOM 292 CB SER A 16 -1.385 -7.469 5.083 1.00 0.00 C ATOM 293 OG SER A 16 -1.228 -8.858 5.284 1.00 0.00 O ATOM 0 H SER A 16 -1.262 -5.043 5.090 1.00 0.00 H new ATOM 0 HA SER A 16 0.111 -6.993 6.557 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.240 -7.104 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.590 -7.265 4.032 1.00 0.00 H new ATOM 0 HG SER A 16 -2.044 -9.323 5.005 1.00 0.00 H new ATOM 299 N GLY A 17 1.111 -6.714 3.409 1.00 0.00 N ATOM 300 CA GLY A 17 2.174 -7.060 2.484 1.00 0.00 C ATOM 301 C GLY A 17 3.527 -6.600 3.015 1.00 0.00 C ATOM 302 O GLY A 17 4.400 -7.423 3.270 1.00 0.00 O ATOM 0 H GLY A 17 0.398 -6.102 3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.188 -8.138 2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.983 -6.599 1.515 1.00 0.00 H new ATOM 306 N VAL A 18 3.698 -5.282 3.175 1.00 0.00 N ATOM 307 CA VAL A 18 4.955 -4.707 3.644 1.00 0.00 C ATOM 308 C VAL A 18 5.425 -5.413 4.917 1.00 0.00 C ATOM 309 O VAL A 18 6.604 -5.734 5.049 1.00 0.00 O ATOM 310 CB VAL A 18 4.765 -3.202 3.889 1.00 0.00 C ATOM 311 CG1 VAL A 18 6.010 -2.624 4.567 1.00 0.00 C ATOM 312 CG2 VAL A 18 4.546 -2.485 2.553 1.00 0.00 C ATOM 0 H VAL A 18 2.972 -4.592 2.983 1.00 0.00 H new ATOM 0 HA VAL A 18 5.723 -4.848 2.884 1.00 0.00 H new ATOM 0 HB VAL A 18 3.897 -3.056 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.869 -1.557 4.738 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.171 -3.126 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.878 -2.777 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.412 -1.418 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.413 -2.640 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.657 -2.887 2.066 1.00 0.00 H new ATOM 322 N ARG A 19 4.506 -5.651 5.854 1.00 0.00 N ATOM 323 CA ARG A 19 4.835 -6.299 7.114 1.00 0.00 C ATOM 324 C ARG A 19 5.391 -7.709 6.875 1.00 0.00 C ATOM 325 O ARG A 19 6.275 -8.150 7.607 1.00 0.00 O ATOM 326 CB ARG A 19 3.574 -6.346 7.988 1.00 0.00 C ATOM 327 CG ARG A 19 3.896 -6.956 9.362 1.00 0.00 C ATOM 328 CD ARG A 19 3.447 -8.421 9.413 1.00 0.00 C ATOM 329 NE ARG A 19 1.987 -8.530 9.298 1.00 0.00 N ATOM 330 CZ ARG A 19 1.344 -9.706 9.196 1.00 0.00 C ATOM 331 NH1 ARG A 19 2.037 -10.854 9.213 1.00 0.00 N ATOM 332 NH2 ARG A 19 0.011 -9.731 9.079 1.00 0.00 N ATOM 0 H ARG A 19 3.522 -5.401 5.758 1.00 0.00 H new ATOM 0 HA ARG A 19 5.610 -5.729 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.174 -5.340 8.115 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.803 -6.936 7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 19 4.967 -6.890 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.395 -6.388 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.921 -8.978 8.605 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.776 -8.873 10.349 1.00 0.00 H new ATOM 0 HE ARG A 19 1.435 -7.673 9.295 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.053 -10.835 9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.548 -11.746 9.136 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.516 -8.858 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.478 -10.623 9.002 1.00 0.00 H new ATOM 346 N LYS A 20 4.867 -8.421 5.862 1.00 0.00 N ATOM 347 CA LYS A 20 5.275 -9.798 5.585 1.00 0.00 C ATOM 348 C LYS A 20 6.189 -9.881 4.347 1.00 0.00 C ATOM 349 O LYS A 20 6.215 -10.911 3.676 1.00 0.00 O ATOM 350 CB LYS A 20 4.008 -10.655 5.397 1.00 0.00 C ATOM 351 CG LYS A 20 4.129 -11.975 6.177 1.00 0.00 C ATOM 352 CD LYS A 20 5.197 -12.872 5.543 1.00 0.00 C ATOM 353 CE LYS A 20 5.184 -14.244 6.221 1.00 0.00 C ATOM 354 NZ LYS A 20 6.200 -15.135 5.633 1.00 0.00 N ATOM 0 H LYS A 20 4.159 -8.059 5.223 1.00 0.00 H new ATOM 0 HA LYS A 20 5.856 -10.177 6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.134 -10.102 5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.857 -10.864 4.338 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.387 -11.769 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.169 -12.491 6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.007 -12.981 4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.180 -12.413 5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.372 -14.128 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.197 -14.695 6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.170 -16.058 6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.005 -15.263 4.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.143 -14.713 5.753 1.00 0.00 H new ATOM 368 N TYR A 21 6.948 -8.813 4.045 1.00 0.00 N ATOM 369 CA TYR A 21 7.873 -8.827 2.907 1.00 0.00 C ATOM 370 C TYR A 21 9.097 -7.955 3.191 1.00 0.00 C ATOM 371 O TYR A 21 10.207 -8.321 2.804 1.00 0.00 O ATOM 372 CB TYR A 21 7.155 -8.360 1.630 1.00 0.00 C ATOM 373 CG TYR A 21 6.241 -9.417 1.029 1.00 0.00 C ATOM 374 CD1 TYR A 21 6.729 -10.715 0.771 1.00 0.00 C ATOM 375 CD2 TYR A 21 4.902 -9.105 0.729 1.00 0.00 C ATOM 376 CE1 TYR A 21 5.877 -11.695 0.238 1.00 0.00 C ATOM 377 CE2 TYR A 21 4.055 -10.086 0.192 1.00 0.00 C ATOM 378 CZ TYR A 21 4.538 -11.381 -0.046 1.00 0.00 C ATOM 379 OH TYR A 21 3.708 -12.333 -0.556 1.00 0.00 O ATOM 0 H TYR A 21 6.937 -7.939 4.570 1.00 0.00 H new ATOM 0 HA TYR A 21 8.217 -9.850 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.568 -7.470 1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.900 -8.070 0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 21 7.760 -10.955 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.526 -8.109 0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 21 6.251 -12.690 0.046 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.028 -9.843 -0.039 1.00 0.00 H new ATOM 0 HH TYR A 21 2.778 -12.034 -0.474 1.00 0.00 H new ATOM 389 N GLY A 22 8.897 -6.814 3.861 1.00 0.00 N ATOM 390 CA GLY A 22 9.985 -5.911 4.209 1.00 0.00 C ATOM 391 C GLY A 22 9.773 -4.548 3.561 1.00 0.00 C ATOM 392 O GLY A 22 9.265 -4.458 2.443 1.00 0.00 O ATOM 0 H GLY A 22 7.979 -6.497 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.042 -5.801 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.935 -6.333 3.881 1.00 0.00 H new ATOM 396 N GLU A 23 10.169 -3.486 4.269 1.00 0.00 N ATOM 397 CA GLU A 23 10.040 -2.128 3.768 1.00 0.00 C ATOM 398 C GLU A 23 10.994 -1.925 2.594 1.00 0.00 C ATOM 399 O GLU A 23 12.012 -2.609 2.491 1.00 0.00 O ATOM 400 CB GLU A 23 10.349 -1.136 4.894 1.00 0.00 C ATOM 401 CG GLU A 23 9.437 -1.410 6.096 1.00 0.00 C ATOM 402 CD GLU A 23 9.542 -0.293 7.124 1.00 0.00 C ATOM 403 OE1 GLU A 23 10.690 0.077 7.453 1.00 0.00 O ATOM 404 OE2 GLU A 23 8.471 0.172 7.564 1.00 0.00 O ATOM 0 H GLU A 23 10.584 -3.550 5.198 1.00 0.00 H new ATOM 0 HA GLU A 23 9.021 -1.957 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.394 -1.224 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.203 -0.115 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.404 -1.504 5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.710 -2.360 6.556 1.00 0.00 H new ATOM 411 N GLY A 24 10.661 -0.986 1.702 1.00 0.00 N ATOM 412 CA GLY A 24 11.485 -0.701 0.537 1.00 0.00 C ATOM 413 C GLY A 24 11.072 -1.590 -0.634 1.00 0.00 C ATOM 414 O GLY A 24 11.157 -1.174 -1.787 1.00 0.00 O ATOM 0 H GLY A 24 9.821 -0.411 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.384 0.348 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.535 -0.868 0.776 1.00 0.00 H new ATOM 418 N ASN A 25 10.622 -2.816 -0.340 1.00 0.00 N ATOM 419 CA ASN A 25 10.185 -3.742 -1.371 1.00 0.00 C ATOM 420 C ASN A 25 8.770 -3.372 -1.799 1.00 0.00 C ATOM 421 O ASN A 25 7.870 -3.318 -0.965 1.00 0.00 O ATOM 422 CB ASN A 25 10.222 -5.180 -0.836 1.00 0.00 C ATOM 423 CG ASN A 25 11.615 -5.589 -0.343 1.00 0.00 C ATOM 424 OD1 ASN A 25 11.738 -6.522 0.447 1.00 0.00 O ATOM 425 ND2 ASN A 25 12.663 -4.902 -0.805 1.00 0.00 N ATOM 0 H ASN A 25 10.554 -3.183 0.609 1.00 0.00 H new ATOM 0 HA ASN A 25 10.852 -3.679 -2.230 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.508 -5.278 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.903 -5.865 -1.622 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.606 -5.146 -0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 25 12.520 -4.133 -1.460 1.00 0.00 H new ATOM 432 N TRP A 26 8.581 -3.114 -3.099 1.00 0.00 N ATOM 433 CA TRP A 26 7.279 -2.739 -3.638 1.00 0.00 C ATOM 434 C TRP A 26 6.906 -3.684 -4.777 1.00 0.00 C ATOM 435 O TRP A 26 5.833 -4.281 -4.758 1.00 0.00 O ATOM 436 CB TRP A 26 7.332 -1.285 -4.116 1.00 0.00 C ATOM 437 CG TRP A 26 7.958 -0.336 -3.136 1.00 0.00 C ATOM 438 CD1 TRP A 26 9.052 0.413 -3.360 1.00 0.00 C ATOM 439 CD2 TRP A 26 7.558 -0.031 -1.763 1.00 0.00 C ATOM 440 NE1 TRP A 26 9.375 1.158 -2.252 1.00 0.00 N ATOM 441 CE2 TRP A 26 8.481 0.921 -1.225 1.00 0.00 C ATOM 442 CE3 TRP A 26 6.515 -0.462 -0.909 1.00 0.00 C ATOM 443 CZ2 TRP A 26 8.376 1.413 0.079 1.00 0.00 C ATOM 444 CZ3 TRP A 26 6.405 0.038 0.407 1.00 0.00 C ATOM 445 CH2 TRP A 26 7.334 0.971 0.898 1.00 0.00 C ATOM 0 H TRP A 26 9.323 -3.160 -3.797 1.00 0.00 H new ATOM 0 HA TRP A 26 6.514 -2.821 -2.866 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.889 -1.242 -5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.318 -0.949 -4.333 1.00 0.00 H new ATOM 0 HD1 TRP A 26 9.604 0.427 -4.288 1.00 0.00 H new ATOM 0 HE1 TRP A 26 10.167 1.799 -2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.795 -1.182 -1.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 9.094 2.129 0.450 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.599 -0.300 1.042 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.243 1.346 1.907 1.00 0.00 H new ATOM 456 N SER A 27 7.799 -3.822 -5.767 1.00 0.00 N ATOM 457 CA SER A 27 7.572 -4.706 -6.903 1.00 0.00 C ATOM 458 C SER A 27 7.265 -6.122 -6.411 1.00 0.00 C ATOM 459 O SER A 27 6.382 -6.788 -6.945 1.00 0.00 O ATOM 460 CB SER A 27 8.814 -4.701 -7.796 1.00 0.00 C ATOM 461 OG SER A 27 9.179 -3.368 -8.088 1.00 0.00 O ATOM 0 H SER A 27 8.690 -3.326 -5.797 1.00 0.00 H new ATOM 0 HA SER A 27 6.717 -4.354 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.636 -5.213 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.613 -5.245 -8.719 1.00 0.00 H new ATOM 0 HG SER A 27 9.976 -3.365 -8.659 1.00 0.00 H new ATOM 467 N LYS A 28 8.000 -6.571 -5.384 1.00 0.00 N ATOM 468 CA LYS A 28 7.807 -7.890 -4.804 1.00 0.00 C ATOM 469 C LYS A 28 6.356 -8.044 -4.342 1.00 0.00 C ATOM 470 O LYS A 28 5.707 -9.043 -4.644 1.00 0.00 O ATOM 471 CB LYS A 28 8.773 -8.063 -3.624 1.00 0.00 C ATOM 472 CG LYS A 28 8.861 -9.543 -3.224 1.00 0.00 C ATOM 473 CD LYS A 28 9.157 -9.666 -1.723 1.00 0.00 C ATOM 474 CE LYS A 28 10.533 -9.069 -1.404 1.00 0.00 C ATOM 475 NZ LYS A 28 10.811 -9.113 0.047 1.00 0.00 N ATOM 0 H LYS A 28 8.739 -6.026 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 28 8.013 -8.659 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 28 9.761 -7.693 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.433 -7.469 -2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.925 -10.048 -3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.644 -10.037 -3.799 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.387 -9.150 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.129 -10.714 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.305 -9.620 -1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.575 -8.038 -1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.140 -8.179 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.942 -9.368 0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.546 -9.823 0.238 1.00 0.00 H new ATOM 489 N ILE A 29 5.854 -7.047 -3.607 1.00 0.00 N ATOM 490 CA ILE A 29 4.498 -7.079 -3.085 1.00 0.00 C ATOM 491 C ILE A 29 3.498 -7.081 -4.243 1.00 0.00 C ATOM 492 O ILE A 29 2.543 -7.849 -4.226 1.00 0.00 O ATOM 493 CB ILE A 29 4.261 -5.875 -2.154 1.00 0.00 C ATOM 494 CG1 ILE A 29 5.442 -5.731 -1.175 1.00 0.00 C ATOM 495 CG2 ILE A 29 2.962 -6.096 -1.368 1.00 0.00 C ATOM 496 CD1 ILE A 29 5.129 -4.666 -0.121 1.00 0.00 C ATOM 0 H ILE A 29 6.376 -6.205 -3.363 1.00 0.00 H new ATOM 0 HA ILE A 29 4.355 -7.990 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 29 4.180 -4.965 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.640 -6.687 -0.689 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.345 -5.458 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.788 -5.247 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.128 -6.191 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.046 -7.007 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.971 -4.574 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.954 -3.709 -0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.238 -4.956 0.436 1.00 0.00 H new ATOM 508 N LEU A 30 3.727 -6.224 -5.249 1.00 0.00 N ATOM 509 CA LEU A 30 2.853 -6.137 -6.418 1.00 0.00 C ATOM 510 C LEU A 30 2.714 -7.511 -7.075 1.00 0.00 C ATOM 511 O LEU A 30 1.611 -7.918 -7.436 1.00 0.00 O ATOM 512 CB LEU A 30 3.441 -5.126 -7.426 1.00 0.00 C ATOM 513 CG LEU A 30 2.681 -3.786 -7.407 1.00 0.00 C ATOM 514 CD1 LEU A 30 1.256 -3.969 -7.947 1.00 0.00 C ATOM 515 CD2 LEU A 30 2.635 -3.211 -5.987 1.00 0.00 C ATOM 0 H LEU A 30 4.517 -5.579 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 30 1.865 -5.800 -6.103 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.491 -4.951 -7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.403 -5.550 -8.429 1.00 0.00 H new ATOM 0 HG LEU A 30 3.213 -3.084 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.733 -3.013 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.300 -4.337 -8.972 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.721 -4.688 -7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.094 -2.265 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.127 -3.914 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.651 -3.045 -5.629 1.00 0.00 H new ATOM 527 N LEU A 31 3.837 -8.220 -7.234 1.00 0.00 N ATOM 528 CA LEU A 31 3.840 -9.536 -7.857 1.00 0.00 C ATOM 529 C LEU A 31 2.974 -10.510 -7.054 1.00 0.00 C ATOM 530 O LEU A 31 2.249 -11.313 -7.639 1.00 0.00 O ATOM 531 CB LEU A 31 5.282 -10.051 -7.949 1.00 0.00 C ATOM 532 CG LEU A 31 6.026 -9.348 -9.097 1.00 0.00 C ATOM 533 CD1 LEU A 31 7.535 -9.473 -8.878 1.00 0.00 C ATOM 534 CD2 LEU A 31 5.656 -9.995 -10.436 1.00 0.00 C ATOM 0 H LEU A 31 4.757 -7.897 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 31 3.421 -9.459 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.800 -9.872 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.281 -11.129 -8.113 1.00 0.00 H new ATOM 0 HG LEU A 31 5.740 -8.296 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.063 -8.975 -9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.805 -9.007 -7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.813 -10.527 -8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.188 -9.491 -11.243 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.935 -11.049 -10.420 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.582 -9.907 -10.598 1.00 0.00 H new ATOM 546 N HIS A 32 3.055 -10.444 -5.721 1.00 0.00 N ATOM 547 CA HIS A 32 2.295 -11.338 -4.858 1.00 0.00 C ATOM 548 C HIS A 32 0.838 -10.877 -4.756 1.00 0.00 C ATOM 549 O HIS A 32 -0.052 -11.527 -5.301 1.00 0.00 O ATOM 550 CB HIS A 32 2.954 -11.389 -3.478 1.00 0.00 C ATOM 551 CG HIS A 32 4.320 -12.024 -3.514 1.00 0.00 C ATOM 552 ND1 HIS A 32 4.545 -13.299 -4.022 1.00 0.00 N ATOM 553 CD2 HIS A 32 5.554 -11.586 -3.106 1.00 0.00 C ATOM 554 CE1 HIS A 32 5.864 -13.542 -3.893 1.00 0.00 C ATOM 555 NE2 HIS A 32 6.539 -12.534 -3.339 1.00 0.00 N ATOM 0 H HIS A 32 3.642 -9.777 -5.221 1.00 0.00 H new ATOM 0 HA HIS A 32 2.294 -12.341 -5.286 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.038 -10.377 -3.081 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.315 -11.948 -2.794 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.736 -10.620 -2.658 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.330 -14.464 -4.208 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.537 -12.475 -3.136 1.00 0.00 H new ATOM 563 N TYR A 33 0.596 -9.763 -4.053 1.00 0.00 N ATOM 564 CA TYR A 33 -0.751 -9.245 -3.863 1.00 0.00 C ATOM 565 C TYR A 33 -1.071 -8.212 -4.938 1.00 0.00 C ATOM 566 O TYR A 33 -0.296 -7.285 -5.167 1.00 0.00 O ATOM 567 CB TYR A 33 -0.870 -8.610 -2.475 1.00 0.00 C ATOM 568 CG TYR A 33 -0.699 -9.590 -1.330 1.00 0.00 C ATOM 569 CD1 TYR A 33 -1.524 -10.728 -1.243 1.00 0.00 C ATOM 570 CD2 TYR A 33 0.274 -9.354 -0.341 1.00 0.00 C ATOM 571 CE1 TYR A 33 -1.373 -11.628 -0.174 1.00 0.00 C ATOM 572 CE2 TYR A 33 0.422 -10.256 0.729 1.00 0.00 C ATOM 573 CZ TYR A 33 -0.399 -11.392 0.810 1.00 0.00 C ATOM 574 OH TYR A 33 -0.254 -12.262 1.850 1.00 0.00 O ATOM 0 H TYR A 33 1.325 -9.206 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.463 -10.067 -3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.121 -7.824 -2.381 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.846 -8.132 -2.388 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.274 -10.909 -1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.907 -8.481 -0.403 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.006 -12.501 -0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.168 -10.074 1.489 1.00 0.00 H new ATOM 0 HH TYR A 33 0.465 -11.951 2.439 1.00 0.00 H new ATOM 584 N LYS A 34 -2.226 -8.376 -5.592 1.00 0.00 N ATOM 585 CA LYS A 34 -2.667 -7.462 -6.632 1.00 0.00 C ATOM 586 C LYS A 34 -3.435 -6.303 -6.000 1.00 0.00 C ATOM 587 O LYS A 34 -4.418 -6.525 -5.293 1.00 0.00 O ATOM 588 CB LYS A 34 -3.558 -8.216 -7.623 1.00 0.00 C ATOM 589 CG LYS A 34 -2.723 -9.241 -8.400 1.00 0.00 C ATOM 590 CD LYS A 34 -3.646 -10.230 -9.125 1.00 0.00 C ATOM 591 CE LYS A 34 -4.522 -9.488 -10.141 1.00 0.00 C ATOM 592 NZ LYS A 34 -5.275 -10.436 -10.981 1.00 0.00 N ATOM 0 H LYS A 34 -2.873 -9.144 -5.411 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.804 -7.062 -7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.364 -8.720 -7.090 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.023 -7.514 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.085 -8.730 -9.122 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.065 -9.779 -7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.051 -10.989 -9.633 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.275 -10.749 -8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.216 -8.831 -9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.897 -8.855 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.860 -9.909 -11.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.610 -11.046 -11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.887 -11.023 -10.379 1.00 0.00 H new ATOM 606 N PHE A 35 -2.985 -5.072 -6.260 1.00 0.00 N ATOM 607 CA PHE A 35 -3.636 -3.877 -5.736 1.00 0.00 C ATOM 608 C PHE A 35 -4.672 -3.379 -6.750 1.00 0.00 C ATOM 609 O PHE A 35 -4.918 -4.041 -7.759 1.00 0.00 O ATOM 610 CB PHE A 35 -2.573 -2.809 -5.450 1.00 0.00 C ATOM 611 CG PHE A 35 -1.693 -3.145 -4.261 1.00 0.00 C ATOM 612 CD1 PHE A 35 -0.675 -4.105 -4.386 1.00 0.00 C ATOM 613 CD2 PHE A 35 -1.899 -2.498 -3.028 1.00 0.00 C ATOM 614 CE1 PHE A 35 0.134 -4.419 -3.283 1.00 0.00 C ATOM 615 CE2 PHE A 35 -1.089 -2.813 -1.926 1.00 0.00 C ATOM 616 CZ PHE A 35 -0.072 -3.773 -2.052 1.00 0.00 C ATOM 0 H PHE A 35 -2.165 -4.881 -6.836 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.154 -4.102 -4.804 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.947 -2.683 -6.333 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.066 -1.854 -5.270 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.515 -4.602 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.681 -1.759 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.916 -5.158 -3.380 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.248 -2.317 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.551 -4.015 -1.204 1.00 0.00 H new ATOM 626 N ASN A 36 -5.285 -2.216 -6.485 1.00 0.00 N ATOM 627 CA ASN A 36 -6.308 -1.668 -7.370 1.00 0.00 C ATOM 628 C ASN A 36 -5.649 -0.984 -8.565 1.00 0.00 C ATOM 629 O ASN A 36 -5.852 -1.391 -9.706 1.00 0.00 O ATOM 630 CB ASN A 36 -7.189 -0.685 -6.593 1.00 0.00 C ATOM 631 CG ASN A 36 -8.335 -0.178 -7.460 1.00 0.00 C ATOM 632 OD1 ASN A 36 -9.370 -0.828 -7.566 1.00 0.00 O ATOM 633 ND2 ASN A 36 -8.151 0.989 -8.079 1.00 0.00 N ATOM 0 H ASN A 36 -5.087 -1.642 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.938 -2.475 -7.744 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.589 -1.173 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.587 0.157 -6.251 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.888 1.375 -8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.273 1.496 -7.962 1.00 0.00 H new ATOM 640 N ASN A 37 -4.857 0.058 -8.293 1.00 0.00 N ATOM 641 CA ASN A 37 -4.159 0.799 -9.334 1.00 0.00 C ATOM 642 C ASN A 37 -2.901 1.416 -8.727 1.00 0.00 C ATOM 643 O ASN A 37 -2.724 2.635 -8.738 1.00 0.00 O ATOM 644 CB ASN A 37 -5.095 1.866 -9.920 1.00 0.00 C ATOM 645 CG ASN A 37 -4.601 2.347 -11.284 1.00 0.00 C ATOM 646 OD1 ASN A 37 -5.148 1.960 -12.313 1.00 0.00 O ATOM 647 ND2 ASN A 37 -3.571 3.190 -11.292 1.00 0.00 N ATOM 0 H ASN A 37 -4.686 0.405 -7.349 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.863 0.140 -10.150 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.101 1.457 -10.018 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.160 2.712 -9.235 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.206 3.541 -12.177 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.147 3.485 -10.413 1.00 0.00 H new ATOM 654 N ARG A 38 -2.036 0.554 -8.183 1.00 0.00 N ATOM 655 CA ARG A 38 -0.803 0.973 -7.534 1.00 0.00 C ATOM 656 C ARG A 38 0.390 0.459 -8.340 1.00 0.00 C ATOM 657 O ARG A 38 0.213 -0.292 -9.300 1.00 0.00 O ATOM 658 CB ARG A 38 -0.780 0.419 -6.101 1.00 0.00 C ATOM 659 CG ARG A 38 -2.108 0.695 -5.381 1.00 0.00 C ATOM 660 CD ARG A 38 -2.328 2.197 -5.198 1.00 0.00 C ATOM 661 NE ARG A 38 -3.623 2.442 -4.560 1.00 0.00 N ATOM 662 CZ ARG A 38 -4.079 3.668 -4.264 1.00 0.00 C ATOM 663 NH1 ARG A 38 -3.350 4.750 -4.565 1.00 0.00 N ATOM 664 NH2 ARG A 38 -5.268 3.805 -3.666 1.00 0.00 N ATOM 0 H ARG A 38 -2.178 -0.456 -8.184 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.745 2.061 -7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.592 -0.654 -6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.040 0.873 -5.545 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.932 0.270 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.108 0.202 -4.409 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.528 2.618 -4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.290 2.699 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.208 1.639 -4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.444 4.644 -5.021 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.701 5.681 -4.338 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.822 2.980 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.620 4.735 -3.438 1.00 0.00 H new ATOM 678 N THR A 39 1.611 0.866 -7.958 1.00 0.00 N ATOM 679 CA THR A 39 2.814 0.447 -8.669 1.00 0.00 C ATOM 680 C THR A 39 4.004 0.373 -7.710 1.00 0.00 C ATOM 681 O THR A 39 4.487 -0.719 -7.412 1.00 0.00 O ATOM 682 CB THR A 39 3.090 1.426 -9.823 1.00 0.00 C ATOM 683 OG1 THR A 39 1.938 1.545 -10.629 1.00 0.00 O ATOM 684 CG2 THR A 39 4.251 0.908 -10.677 1.00 0.00 C ATOM 0 H THR A 39 1.784 1.482 -7.164 1.00 0.00 H new ATOM 0 HA THR A 39 2.663 -0.550 -9.083 1.00 0.00 H new ATOM 0 HB THR A 39 3.350 2.400 -9.409 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.115 2.170 -11.363 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.442 1.605 -11.493 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.145 0.818 -10.060 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.994 -0.068 -11.087 1.00 0.00 H new ATOM 692 N SER A 40 4.485 1.530 -7.230 1.00 0.00 N ATOM 693 CA SER A 40 5.633 1.570 -6.334 1.00 0.00 C ATOM 694 C SER A 40 5.637 2.872 -5.538 1.00 0.00 C ATOM 695 O SER A 40 5.591 2.846 -4.310 1.00 0.00 O ATOM 696 CB SER A 40 6.920 1.428 -7.154 1.00 0.00 C ATOM 697 OG SER A 40 8.039 1.524 -6.301 1.00 0.00 O ATOM 0 H SER A 40 4.092 2.445 -7.451 1.00 0.00 H new ATOM 0 HA SER A 40 5.572 0.744 -5.626 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.928 0.470 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.964 2.205 -7.917 1.00 0.00 H new ATOM 0 HG SER A 40 7.885 0.984 -5.498 1.00 0.00 H new ATOM 703 N VAL A 41 5.691 4.014 -6.238 1.00 0.00 N ATOM 704 CA VAL A 41 5.707 5.320 -5.590 1.00 0.00 C ATOM 705 C VAL A 41 4.474 5.474 -4.693 1.00 0.00 C ATOM 706 O VAL A 41 4.553 6.076 -3.626 1.00 0.00 O ATOM 707 CB VAL A 41 5.776 6.424 -6.662 1.00 0.00 C ATOM 708 CG1 VAL A 41 4.482 6.464 -7.485 1.00 0.00 C ATOM 709 CG2 VAL A 41 5.995 7.784 -5.991 1.00 0.00 C ATOM 0 H VAL A 41 5.724 4.052 -7.257 1.00 0.00 H new ATOM 0 HA VAL A 41 6.588 5.410 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 41 6.609 6.204 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.553 7.251 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.335 5.503 -7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.638 6.666 -6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.043 8.562 -6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.168 7.992 -5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.930 7.767 -5.430 1.00 0.00 H new ATOM 719 N MET A 42 3.337 4.916 -5.131 1.00 0.00 N ATOM 720 CA MET A 42 2.098 4.973 -4.373 1.00 0.00 C ATOM 721 C MET A 42 2.284 4.278 -3.023 1.00 0.00 C ATOM 722 O MET A 42 1.956 4.844 -1.981 1.00 0.00 O ATOM 723 CB MET A 42 0.989 4.289 -5.179 1.00 0.00 C ATOM 724 CG MET A 42 0.496 5.218 -6.291 1.00 0.00 C ATOM 725 SD MET A 42 -0.526 6.591 -5.698 1.00 0.00 S ATOM 726 CE MET A 42 -0.970 7.326 -7.291 1.00 0.00 C ATOM 0 H MET A 42 3.259 4.417 -6.017 1.00 0.00 H new ATOM 0 HA MET A 42 1.822 6.012 -4.191 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.362 3.360 -5.610 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.161 4.025 -4.521 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.358 5.622 -6.823 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.078 4.635 -7.011 1.00 0.00 H new ATOM 0 HE1 MET A 42 -1.606 8.196 -7.126 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.065 7.633 -7.815 1.00 0.00 H new ATOM 0 HE3 MET A 42 -1.507 6.593 -7.893 1.00 0.00 H new ATOM 736 N LEU A 43 2.810 3.047 -3.051 1.00 0.00 N ATOM 737 CA LEU A 43 3.023 2.265 -1.844 1.00 0.00 C ATOM 738 C LEU A 43 4.018 2.984 -0.941 1.00 0.00 C ATOM 739 O LEU A 43 3.798 3.095 0.261 1.00 0.00 O ATOM 740 CB LEU A 43 3.556 0.869 -2.210 1.00 0.00 C ATOM 741 CG LEU A 43 2.446 0.003 -2.829 1.00 0.00 C ATOM 742 CD1 LEU A 43 2.365 0.238 -4.339 1.00 0.00 C ATOM 743 CD2 LEU A 43 2.756 -1.473 -2.575 1.00 0.00 C ATOM 0 H LEU A 43 3.096 2.575 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 43 2.076 2.151 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.383 0.964 -2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.950 0.380 -1.319 1.00 0.00 H new ATOM 0 HG LEU A 43 1.494 0.274 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.575 -0.382 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.145 1.288 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.318 -0.024 -4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.971 -2.090 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.713 -1.727 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.805 -1.655 -1.501 1.00 0.00 H new ATOM 755 N LYS A 44 5.115 3.468 -1.533 1.00 0.00 N ATOM 756 CA LYS A 44 6.153 4.166 -0.797 1.00 0.00 C ATOM 757 C LYS A 44 5.562 5.355 -0.041 1.00 0.00 C ATOM 758 O LYS A 44 5.671 5.424 1.179 1.00 0.00 O ATOM 759 CB LYS A 44 7.236 4.623 -1.785 1.00 0.00 C ATOM 760 CG LYS A 44 8.453 5.160 -1.022 1.00 0.00 C ATOM 761 CD LYS A 44 9.376 5.926 -1.978 1.00 0.00 C ATOM 762 CE LYS A 44 9.927 4.983 -3.053 1.00 0.00 C ATOM 763 NZ LYS A 44 10.937 5.663 -3.885 1.00 0.00 N ATOM 0 H LYS A 44 5.300 3.383 -2.532 1.00 0.00 H new ATOM 0 HA LYS A 44 6.599 3.498 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.534 3.789 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.838 5.397 -2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.126 5.816 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.997 4.335 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.828 6.743 -2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.199 6.373 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.370 4.106 -2.580 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.111 4.627 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.295 5.003 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 10.505 6.485 -4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.725 5.980 -3.285 1.00 0.00 H new ATOM 777 N ASP A 45 4.943 6.292 -0.771 1.00 0.00 N ATOM 778 CA ASP A 45 4.371 7.494 -0.178 1.00 0.00 C ATOM 779 C ASP A 45 3.353 7.136 0.904 1.00 0.00 C ATOM 780 O ASP A 45 3.454 7.619 2.034 1.00 0.00 O ATOM 781 CB ASP A 45 3.709 8.329 -1.276 1.00 0.00 C ATOM 782 CG ASP A 45 3.023 9.552 -0.681 1.00 0.00 C ATOM 783 OD1 ASP A 45 3.756 10.509 -0.350 1.00 0.00 O ATOM 784 OD2 ASP A 45 1.779 9.505 -0.566 1.00 0.00 O ATOM 0 H ASP A 45 4.828 6.233 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 45 5.167 8.072 0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.458 8.643 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.980 7.722 -1.812 1.00 0.00 H new ATOM 789 N ARG A 46 2.370 6.297 0.556 1.00 0.00 N ATOM 790 CA ARG A 46 1.321 5.903 1.484 1.00 0.00 C ATOM 791 C ARG A 46 1.929 5.318 2.760 1.00 0.00 C ATOM 792 O ARG A 46 1.505 5.660 3.862 1.00 0.00 O ATOM 793 CB ARG A 46 0.394 4.894 0.795 1.00 0.00 C ATOM 794 CG ARG A 46 -0.707 4.418 1.756 1.00 0.00 C ATOM 795 CD ARG A 46 -1.511 5.612 2.280 1.00 0.00 C ATOM 796 NE ARG A 46 -2.770 5.169 2.893 1.00 0.00 N ATOM 797 CZ ARG A 46 -3.522 5.956 3.684 1.00 0.00 C ATOM 798 NH1 ARG A 46 -3.095 7.181 4.021 1.00 0.00 N ATOM 799 NH2 ARG A 46 -4.702 5.515 4.136 1.00 0.00 N ATOM 0 H ARG A 46 2.286 5.879 -0.371 1.00 0.00 H new ATOM 0 HA ARG A 46 0.737 6.777 1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.058 5.351 -0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.974 4.039 0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.370 3.722 1.243 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.261 3.877 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.919 6.161 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.723 6.300 1.462 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.090 4.218 2.710 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.196 7.520 3.678 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.669 7.774 4.621 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.030 4.584 3.881 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.273 6.110 4.736 1.00 0.00 H new ATOM 813 N TRP A 47 2.920 4.437 2.619 1.00 0.00 N ATOM 814 CA TRP A 47 3.558 3.824 3.769 1.00 0.00 C ATOM 815 C TRP A 47 4.344 4.870 4.561 1.00 0.00 C ATOM 816 O TRP A 47 4.436 4.775 5.781 1.00 0.00 O ATOM 817 CB TRP A 47 4.479 2.692 3.310 1.00 0.00 C ATOM 818 CG TRP A 47 5.031 1.868 4.430 1.00 0.00 C ATOM 819 CD1 TRP A 47 6.329 1.746 4.754 1.00 0.00 C ATOM 820 CD2 TRP A 47 4.312 1.050 5.402 1.00 0.00 C ATOM 821 NE1 TRP A 47 6.487 0.925 5.844 1.00 0.00 N ATOM 822 CE2 TRP A 47 5.264 0.462 6.291 1.00 0.00 C ATOM 823 CE3 TRP A 47 2.950 0.745 5.632 1.00 0.00 C ATOM 824 CZ2 TRP A 47 4.890 -0.379 7.342 1.00 0.00 C ATOM 825 CZ3 TRP A 47 2.567 -0.100 6.695 1.00 0.00 C ATOM 826 CH2 TRP A 47 3.535 -0.662 7.546 1.00 0.00 C ATOM 0 H TRP A 47 3.293 4.137 1.718 1.00 0.00 H new ATOM 0 HA TRP A 47 2.790 3.408 4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.928 2.042 2.631 1.00 0.00 H new ATOM 0 HB3 TRP A 47 5.307 3.118 2.743 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.140 2.229 4.228 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.385 0.689 6.266 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.193 1.164 4.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 5.640 -0.807 7.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.521 -0.317 6.856 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.233 -1.311 8.355 1.00 0.00 H new ATOM 837 N ARG A 48 4.916 5.862 3.867 1.00 0.00 N ATOM 838 CA ARG A 48 5.712 6.896 4.514 1.00 0.00 C ATOM 839 C ARG A 48 4.840 7.751 5.431 1.00 0.00 C ATOM 840 O ARG A 48 5.143 7.884 6.613 1.00 0.00 O ATOM 841 CB ARG A 48 6.399 7.771 3.451 1.00 0.00 C ATOM 842 CG ARG A 48 7.888 7.929 3.782 1.00 0.00 C ATOM 843 CD ARG A 48 8.064 8.841 5.001 1.00 0.00 C ATOM 844 NE ARG A 48 9.470 8.878 5.429 1.00 0.00 N ATOM 845 CZ ARG A 48 10.039 7.921 6.187 1.00 0.00 C ATOM 846 NH1 ARG A 48 9.313 6.880 6.624 1.00 0.00 N ATOM 847 NH2 ARG A 48 11.336 8.009 6.507 1.00 0.00 N ATOM 0 H ARG A 48 4.838 5.965 2.855 1.00 0.00 H new ATOM 0 HA ARG A 48 6.478 6.418 5.124 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.283 7.319 2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 48 5.921 8.750 3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 48 8.329 6.953 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.416 8.348 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.727 9.849 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.439 8.485 5.820 1.00 0.00 H new ATOM 0 HE ARG A 48 10.044 9.669 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.324 6.810 6.382 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.750 6.159 7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 48 11.890 8.799 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.770 7.286 7.081 1.00 0.00 H new ATOM 861 N THR A 49 3.764 8.343 4.892 1.00 0.00 N ATOM 862 CA THR A 49 2.905 9.219 5.681 1.00 0.00 C ATOM 863 C THR A 49 2.323 8.464 6.884 1.00 0.00 C ATOM 864 O THR A 49 2.219 9.033 7.972 1.00 0.00 O ATOM 865 CB THR A 49 1.807 9.840 4.797 1.00 0.00 C ATOM 866 OG1 THR A 49 1.061 10.760 5.565 1.00 0.00 O ATOM 867 CG2 THR A 49 0.870 8.767 4.241 1.00 0.00 C ATOM 0 H THR A 49 3.475 8.229 3.921 1.00 0.00 H new ATOM 0 HA THR A 49 3.504 10.040 6.075 1.00 0.00 H new ATOM 0 HB THR A 49 2.284 10.345 3.957 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.361 11.160 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.106 9.237 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.442 8.061 3.639 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.393 8.238 5.066 1.00 0.00 H new ATOM 875 N MET A 50 1.953 7.185 6.701 1.00 0.00 N ATOM 876 CA MET A 50 1.421 6.386 7.797 1.00 0.00 C ATOM 877 C MET A 50 2.526 6.142 8.824 1.00 0.00 C ATOM 878 O MET A 50 2.322 6.367 10.017 1.00 0.00 O ATOM 879 CB MET A 50 0.865 5.061 7.264 1.00 0.00 C ATOM 880 CG MET A 50 -0.457 5.313 6.527 1.00 0.00 C ATOM 881 SD MET A 50 -1.448 3.821 6.241 1.00 0.00 S ATOM 882 CE MET A 50 -0.186 2.760 5.499 1.00 0.00 C ATOM 0 H MET A 50 2.015 6.694 5.809 1.00 0.00 H new ATOM 0 HA MET A 50 0.604 6.922 8.279 1.00 0.00 H new ATOM 0 HB2 MET A 50 1.586 4.598 6.590 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.706 4.365 8.088 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.050 6.024 7.102 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.241 5.781 5.567 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.666 1.916 5.003 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.387 3.332 4.769 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.483 2.391 6.277 1.00 0.00 H new ATOM 892 N LYS A 51 3.700 5.694 8.359 1.00 0.00 N ATOM 893 CA LYS A 51 4.844 5.458 9.231 1.00 0.00 C ATOM 894 C LYS A 51 5.550 6.792 9.497 1.00 0.00 C ATOM 895 O LYS A 51 6.748 6.937 9.239 1.00 0.00 O ATOM 896 CB LYS A 51 5.787 4.444 8.566 1.00 0.00 C ATOM 897 CG LYS A 51 6.742 3.858 9.613 1.00 0.00 C ATOM 898 CD LYS A 51 7.789 2.984 8.914 1.00 0.00 C ATOM 899 CE LYS A 51 8.569 2.165 9.950 1.00 0.00 C ATOM 900 NZ LYS A 51 9.243 3.035 10.931 1.00 0.00 N ATOM 0 H LYS A 51 3.876 5.488 7.376 1.00 0.00 H new ATOM 0 HA LYS A 51 4.521 5.043 10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.208 3.646 8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.356 4.929 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.232 4.661 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.185 3.266 10.339 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.301 2.316 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.475 3.610 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.888 1.490 10.468 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.309 1.545 9.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.868 2.461 11.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.806 3.751 10.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.531 3.507 11.524 1.00 0.00 H new