USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 531 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 60 SER OG : rot -120:sc= 0.181 USER MOD Set 1.2: A 63 GLN : amide:sc= 0.25 K(o=0.29,f=-3.2!) USER MOD Set 1.3: A 67 HIS : no HD1:sc= -0.136 K(o=0.29,f=-0.55) USER MOD Set 2.1: A 46 HIS :FLIP no HD1:sc= -0.315 F(o=-0.27,f=0.92) USER MOD Set 2.2: A 51 SER OG : rot -130:sc= 1.23 USER MOD Set 3.1: A 14 TYR OH : rot 180:sc=-0.00186 USER MOD Set 3.2: A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 12 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.32) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0506 (180deg=-0.33) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.78) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.56 F(o=-5.1,f=-1.6) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 41 GLN : amide:sc= 1.01 K(o=1,f=-0.47) USER MOD Single : A 49 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.4!) USER MOD Single : A 55 HIS : no HD1:sc= -0.0818 X(o=-0.082,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.074) USER MOD Single : A 58 ASN : amide:sc= 0.681 K(o=0.68,f=-3.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 68 GLN : amide:sc= -0.802 K(o=-0.8,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ -112:sc= 0.00722 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 10.808 -0.166 3.554 1.00 0.00 N ATOM 125 CA CYS A 9 12.041 0.298 2.955 1.00 0.00 C ATOM 126 C CYS A 9 12.506 -0.741 1.948 1.00 0.00 C ATOM 127 O CYS A 9 13.147 -1.732 2.297 1.00 0.00 O ATOM 128 CB CYS A 9 13.114 0.559 4.016 1.00 0.00 C ATOM 129 SG CYS A 9 14.360 1.790 3.509 1.00 0.00 S ATOM 0 HA CYS A 9 11.865 1.247 2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 9 12.632 0.899 4.932 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.617 -0.379 4.250 1.00 0.00 H new ATOM 134 N CYS A 10 12.135 -0.529 0.702 1.00 0.00 N ATOM 135 CA CYS A 10 12.356 -1.516 -0.331 1.00 0.00 C ATOM 136 C CYS A 10 13.588 -1.193 -1.157 1.00 0.00 C ATOM 137 O CYS A 10 13.656 -0.154 -1.811 1.00 0.00 O ATOM 138 CB CYS A 10 11.129 -1.595 -1.237 1.00 0.00 C ATOM 139 SG CYS A 10 9.614 -2.130 -0.380 1.00 0.00 S ATOM 0 H CYS A 10 11.677 0.324 0.380 1.00 0.00 H new ATOM 0 HA CYS A 10 12.521 -2.479 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.956 -0.616 -1.684 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.336 -2.286 -2.054 1.00 0.00 H new ATOM 144 N THR A 11 14.556 -2.098 -1.123 1.00 0.00 N ATOM 145 CA THR A 11 15.733 -2.000 -1.971 1.00 0.00 C ATOM 146 C THR A 11 15.447 -2.611 -3.342 1.00 0.00 C ATOM 147 O THR A 11 16.321 -2.685 -4.206 1.00 0.00 O ATOM 148 CB THR A 11 16.929 -2.716 -1.323 1.00 0.00 C ATOM 149 OG1 THR A 11 16.524 -4.017 -0.861 1.00 0.00 O ATOM 150 CG2 THR A 11 17.477 -1.907 -0.158 1.00 0.00 C ATOM 0 H THR A 11 14.547 -2.914 -0.512 1.00 0.00 H new ATOM 0 HA THR A 11 15.980 -0.945 -2.093 1.00 0.00 H new ATOM 0 HB THR A 11 17.715 -2.821 -2.071 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.289 -4.471 -0.450 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.323 -2.433 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.804 -0.931 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.698 -1.776 0.593 1.00 0.00 H new ATOM 158 N GLN A 12 14.205 -3.042 -3.515 1.00 0.00 N ATOM 159 CA GLN A 12 13.746 -3.661 -4.747 1.00 0.00 C ATOM 160 C GLN A 12 12.252 -3.407 -4.928 1.00 0.00 C ATOM 161 O GLN A 12 11.585 -2.950 -4.001 1.00 0.00 O ATOM 162 CB GLN A 12 14.063 -5.170 -4.761 1.00 0.00 C ATOM 163 CG GLN A 12 13.928 -5.889 -3.415 1.00 0.00 C ATOM 164 CD GLN A 12 12.529 -5.847 -2.828 1.00 0.00 C ATOM 165 OE1 GLN A 12 11.686 -6.686 -3.141 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.294 -4.903 -1.929 1.00 0.00 N ATOM 0 H GLN A 12 13.483 -2.970 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 12 14.278 -3.211 -5.585 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.402 -5.655 -5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 12 15.082 -5.305 -5.124 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.227 -6.930 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.622 -5.441 -2.704 1.00 0.00 H new ATOM 0 HE21 GLN A 12 13.021 -4.226 -1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.386 -4.853 -1.467 1.00 0.00 H new ATOM 175 N LEU A 13 11.730 -3.690 -6.112 1.00 0.00 N ATOM 176 CA LEU A 13 10.324 -3.432 -6.400 1.00 0.00 C ATOM 177 C LEU A 13 9.692 -4.614 -7.125 1.00 0.00 C ATOM 178 O LEU A 13 10.377 -5.361 -7.820 1.00 0.00 O ATOM 179 CB LEU A 13 10.175 -2.165 -7.251 1.00 0.00 C ATOM 180 CG LEU A 13 10.583 -0.857 -6.571 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.533 0.292 -7.562 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.677 -0.574 -5.385 1.00 0.00 C ATOM 0 H LEU A 13 12.254 -4.096 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 13 9.809 -3.288 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.772 -2.285 -8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.135 -2.081 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 13 11.606 -0.958 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.826 1.216 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.218 0.092 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.519 0.395 -7.949 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.979 0.360 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.645 -0.490 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.755 -1.388 -4.665 1.00 0.00 H new ATOM 194 N TYR A 14 8.386 -4.787 -6.950 1.00 0.00 N ATOM 195 CA TYR A 14 7.661 -5.827 -7.666 1.00 0.00 C ATOM 196 C TYR A 14 7.157 -5.274 -8.996 1.00 0.00 C ATOM 197 O TYR A 14 7.224 -5.952 -10.025 1.00 0.00 O ATOM 198 CB TYR A 14 6.496 -6.355 -6.823 1.00 0.00 C ATOM 199 CG TYR A 14 5.788 -7.538 -7.443 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.371 -8.799 -7.444 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.537 -7.394 -8.029 1.00 0.00 C ATOM 202 CE1 TYR A 14 5.729 -9.881 -8.014 1.00 0.00 C ATOM 203 CE2 TYR A 14 3.890 -8.471 -8.599 1.00 0.00 C ATOM 204 CZ TYR A 14 4.488 -9.712 -8.589 1.00 0.00 C ATOM 205 OH TYR A 14 3.846 -10.781 -9.166 1.00 0.00 O ATOM 0 H TYR A 14 7.812 -4.224 -6.322 1.00 0.00 H new ATOM 0 HA TYR A 14 8.336 -6.661 -7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.870 -6.640 -5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.776 -5.551 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.342 -8.936 -6.992 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.063 -6.424 -8.039 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.197 -10.854 -8.009 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.918 -8.342 -9.052 1.00 0.00 H new ATOM 0 HH TYR A 14 2.981 -10.489 -9.523 1.00 0.00 H new ATOM 215 N ARG A 15 6.656 -4.035 -8.945 1.00 0.00 N ATOM 216 CA ARG A 15 6.246 -3.271 -10.133 1.00 0.00 C ATOM 217 C ARG A 15 4.922 -3.757 -10.724 1.00 0.00 C ATOM 218 O ARG A 15 4.017 -2.952 -10.959 1.00 0.00 O ATOM 219 CB ARG A 15 7.337 -3.295 -11.211 1.00 0.00 C ATOM 220 CG ARG A 15 8.637 -2.635 -10.784 1.00 0.00 C ATOM 221 CD ARG A 15 9.691 -2.742 -11.871 1.00 0.00 C ATOM 222 NE ARG A 15 10.021 -4.130 -12.179 1.00 0.00 N ATOM 223 CZ ARG A 15 10.493 -4.540 -13.353 1.00 0.00 C ATOM 224 NH1 ARG A 15 10.700 -3.671 -14.336 1.00 0.00 N ATOM 225 NH2 ARG A 15 10.758 -5.826 -13.536 1.00 0.00 N ATOM 0 H ARG A 15 6.522 -3.528 -8.070 1.00 0.00 H new ATOM 0 HA ARG A 15 6.097 -2.246 -9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.539 -4.330 -11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.963 -2.795 -12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.456 -1.586 -10.552 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.003 -3.105 -9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.333 -2.246 -12.773 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.592 -2.217 -11.555 1.00 0.00 H new ATOM 0 HE ARG A 15 9.881 -4.829 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.497 -2.682 -14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.062 -3.993 -15.234 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.600 -6.492 -12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.120 -6.149 -14.433 1.00 0.00 H new ATOM 239 N LYS A 16 4.816 -5.054 -10.974 1.00 0.00 N ATOM 240 CA LYS A 16 3.618 -5.624 -11.582 1.00 0.00 C ATOM 241 C LYS A 16 2.401 -5.440 -10.680 1.00 0.00 C ATOM 242 O LYS A 16 2.530 -5.409 -9.454 1.00 0.00 O ATOM 243 CB LYS A 16 3.818 -7.109 -11.880 1.00 0.00 C ATOM 244 CG LYS A 16 4.972 -7.396 -12.824 1.00 0.00 C ATOM 245 CD LYS A 16 4.968 -8.846 -13.280 1.00 0.00 C ATOM 246 CE LYS A 16 5.093 -9.807 -12.107 1.00 0.00 C ATOM 247 NZ LYS A 16 4.944 -11.227 -12.527 1.00 0.00 N ATOM 0 H LYS A 16 5.546 -5.735 -10.765 1.00 0.00 H new ATOM 0 HA LYS A 16 3.440 -5.093 -12.517 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.988 -7.638 -10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.901 -7.510 -12.311 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.906 -6.740 -13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.916 -7.172 -12.326 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.046 -9.054 -13.823 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.792 -9.011 -13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.063 -9.671 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.334 -9.569 -11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.036 -11.846 -11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.008 -11.365 -12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.683 -11.464 -13.219 1.00 0.00 H new ATOM 261 N PRO A 17 1.207 -5.302 -11.281 1.00 0.00 N ATOM 262 CA PRO A 17 -0.047 -5.149 -10.536 1.00 0.00 C ATOM 263 C PRO A 17 -0.311 -6.322 -9.597 1.00 0.00 C ATOM 264 O PRO A 17 0.057 -7.466 -9.888 1.00 0.00 O ATOM 265 CB PRO A 17 -1.118 -5.088 -11.629 1.00 0.00 C ATOM 266 CG PRO A 17 -0.387 -4.680 -12.861 1.00 0.00 C ATOM 267 CD PRO A 17 0.986 -5.270 -12.737 1.00 0.00 C ATOM 0 HA PRO A 17 -0.029 -4.268 -9.895 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.604 -6.055 -11.760 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.899 -4.370 -11.377 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.891 -5.048 -13.755 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.340 -3.594 -12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.037 -6.267 -13.174 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.734 -4.661 -13.245 1.00 0.00 H new ATOM 275 N LEU A 18 -0.959 -6.036 -8.478 1.00 0.00 N ATOM 276 CA LEU A 18 -1.190 -7.042 -7.455 1.00 0.00 C ATOM 277 C LEU A 18 -2.566 -7.676 -7.610 1.00 0.00 C ATOM 278 O LEU A 18 -3.447 -7.123 -8.273 1.00 0.00 O ATOM 279 CB LEU A 18 -1.041 -6.425 -6.063 1.00 0.00 C ATOM 280 CG LEU A 18 0.301 -5.739 -5.805 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.371 -5.215 -4.383 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.445 -6.702 -6.074 1.00 0.00 C ATOM 0 H LEU A 18 -1.334 -5.114 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.443 -7.826 -7.575 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.839 -5.697 -5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.182 -7.207 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 18 0.391 -4.892 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.334 -4.731 -4.221 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.430 -4.494 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.259 -6.044 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.394 -6.201 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.355 -7.567 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.407 -7.031 -7.113 1.00 0.00 H new ATOM 294 N SER A 19 -2.737 -8.839 -7.003 1.00 0.00 N ATOM 295 CA SER A 19 -3.989 -9.570 -7.086 1.00 0.00 C ATOM 296 C SER A 19 -4.965 -9.114 -6.005 1.00 0.00 C ATOM 297 O SER A 19 -4.614 -9.034 -4.830 1.00 0.00 O ATOM 298 CB SER A 19 -3.719 -11.068 -6.972 1.00 0.00 C ATOM 299 OG SER A 19 -2.816 -11.485 -7.982 1.00 0.00 O ATOM 0 H SER A 19 -2.019 -9.299 -6.444 1.00 0.00 H new ATOM 0 HA SER A 19 -4.449 -9.364 -8.053 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.306 -11.296 -5.989 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.654 -11.621 -7.061 1.00 0.00 H new ATOM 0 HG SER A 19 -2.651 -12.447 -7.896 1.00 0.00 H new ATOM 305 N ASP A 20 -6.191 -8.825 -6.421 1.00 0.00 N ATOM 306 CA ASP A 20 -7.225 -8.310 -5.527 1.00 0.00 C ATOM 307 C ASP A 20 -7.463 -9.255 -4.345 1.00 0.00 C ATOM 308 O ASP A 20 -7.786 -8.815 -3.241 1.00 0.00 O ATOM 309 CB ASP A 20 -8.525 -8.112 -6.308 1.00 0.00 C ATOM 310 CG ASP A 20 -9.562 -7.311 -5.547 1.00 0.00 C ATOM 311 OD1 ASP A 20 -10.355 -7.916 -4.797 1.00 0.00 O ATOM 312 OD2 ASP A 20 -9.611 -6.075 -5.725 1.00 0.00 O ATOM 0 H ASP A 20 -6.499 -8.940 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.886 -7.354 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.303 -7.607 -7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.942 -9.087 -6.561 1.00 0.00 H new ATOM 317 N LYS A 21 -7.276 -10.552 -4.583 1.00 0.00 N ATOM 318 CA LYS A 21 -7.471 -11.562 -3.546 1.00 0.00 C ATOM 319 C LYS A 21 -6.488 -11.389 -2.390 1.00 0.00 C ATOM 320 O LYS A 21 -6.859 -11.553 -1.233 1.00 0.00 O ATOM 321 CB LYS A 21 -7.346 -12.967 -4.139 1.00 0.00 C ATOM 322 CG LYS A 21 -8.425 -13.281 -5.162 1.00 0.00 C ATOM 323 CD LYS A 21 -9.800 -13.391 -4.518 1.00 0.00 C ATOM 324 CE LYS A 21 -10.910 -13.254 -5.549 1.00 0.00 C ATOM 325 NZ LYS A 21 -10.981 -11.876 -6.107 1.00 0.00 N ATOM 0 H LYS A 21 -6.989 -10.928 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.477 -11.429 -3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.368 -13.071 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.393 -13.700 -3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.442 -12.501 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.185 -14.216 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.890 -14.351 -4.011 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.910 -12.617 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.744 -13.965 -6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.865 -13.510 -5.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.924 -11.714 -6.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.808 -11.185 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.261 -11.764 -6.849 1.00 0.00 H new ATOM 339 N LEU A 22 -5.232 -11.080 -2.693 1.00 0.00 N ATOM 340 CA LEU A 22 -4.269 -10.787 -1.638 1.00 0.00 C ATOM 341 C LEU A 22 -4.524 -9.392 -1.073 1.00 0.00 C ATOM 342 O LEU A 22 -4.294 -9.135 0.106 1.00 0.00 O ATOM 343 CB LEU A 22 -2.815 -10.947 -2.135 1.00 0.00 C ATOM 344 CG LEU A 22 -2.350 -10.003 -3.252 1.00 0.00 C ATOM 345 CD1 LEU A 22 -1.863 -8.675 -2.688 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.257 -10.657 -4.081 1.00 0.00 C ATOM 0 H LEU A 22 -4.862 -11.026 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.404 -11.512 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.150 -10.815 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.687 -11.972 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.207 -9.801 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.541 -8.029 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.674 -8.192 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.026 -8.852 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.939 -9.973 -4.868 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.407 -10.893 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.640 -11.574 -4.529 1.00 0.00 H new ATOM 358 N LEU A 23 -5.040 -8.507 -1.923 1.00 0.00 N ATOM 359 CA LEU A 23 -5.263 -7.113 -1.549 1.00 0.00 C ATOM 360 C LEU A 23 -6.332 -6.977 -0.462 1.00 0.00 C ATOM 361 O LEU A 23 -6.161 -6.214 0.483 1.00 0.00 O ATOM 362 CB LEU A 23 -5.637 -6.285 -2.782 1.00 0.00 C ATOM 363 CG LEU A 23 -4.496 -6.049 -3.774 1.00 0.00 C ATOM 364 CD1 LEU A 23 -4.987 -5.269 -4.982 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.351 -5.312 -3.098 1.00 0.00 C ATOM 0 H LEU A 23 -5.313 -8.732 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.331 -6.729 -1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.453 -6.785 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.016 -5.318 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.133 -7.018 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.160 -5.112 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.777 -5.830 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.377 -4.304 -4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.547 -5.152 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.705 -4.350 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.979 -5.906 -2.263 1.00 0.00 H new ATOM 377 N ARG A 24 -7.427 -7.721 -0.583 1.00 0.00 N ATOM 378 CA ARG A 24 -8.480 -7.709 0.435 1.00 0.00 C ATOM 379 C ARG A 24 -7.936 -8.149 1.795 1.00 0.00 C ATOM 380 O ARG A 24 -8.558 -7.910 2.830 1.00 0.00 O ATOM 381 CB ARG A 24 -9.637 -8.629 0.029 1.00 0.00 C ATOM 382 CG ARG A 24 -9.211 -10.075 -0.141 1.00 0.00 C ATOM 383 CD ARG A 24 -10.390 -11.013 -0.325 1.00 0.00 C ATOM 384 NE ARG A 24 -9.937 -12.384 -0.557 1.00 0.00 N ATOM 385 CZ ARG A 24 -9.811 -13.300 0.402 1.00 0.00 C ATOM 386 NH1 ARG A 24 -10.193 -13.028 1.643 1.00 0.00 N ATOM 387 NH2 ARG A 24 -9.324 -14.500 0.109 1.00 0.00 N ATOM 0 H ARG A 24 -7.611 -8.340 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.845 -6.685 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.421 -8.573 0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.069 -8.271 -0.906 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.549 -10.156 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.637 -10.386 0.732 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.026 -10.981 0.559 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.997 -10.679 -1.167 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.703 -12.656 -1.512 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.586 -12.114 1.867 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.094 -13.733 2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.048 -14.718 -0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.226 -15.203 0.841 1.00 0.00 H new ATOM 401 N LYS A 25 -6.775 -8.795 1.784 1.00 0.00 N ATOM 402 CA LYS A 25 -6.155 -9.285 3.004 1.00 0.00 C ATOM 403 C LYS A 25 -5.094 -8.311 3.506 1.00 0.00 C ATOM 404 O LYS A 25 -4.415 -8.570 4.504 1.00 0.00 O ATOM 405 CB LYS A 25 -5.546 -10.663 2.778 1.00 0.00 C ATOM 406 CG LYS A 25 -6.573 -11.717 2.401 1.00 0.00 C ATOM 407 CD LYS A 25 -5.954 -13.101 2.322 1.00 0.00 C ATOM 408 CE LYS A 25 -4.775 -13.127 1.368 1.00 0.00 C ATOM 409 NZ LYS A 25 -4.171 -14.481 1.269 1.00 0.00 N ATOM 0 H LYS A 25 -6.243 -8.991 0.936 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.929 -9.367 3.767 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.797 -10.597 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.028 -10.977 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.378 -11.720 3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.020 -11.463 1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.628 -13.412 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.705 -13.819 1.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.101 -12.802 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.020 -12.417 1.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.369 -14.456 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.837 -14.782 2.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.884 -15.155 0.923 1.00 0.00 H new ATOM 423 N VAL A 26 -4.952 -7.197 2.801 1.00 0.00 N ATOM 424 CA VAL A 26 -4.082 -6.124 3.220 1.00 0.00 C ATOM 425 C VAL A 26 -4.692 -5.426 4.431 1.00 0.00 C ATOM 426 O VAL A 26 -5.912 -5.334 4.549 1.00 0.00 O ATOM 427 CB VAL A 26 -3.870 -5.126 2.056 1.00 0.00 C ATOM 428 CG1 VAL A 26 -3.342 -3.795 2.541 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.925 -5.714 1.022 1.00 0.00 C ATOM 0 H VAL A 26 -5.440 -7.019 1.923 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.109 -6.528 3.499 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.843 -4.949 1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.208 -3.125 1.691 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.052 -3.355 3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.385 -3.944 3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.785 -5.001 0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.963 -5.926 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.348 -6.637 0.626 1.00 0.00 H new ATOM 439 N ILE A 27 -3.849 -4.973 5.342 1.00 0.00 N ATOM 440 CA ILE A 27 -4.333 -4.323 6.550 1.00 0.00 C ATOM 441 C ILE A 27 -3.969 -2.845 6.571 1.00 0.00 C ATOM 442 O ILE A 27 -4.677 -2.036 7.166 1.00 0.00 O ATOM 443 CB ILE A 27 -3.793 -5.001 7.829 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.259 -5.033 7.826 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.362 -6.408 7.960 1.00 0.00 C ATOM 446 CD1 ILE A 27 -1.658 -5.575 9.107 1.00 0.00 C ATOM 0 H ILE A 27 -2.834 -5.042 5.271 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.418 -4.423 6.537 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.114 -4.415 8.691 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.919 -5.643 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.884 -4.024 7.658 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.974 -6.875 8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.449 -6.357 8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.071 -7.000 7.093 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.571 -5.567 9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.967 -4.952 9.946 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.003 -6.597 9.267 1.00 0.00 H new ATOM 458 N GLN A 28 -2.864 -2.495 5.920 1.00 0.00 N ATOM 459 CA GLN A 28 -2.383 -1.118 5.924 1.00 0.00 C ATOM 460 C GLN A 28 -1.650 -0.778 4.639 1.00 0.00 C ATOM 461 O GLN A 28 -1.096 -1.654 3.970 1.00 0.00 O ATOM 462 CB GLN A 28 -1.447 -0.871 7.113 1.00 0.00 C ATOM 463 CG GLN A 28 -2.167 -0.717 8.440 1.00 0.00 C ATOM 464 CD GLN A 28 -3.123 0.460 8.446 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.895 1.466 7.771 1.00 0.00 O ATOM 466 NE2 GLN A 28 -4.194 0.343 9.209 1.00 0.00 N ATOM 0 H GLN A 28 -2.287 -3.143 5.385 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.260 -0.476 6.009 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.743 -1.700 7.187 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.862 0.028 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.719 -1.631 8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.433 -0.590 9.236 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.343 -0.508 9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.872 1.103 9.256 1.00 0.00 H new ATOM 475 N VAL A 29 -1.670 0.500 4.299 1.00 0.00 N ATOM 476 CA VAL A 29 -0.852 1.026 3.221 1.00 0.00 C ATOM 477 C VAL A 29 0.291 1.838 3.824 1.00 0.00 C ATOM 478 O VAL A 29 0.077 2.639 4.736 1.00 0.00 O ATOM 479 CB VAL A 29 -1.682 1.896 2.240 1.00 0.00 C ATOM 480 CG1 VAL A 29 -2.378 3.038 2.971 1.00 0.00 C ATOM 481 CG2 VAL A 29 -0.808 2.436 1.115 1.00 0.00 C ATOM 0 H VAL A 29 -2.252 1.199 4.761 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.453 0.192 2.644 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.449 1.257 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.952 3.630 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.049 2.631 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.632 3.671 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.414 3.042 0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.011 3.049 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.373 1.604 0.561 1.00 0.00 H new ATOM 491 N GLU A 30 1.500 1.602 3.350 1.00 0.00 N ATOM 492 CA GLU A 30 2.668 2.254 3.911 1.00 0.00 C ATOM 493 C GLU A 30 3.511 2.908 2.825 1.00 0.00 C ATOM 494 O GLU A 30 3.369 2.605 1.641 1.00 0.00 O ATOM 495 CB GLU A 30 3.481 1.249 4.730 1.00 0.00 C ATOM 496 CG GLU A 30 3.633 -0.109 4.072 1.00 0.00 C ATOM 497 CD GLU A 30 3.777 -1.224 5.096 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.002 -1.236 6.083 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.667 -2.086 4.928 1.00 0.00 O ATOM 0 H GLU A 30 1.699 0.965 2.579 1.00 0.00 H new ATOM 0 HA GLU A 30 2.338 3.052 4.577 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.472 1.664 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.004 1.118 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.766 -0.306 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.506 -0.100 3.420 1.00 0.00 H new ATOM 506 N LEU A 31 4.379 3.817 3.231 1.00 0.00 N ATOM 507 CA LEU A 31 5.145 4.610 2.289 1.00 0.00 C ATOM 508 C LEU A 31 6.611 4.672 2.684 1.00 0.00 C ATOM 509 O LEU A 31 6.958 5.168 3.758 1.00 0.00 O ATOM 510 CB LEU A 31 4.560 6.028 2.214 1.00 0.00 C ATOM 511 CG LEU A 31 5.390 7.053 1.431 1.00 0.00 C ATOM 512 CD1 LEU A 31 5.514 6.651 -0.030 1.00 0.00 C ATOM 513 CD2 LEU A 31 4.768 8.436 1.548 1.00 0.00 C ATOM 0 H LEU A 31 4.571 4.024 4.211 1.00 0.00 H new ATOM 0 HA LEU A 31 5.082 4.135 1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.570 5.969 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.424 6.399 3.230 1.00 0.00 H new ATOM 0 HG LEU A 31 6.391 7.080 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.107 7.394 -0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.003 5.679 -0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.521 6.591 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.368 9.153 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.756 8.415 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.734 8.732 2.596 1.00 0.00 H new ATOM 525 N GLN A 32 7.466 4.148 1.818 1.00 0.00 N ATOM 526 CA GLN A 32 8.893 4.355 1.959 1.00 0.00 C ATOM 527 C GLN A 32 9.203 5.776 1.531 1.00 0.00 C ATOM 528 O GLN A 32 9.061 6.114 0.358 1.00 0.00 O ATOM 529 CB GLN A 32 9.695 3.365 1.108 1.00 0.00 C ATOM 530 CG GLN A 32 11.198 3.569 1.222 1.00 0.00 C ATOM 531 CD GLN A 32 11.997 2.657 0.310 1.00 0.00 C ATOM 532 OE1 GLN A 32 11.428 2.301 -0.827 1.00 0.00 O flip ATOM 533 NE2 GLN A 32 13.123 2.281 0.621 1.00 0.00 N flip ATOM 0 H GLN A 32 7.195 3.580 1.015 1.00 0.00 H new ATOM 0 HA GLN A 32 9.179 4.190 2.998 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.447 2.348 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.398 3.467 0.064 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.436 4.606 0.987 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.504 3.398 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 32 13.532 2.575 1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 32 13.650 1.674 -0.007 1.00 0.00 H new ATOM 542 N GLU A 33 9.583 6.611 2.477 1.00 0.00 N ATOM 543 CA GLU A 33 9.823 8.011 2.183 1.00 0.00 C ATOM 544 C GLU A 33 11.251 8.251 1.743 1.00 0.00 C ATOM 545 O GLU A 33 12.183 7.610 2.230 1.00 0.00 O ATOM 546 CB GLU A 33 9.466 8.881 3.382 1.00 0.00 C ATOM 547 CG GLU A 33 8.044 9.402 3.323 1.00 0.00 C ATOM 548 CD GLU A 33 7.878 10.515 2.306 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.219 10.313 1.121 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.406 11.605 2.694 1.00 0.00 O ATOM 0 H GLU A 33 9.732 6.347 3.451 1.00 0.00 H new ATOM 0 HA GLU A 33 9.176 8.291 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.600 8.304 4.297 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.156 9.724 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.370 8.583 3.074 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.752 9.767 4.308 1.00 0.00 H new ATOM 557 N ALA A 34 11.407 9.204 0.834 1.00 0.00 N ATOM 558 CA ALA A 34 12.694 9.487 0.215 1.00 0.00 C ATOM 559 C ALA A 34 13.608 10.281 1.142 1.00 0.00 C ATOM 560 O ALA A 34 14.735 10.614 0.774 1.00 0.00 O ATOM 561 CB ALA A 34 12.494 10.236 -1.092 1.00 0.00 C ATOM 0 H ALA A 34 10.647 9.801 0.506 1.00 0.00 H new ATOM 0 HA ALA A 34 13.179 8.532 0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.464 10.442 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.897 9.628 -1.772 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.978 11.176 -0.897 1.00 0.00 H new ATOM 567 N ASP A 35 13.123 10.582 2.338 1.00 0.00 N ATOM 568 CA ASP A 35 13.916 11.333 3.304 1.00 0.00 C ATOM 569 C ASP A 35 13.451 11.081 4.738 1.00 0.00 C ATOM 570 O ASP A 35 14.242 11.174 5.677 1.00 0.00 O ATOM 571 CB ASP A 35 13.848 12.834 2.994 1.00 0.00 C ATOM 572 CG ASP A 35 12.479 13.429 3.268 1.00 0.00 C ATOM 573 OD1 ASP A 35 11.559 13.222 2.448 1.00 0.00 O ATOM 574 OD2 ASP A 35 12.324 14.115 4.302 1.00 0.00 O ATOM 0 H ASP A 35 12.192 10.321 2.662 1.00 0.00 H new ATOM 0 HA ASP A 35 14.947 10.988 3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 35 14.593 13.358 3.592 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.107 12.997 1.948 1.00 0.00 H new ATOM 579 N GLY A 36 12.176 10.744 4.906 1.00 0.00 N ATOM 580 CA GLY A 36 11.616 10.596 6.242 1.00 0.00 C ATOM 581 C GLY A 36 11.883 9.238 6.867 1.00 0.00 C ATOM 582 O GLY A 36 11.282 8.899 7.887 1.00 0.00 O ATOM 0 H GLY A 36 11.520 10.571 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.029 11.371 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.539 10.760 6.196 1.00 0.00 H new ATOM 586 N ASP A 37 12.777 8.464 6.263 1.00 0.00 N ATOM 587 CA ASP A 37 13.130 7.140 6.772 1.00 0.00 C ATOM 588 C ASP A 37 14.216 6.523 5.904 1.00 0.00 C ATOM 589 O ASP A 37 15.288 6.159 6.386 1.00 0.00 O ATOM 590 CB ASP A 37 11.902 6.223 6.799 1.00 0.00 C ATOM 591 CG ASP A 37 12.186 4.880 7.440 1.00 0.00 C ATOM 592 OD1 ASP A 37 12.555 4.851 8.631 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.013 3.845 6.766 1.00 0.00 O ATOM 0 H ASP A 37 13.275 8.731 5.414 1.00 0.00 H new ATOM 0 HA ASP A 37 13.501 7.251 7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.097 6.717 7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.549 6.067 5.780 1.00 0.00 H new ATOM 598 N CYS A 38 13.928 6.418 4.620 1.00 0.00 N ATOM 599 CA CYS A 38 14.891 5.929 3.647 1.00 0.00 C ATOM 600 C CYS A 38 15.286 7.086 2.737 1.00 0.00 C ATOM 601 O CYS A 38 15.016 8.240 3.072 1.00 0.00 O ATOM 602 CB CYS A 38 14.274 4.784 2.848 1.00 0.00 C ATOM 603 SG CYS A 38 13.427 3.553 3.892 1.00 0.00 S ATOM 0 H CYS A 38 13.023 6.668 4.222 1.00 0.00 H new ATOM 0 HA CYS A 38 15.782 5.548 4.145 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.563 5.193 2.130 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.056 4.287 2.274 1.00 0.00 H new ATOM 608 N HIS A 39 15.948 6.812 1.618 1.00 0.00 N ATOM 609 CA HIS A 39 16.317 7.890 0.705 1.00 0.00 C ATOM 610 C HIS A 39 15.599 7.760 -0.642 1.00 0.00 C ATOM 611 O HIS A 39 15.789 8.582 -1.540 1.00 0.00 O ATOM 612 CB HIS A 39 17.838 7.955 0.515 1.00 0.00 C ATOM 613 CG HIS A 39 18.386 7.060 -0.560 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.948 7.550 -1.717 1.00 0.00 N ATOM 615 CD2 HIS A 39 18.470 5.710 -0.647 1.00 0.00 C ATOM 616 CE1 HIS A 39 19.353 6.546 -2.467 1.00 0.00 C ATOM 617 NE2 HIS A 39 19.074 5.420 -1.843 1.00 0.00 N ATOM 0 H HIS A 39 16.235 5.878 1.325 1.00 0.00 H new ATOM 0 HA HIS A 39 15.993 8.827 1.158 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.116 8.984 0.286 1.00 0.00 H new ATOM 0 HB3 HIS A 39 18.318 7.698 1.459 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.126 4.997 0.088 1.00 0.00 H new ATOM 0 HE1 HIS A 39 19.833 6.631 -3.431 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.275 4.483 -2.193 1.00 0.00 H new ATOM 626 N LEU A 40 14.775 6.731 -0.782 1.00 0.00 N ATOM 627 CA LEU A 40 13.976 6.565 -1.990 1.00 0.00 C ATOM 628 C LEU A 40 12.517 6.380 -1.602 1.00 0.00 C ATOM 629 O LEU A 40 12.220 6.058 -0.454 1.00 0.00 O ATOM 630 CB LEU A 40 14.467 5.380 -2.829 1.00 0.00 C ATOM 631 CG LEU A 40 14.101 3.996 -2.301 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.245 3.256 -3.320 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.358 3.201 -1.976 1.00 0.00 C ATOM 0 H LEU A 40 14.642 6.003 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 40 14.080 7.459 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.065 5.482 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.552 5.442 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 40 13.525 4.112 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.990 2.270 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.331 3.820 -3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.800 3.148 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 40 15.079 2.216 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.960 3.088 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.936 3.728 -1.217 1.00 0.00 H new ATOM 645 N GLN A 41 11.613 6.579 -2.547 1.00 0.00 N ATOM 646 CA GLN A 41 10.194 6.574 -2.237 1.00 0.00 C ATOM 647 C GLN A 41 9.464 5.430 -2.938 1.00 0.00 C ATOM 648 O GLN A 41 9.668 5.181 -4.129 1.00 0.00 O ATOM 649 CB GLN A 41 9.576 7.917 -2.620 1.00 0.00 C ATOM 650 CG GLN A 41 8.098 8.025 -2.301 1.00 0.00 C ATOM 651 CD GLN A 41 7.547 9.406 -2.582 1.00 0.00 C ATOM 652 OE1 GLN A 41 7.098 9.696 -3.691 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.569 10.265 -1.576 1.00 0.00 N ATOM 0 H GLN A 41 11.835 6.745 -3.529 1.00 0.00 H new ATOM 0 HA GLN A 41 10.084 6.418 -1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.109 8.713 -2.100 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.720 8.081 -3.688 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.548 7.291 -2.889 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.937 7.779 -1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.950 9.983 -0.673 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.205 11.209 -1.703 1.00 0.00 H new ATOM 662 N ALA A 42 8.615 4.739 -2.187 1.00 0.00 N ATOM 663 CA ALA A 42 7.816 3.645 -2.722 1.00 0.00 C ATOM 664 C ALA A 42 6.551 3.451 -1.905 1.00 0.00 C ATOM 665 O ALA A 42 6.596 3.425 -0.676 1.00 0.00 O ATOM 666 CB ALA A 42 8.612 2.349 -2.746 1.00 0.00 C ATOM 0 H ALA A 42 8.462 4.920 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 42 7.542 3.908 -3.744 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.992 1.549 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.495 2.476 -3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.921 2.093 -1.732 1.00 0.00 H new ATOM 672 N PHE A 43 5.428 3.318 -2.587 1.00 0.00 N ATOM 673 CA PHE A 43 4.175 3.004 -1.927 1.00 0.00 C ATOM 674 C PHE A 43 4.052 1.501 -1.750 1.00 0.00 C ATOM 675 O PHE A 43 3.951 0.748 -2.718 1.00 0.00 O ATOM 676 CB PHE A 43 2.987 3.556 -2.709 1.00 0.00 C ATOM 677 CG PHE A 43 2.614 4.954 -2.311 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.805 5.171 -1.209 1.00 0.00 C ATOM 679 CD2 PHE A 43 3.067 6.046 -3.032 1.00 0.00 C ATOM 680 CE1 PHE A 43 1.455 6.452 -0.831 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.720 7.331 -2.660 1.00 0.00 C ATOM 682 CZ PHE A 43 1.912 7.534 -1.558 1.00 0.00 C ATOM 0 H PHE A 43 5.359 3.423 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 43 4.170 3.479 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.222 3.539 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.128 2.902 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.443 4.328 -0.638 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.698 5.892 -3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.825 6.608 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.080 8.175 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 43 1.638 8.537 -1.265 1.00 0.00 H new ATOM 692 N VAL A 44 4.076 1.074 -0.507 1.00 0.00 N ATOM 693 CA VAL A 44 4.135 -0.332 -0.182 1.00 0.00 C ATOM 694 C VAL A 44 2.817 -0.796 0.423 1.00 0.00 C ATOM 695 O VAL A 44 2.207 -0.093 1.228 1.00 0.00 O ATOM 696 CB VAL A 44 5.313 -0.595 0.779 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.343 -2.036 1.261 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.615 -0.238 0.086 1.00 0.00 C ATOM 0 H VAL A 44 4.055 1.691 0.305 1.00 0.00 H new ATOM 0 HA VAL A 44 4.299 -0.904 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 44 5.181 0.032 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.188 -2.177 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.416 -2.263 1.788 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.446 -2.704 0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.450 -0.423 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.731 -0.850 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.601 0.815 -0.194 1.00 0.00 H new ATOM 708 N LEU A 45 2.366 -1.966 0.008 1.00 0.00 N ATOM 709 CA LEU A 45 1.094 -2.495 0.462 1.00 0.00 C ATOM 710 C LEU A 45 1.319 -3.647 1.425 1.00 0.00 C ATOM 711 O LEU A 45 2.004 -4.618 1.104 1.00 0.00 O ATOM 712 CB LEU A 45 0.249 -2.922 -0.735 1.00 0.00 C ATOM 713 CG LEU A 45 -0.034 -1.794 -1.726 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.885 -2.284 -2.886 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.710 -0.632 -1.018 1.00 0.00 C ATOM 0 H LEU A 45 2.865 -2.570 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 45 0.550 -1.717 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.759 -3.732 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.699 -3.322 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 45 0.917 -1.451 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.070 -1.460 -3.575 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.361 -3.084 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.835 -2.660 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.907 0.166 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.651 -0.969 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.058 -0.258 -0.228 1.00 0.00 H new ATOM 727 N HIS A 46 0.731 -3.531 2.603 1.00 0.00 N ATOM 728 CA HIS A 46 1.042 -4.427 3.704 1.00 0.00 C ATOM 729 C HIS A 46 -0.138 -5.325 4.067 1.00 0.00 C ATOM 730 O HIS A 46 -1.141 -4.866 4.616 1.00 0.00 O ATOM 731 CB HIS A 46 1.473 -3.586 4.909 1.00 0.00 C ATOM 732 CG HIS A 46 1.766 -4.360 6.157 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.416 -5.531 6.352 1.00 0.00 N flip ATOM 734 CD2 HIS A 46 1.375 -3.932 7.404 1.00 0.00 C flip ATOM 735 CE1 HIS A 46 2.398 -5.787 7.701 1.00 0.00 C flip ATOM 736 NE2 HIS A 46 1.764 -4.802 8.310 1.00 0.00 N flip ATOM 0 H HIS A 46 0.032 -2.821 2.823 1.00 0.00 H new ATOM 0 HA HIS A 46 1.851 -5.090 3.398 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.363 -3.018 4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.687 -2.862 5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.832 -3.021 7.608 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.831 -6.651 8.184 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.603 -4.728 9.315 1.00 0.00 H new ATOM 745 N LEU A 47 0.000 -6.608 3.757 1.00 0.00 N ATOM 746 CA LEU A 47 -0.953 -7.614 4.197 1.00 0.00 C ATOM 747 C LEU A 47 -0.657 -7.951 5.648 1.00 0.00 C ATOM 748 O LEU A 47 0.403 -7.593 6.156 1.00 0.00 O ATOM 749 CB LEU A 47 -0.856 -8.893 3.348 1.00 0.00 C ATOM 750 CG LEU A 47 -1.207 -8.760 1.862 1.00 0.00 C ATOM 751 CD1 LEU A 47 -0.086 -8.082 1.089 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.506 -10.129 1.272 1.00 0.00 C ATOM 0 H LEU A 47 0.770 -6.976 3.198 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.961 -7.215 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.162 -9.276 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.513 -9.644 3.787 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.096 -8.135 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.365 -8.002 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.085 -7.085 1.496 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.826 -8.672 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.754 -10.024 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.630 -10.770 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.348 -10.577 1.800 1.00 0.00 H new ATOM 764 N ALA A 48 -1.561 -8.658 6.304 1.00 0.00 N ATOM 765 CA ALA A 48 -1.392 -8.986 7.719 1.00 0.00 C ATOM 766 C ALA A 48 -0.110 -9.781 7.975 1.00 0.00 C ATOM 767 O ALA A 48 0.362 -9.857 9.107 1.00 0.00 O ATOM 768 CB ALA A 48 -2.596 -9.757 8.226 1.00 0.00 C ATOM 0 H ALA A 48 -2.419 -9.017 5.886 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.308 -8.046 8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.458 -9.995 9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.494 -9.150 8.106 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.703 -10.680 7.657 1.00 0.00 H new ATOM 774 N GLN A 49 0.455 -10.363 6.923 1.00 0.00 N ATOM 775 CA GLN A 49 1.662 -11.169 7.055 1.00 0.00 C ATOM 776 C GLN A 49 2.888 -10.401 6.561 1.00 0.00 C ATOM 777 O GLN A 49 3.885 -10.285 7.269 1.00 0.00 O ATOM 778 CB GLN A 49 1.540 -12.485 6.267 1.00 0.00 C ATOM 779 CG GLN A 49 0.127 -13.043 6.181 1.00 0.00 C ATOM 780 CD GLN A 49 -0.703 -12.347 5.117 1.00 0.00 C ATOM 781 OE1 GLN A 49 -0.176 -11.905 4.094 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.994 -12.216 5.357 1.00 0.00 N ATOM 0 H GLN A 49 0.097 -10.292 5.971 1.00 0.00 H new ATOM 0 HA GLN A 49 1.783 -11.398 8.114 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.915 -12.324 5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.184 -13.232 6.731 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.173 -14.110 5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.363 -12.936 7.149 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.394 -12.595 6.215 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.592 -11.736 4.684 1.00 0.00 H new ATOM 791 N ARG A 50 2.802 -9.857 5.352 1.00 0.00 N ATOM 792 CA ARG A 50 3.971 -9.278 4.695 1.00 0.00 C ATOM 793 C ARG A 50 3.596 -8.090 3.812 1.00 0.00 C ATOM 794 O ARG A 50 2.417 -7.849 3.557 1.00 0.00 O ATOM 795 CB ARG A 50 4.692 -10.357 3.870 1.00 0.00 C ATOM 796 CG ARG A 50 3.757 -11.299 3.113 1.00 0.00 C ATOM 797 CD ARG A 50 3.053 -10.609 1.955 1.00 0.00 C ATOM 798 NE ARG A 50 2.045 -11.464 1.331 1.00 0.00 N ATOM 799 CZ ARG A 50 1.951 -11.661 0.015 1.00 0.00 C ATOM 800 NH1 ARG A 50 2.846 -11.130 -0.812 1.00 0.00 N ATOM 801 NH2 ARG A 50 0.966 -12.408 -0.469 1.00 0.00 N ATOM 0 H ARG A 50 1.941 -9.804 4.808 1.00 0.00 H new ATOM 0 HA ARG A 50 4.642 -8.906 5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.354 -9.869 3.155 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.322 -10.947 4.536 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.328 -12.147 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.012 -11.698 3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.580 -9.695 2.313 1.00 0.00 H new ATOM 0 HD3 ARG A 50 3.790 -10.315 1.208 1.00 0.00 H new ATOM 0 HE ARG A 50 1.375 -11.937 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.612 -10.567 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.767 -11.285 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.286 -12.828 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.889 -12.562 -1.474 1.00 0.00 H new ATOM 815 N SER A 51 4.604 -7.366 3.343 1.00 0.00 N ATOM 816 CA SER A 51 4.390 -6.194 2.501 1.00 0.00 C ATOM 817 C SER A 51 4.894 -6.436 1.073 1.00 0.00 C ATOM 818 O SER A 51 5.739 -7.303 0.841 1.00 0.00 O ATOM 819 CB SER A 51 5.102 -4.984 3.110 1.00 0.00 C ATOM 820 OG SER A 51 4.612 -4.695 4.409 1.00 0.00 O ATOM 0 H SER A 51 5.585 -7.571 3.533 1.00 0.00 H new ATOM 0 HA SER A 51 3.319 -6.000 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.174 -5.177 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.963 -4.116 2.466 1.00 0.00 H new ATOM 0 HG SER A 51 4.392 -3.742 4.471 1.00 0.00 H new ATOM 826 N ILE A 52 4.354 -5.678 0.121 1.00 0.00 N ATOM 827 CA ILE A 52 4.778 -5.752 -1.278 1.00 0.00 C ATOM 828 C ILE A 52 5.227 -4.367 -1.753 1.00 0.00 C ATOM 829 O ILE A 52 4.627 -3.360 -1.378 1.00 0.00 O ATOM 830 CB ILE A 52 3.639 -6.265 -2.194 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.085 -7.593 -1.664 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.136 -6.433 -3.623 1.00 0.00 C ATOM 833 CD1 ILE A 52 1.920 -8.135 -2.464 1.00 0.00 C ATOM 0 H ILE A 52 3.614 -4.998 0.295 1.00 0.00 H new ATOM 0 HA ILE A 52 5.606 -6.458 -1.339 1.00 0.00 H new ATOM 0 HB ILE A 52 2.837 -5.527 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.885 -8.333 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.770 -7.457 -0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.322 -6.794 -4.251 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.488 -5.473 -4.001 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.955 -7.152 -3.641 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.585 -9.076 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.102 -7.415 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.234 -8.305 -3.494 1.00 0.00 H new ATOM 845 N CYS A 53 6.252 -4.316 -2.600 1.00 0.00 N ATOM 846 CA CYS A 53 6.876 -3.045 -2.958 1.00 0.00 C ATOM 847 C CYS A 53 6.428 -2.546 -4.326 1.00 0.00 C ATOM 848 O CYS A 53 6.614 -3.216 -5.347 1.00 0.00 O ATOM 849 CB CYS A 53 8.396 -3.187 -2.950 1.00 0.00 C ATOM 850 SG CYS A 53 9.073 -3.810 -1.382 1.00 0.00 S ATOM 0 H CYS A 53 6.666 -5.133 -3.048 1.00 0.00 H new ATOM 0 HA CYS A 53 6.561 -2.314 -2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.692 -3.860 -3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.842 -2.216 -3.166 1.00 0.00 H new ATOM 855 N ILE A 54 5.860 -1.350 -4.333 1.00 0.00 N ATOM 856 CA ILE A 54 5.392 -0.705 -5.549 1.00 0.00 C ATOM 857 C ILE A 54 5.912 0.736 -5.608 1.00 0.00 C ATOM 858 O ILE A 54 6.030 1.394 -4.580 1.00 0.00 O ATOM 859 CB ILE A 54 3.841 -0.729 -5.607 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.343 -2.104 -6.065 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.302 0.368 -6.506 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.834 -2.207 -6.165 1.00 0.00 C ATOM 0 H ILE A 54 5.710 -0.796 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 54 5.775 -1.250 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 54 3.465 -0.542 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.778 -2.332 -7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.704 -2.861 -5.369 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.213 0.322 -6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.618 1.339 -6.125 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.687 0.232 -7.517 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.559 -3.209 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.390 -2.012 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.466 -1.475 -6.884 1.00 0.00 H new ATOM 874 N HIS A 55 6.261 1.217 -6.798 1.00 0.00 N ATOM 875 CA HIS A 55 6.707 2.602 -6.929 1.00 0.00 C ATOM 876 C HIS A 55 5.492 3.512 -7.110 1.00 0.00 C ATOM 877 O HIS A 55 4.516 3.113 -7.740 1.00 0.00 O ATOM 878 CB HIS A 55 7.723 2.770 -8.077 1.00 0.00 C ATOM 879 CG HIS A 55 7.139 2.873 -9.459 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.021 4.070 -10.128 1.00 0.00 N ATOM 881 CD2 HIS A 55 6.697 1.922 -10.316 1.00 0.00 C ATOM 882 CE1 HIS A 55 6.531 3.853 -11.331 1.00 0.00 C ATOM 883 NE2 HIS A 55 6.327 2.557 -11.478 1.00 0.00 N ATOM 0 H HIS A 55 6.245 0.684 -7.667 1.00 0.00 H new ATOM 0 HA HIS A 55 7.228 2.890 -6.016 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.314 3.665 -7.885 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.410 1.924 -8.056 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.645 0.861 -10.122 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.329 4.610 -12.074 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.957 2.103 -12.313 1.00 0.00 H new ATOM 892 N PRO A 56 5.556 4.743 -6.565 1.00 0.00 N ATOM 893 CA PRO A 56 4.404 5.659 -6.456 1.00 0.00 C ATOM 894 C PRO A 56 3.519 5.730 -7.701 1.00 0.00 C ATOM 895 O PRO A 56 2.305 5.548 -7.613 1.00 0.00 O ATOM 896 CB PRO A 56 5.068 7.008 -6.196 1.00 0.00 C ATOM 897 CG PRO A 56 6.301 6.666 -5.441 1.00 0.00 C ATOM 898 CD PRO A 56 6.778 5.353 -6.002 1.00 0.00 C ATOM 0 HA PRO A 56 3.715 5.324 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.301 7.524 -7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.418 7.668 -5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.059 7.440 -5.560 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.095 6.583 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.541 5.499 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.219 4.724 -5.228 1.00 0.00 H new ATOM 906 N GLN A 57 4.119 6.002 -8.854 1.00 0.00 N ATOM 907 CA GLN A 57 3.351 6.144 -10.087 1.00 0.00 C ATOM 908 C GLN A 57 3.019 4.776 -10.684 1.00 0.00 C ATOM 909 O GLN A 57 3.586 4.370 -11.698 1.00 0.00 O ATOM 910 CB GLN A 57 4.114 7.001 -11.099 1.00 0.00 C ATOM 911 CG GLN A 57 4.449 8.398 -10.594 1.00 0.00 C ATOM 912 CD GLN A 57 3.212 9.217 -10.272 1.00 0.00 C ATOM 913 OE1 GLN A 57 2.677 9.917 -11.131 1.00 0.00 O ATOM 914 NE2 GLN A 57 2.756 9.148 -9.029 1.00 0.00 N ATOM 0 H GLN A 57 5.125 6.128 -8.962 1.00 0.00 H new ATOM 0 HA GLN A 57 2.413 6.645 -9.847 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.039 6.491 -11.369 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.520 7.087 -12.009 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.069 8.318 -9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.040 8.920 -11.347 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.227 8.556 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.934 9.687 -8.757 1.00 0.00 H new ATOM 923 N ASN A 58 2.113 4.066 -10.031 1.00 0.00 N ATOM 924 CA ASN A 58 1.723 2.734 -10.459 1.00 0.00 C ATOM 925 C ASN A 58 0.207 2.598 -10.455 1.00 0.00 C ATOM 926 O ASN A 58 -0.448 2.945 -9.472 1.00 0.00 O ATOM 927 CB ASN A 58 2.337 1.689 -9.530 1.00 0.00 C ATOM 928 CG ASN A 58 2.093 0.270 -10.002 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.077 -0.338 -9.678 1.00 0.00 O ATOM 930 ND2 ASN A 58 3.023 -0.267 -10.774 1.00 0.00 N ATOM 0 H ASN A 58 1.630 4.395 -9.195 1.00 0.00 H new ATOM 0 HA ASN A 58 2.088 2.573 -11.474 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.410 1.863 -9.454 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.923 1.811 -8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.910 -1.219 -11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.854 0.271 -11.021 1.00 0.00 H new ATOM 937 N PRO A 59 -0.369 2.082 -11.551 1.00 0.00 N ATOM 938 CA PRO A 59 -1.821 1.926 -11.698 1.00 0.00 C ATOM 939 C PRO A 59 -2.454 1.110 -10.572 1.00 0.00 C ATOM 940 O PRO A 59 -3.572 1.401 -10.146 1.00 0.00 O ATOM 941 CB PRO A 59 -1.974 1.186 -13.030 1.00 0.00 C ATOM 942 CG PRO A 59 -0.726 1.484 -13.779 1.00 0.00 C ATOM 943 CD PRO A 59 0.354 1.616 -12.748 1.00 0.00 C ATOM 0 HA PRO A 59 -2.325 2.892 -11.663 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.095 0.114 -12.875 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.853 1.530 -13.574 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.495 0.687 -14.486 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.828 2.403 -14.357 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.856 0.665 -12.569 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.119 2.328 -13.057 1.00 0.00 H new ATOM 951 N SER A 60 -1.729 0.108 -10.077 1.00 0.00 N ATOM 952 CA SER A 60 -2.264 -0.800 -9.070 1.00 0.00 C ATOM 953 C SER A 60 -2.358 -0.116 -7.710 1.00 0.00 C ATOM 954 O SER A 60 -3.170 -0.505 -6.875 1.00 0.00 O ATOM 955 CB SER A 60 -1.392 -2.060 -8.957 1.00 0.00 C ATOM 956 OG SER A 60 -2.032 -3.066 -8.189 1.00 0.00 O ATOM 0 H SER A 60 -0.770 -0.094 -10.359 1.00 0.00 H new ATOM 0 HA SER A 60 -3.267 -1.089 -9.385 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.175 -2.444 -9.954 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.437 -1.803 -8.499 1.00 0.00 H new ATOM 0 HG SER A 60 -1.479 -3.285 -7.410 1.00 0.00 H new ATOM 962 N LEU A 61 -1.536 0.902 -7.497 1.00 0.00 N ATOM 963 CA LEU A 61 -1.494 1.595 -6.218 1.00 0.00 C ATOM 964 C LEU A 61 -2.658 2.590 -6.125 1.00 0.00 C ATOM 965 O LEU A 61 -3.364 2.637 -5.116 1.00 0.00 O ATOM 966 CB LEU A 61 -0.135 2.299 -6.056 1.00 0.00 C ATOM 967 CG LEU A 61 0.345 2.546 -4.614 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.527 3.568 -3.912 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.378 1.247 -3.819 1.00 0.00 C ATOM 0 H LEU A 61 -0.888 1.267 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.603 0.877 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.620 1.704 -6.569 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.186 3.260 -6.568 1.00 0.00 H new ATOM 0 HG LEU A 61 1.359 2.943 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.163 3.721 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.491 4.512 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.555 3.207 -3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.721 1.450 -2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.623 0.816 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.060 0.544 -4.298 1.00 0.00 H new ATOM 981 N SER A 62 -2.872 3.357 -7.192 1.00 0.00 N ATOM 982 CA SER A 62 -3.937 4.363 -7.221 1.00 0.00 C ATOM 983 C SER A 62 -5.320 3.710 -7.094 1.00 0.00 C ATOM 984 O SER A 62 -6.143 4.085 -6.235 1.00 0.00 O ATOM 985 CB SER A 62 -3.857 5.136 -8.536 1.00 0.00 C ATOM 986 OG SER A 62 -2.512 5.247 -8.971 1.00 0.00 O ATOM 0 H SER A 62 -2.323 3.303 -8.050 1.00 0.00 H new ATOM 0 HA SER A 62 -3.801 5.038 -6.376 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.450 4.630 -9.298 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.286 6.130 -8.406 1.00 0.00 H new ATOM 0 HG SER A 62 -2.481 5.744 -9.815 1.00 0.00 H new ATOM 992 N GLN A 63 -5.558 2.704 -7.935 1.00 0.00 N ATOM 993 CA GLN A 63 -6.824 1.979 -7.932 1.00 0.00 C ATOM 994 C GLN A 63 -7.046 1.330 -6.576 1.00 0.00 C ATOM 995 O GLN A 63 -8.181 1.133 -6.139 1.00 0.00 O ATOM 996 CB GLN A 63 -6.845 0.920 -9.046 1.00 0.00 C ATOM 997 CG GLN A 63 -5.795 -0.169 -8.886 1.00 0.00 C ATOM 998 CD GLN A 63 -6.348 -1.447 -8.293 1.00 0.00 C ATOM 999 OE1 GLN A 63 -7.501 -1.802 -8.523 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -5.538 -2.137 -7.511 1.00 0.00 N ATOM 0 H GLN A 63 -4.887 2.373 -8.628 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.632 2.686 -8.121 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.832 0.457 -9.075 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.697 1.415 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.356 -0.388 -9.860 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.991 0.201 -8.250 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.587 -1.808 -7.345 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.864 -2.999 -7.073 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.944 1.014 -5.907 1.00 0.00 N ATOM 1010 CA TRP A 64 -6.008 0.379 -4.613 1.00 0.00 C ATOM 1011 C TRP A 64 -6.455 1.361 -3.545 1.00 0.00 C ATOM 1012 O TRP A 64 -7.109 0.966 -2.597 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.668 -0.251 -4.230 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.746 -1.017 -2.950 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.921 -0.903 -1.870 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.730 -1.995 -2.603 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.327 -1.758 -0.878 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.436 -2.436 -1.304 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.832 -2.544 -3.268 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.204 -3.391 -0.658 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.593 -3.491 -2.621 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.276 -3.905 -1.328 1.00 0.00 C ATOM 0 H TRP A 64 -4.998 1.191 -6.246 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.748 -0.419 -4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.340 -0.916 -5.029 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.915 0.531 -4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -3.073 -0.237 -1.806 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.876 -1.870 0.030 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.081 -2.230 -4.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.962 -3.718 0.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.448 -3.920 -3.122 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.893 -4.649 -0.846 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.126 2.637 -3.699 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.593 3.645 -2.750 1.00 0.00 C ATOM 1035 C PHE A 65 -8.110 3.623 -2.654 1.00 0.00 C ATOM 1036 O PHE A 65 -8.670 3.632 -1.558 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.110 5.044 -3.130 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.742 5.358 -2.606 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.494 5.334 -1.242 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -3.712 5.687 -3.464 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.241 5.633 -0.747 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.456 5.986 -2.973 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.219 5.958 -1.613 1.00 0.00 C ATOM 0 H PHE A 65 -5.547 2.997 -4.458 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.171 3.399 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.107 5.138 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.816 5.781 -2.749 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.291 5.078 -0.559 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.890 5.711 -4.529 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.061 5.612 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.658 6.242 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.236 6.190 -1.229 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.774 3.551 -3.800 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.236 3.483 -3.805 1.00 0.00 C ATOM 1055 C GLU A 66 -10.723 2.128 -3.286 1.00 0.00 C ATOM 1056 O GLU A 66 -11.695 2.040 -2.524 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.792 3.712 -5.209 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.412 5.049 -5.820 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.168 5.324 -7.101 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -11.129 4.472 -8.015 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.830 6.379 -7.192 1.00 0.00 O ATOM 0 H GLU A 66 -8.338 3.538 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.598 4.271 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.439 2.914 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.879 3.637 -5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.613 5.845 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.341 5.064 -6.021 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.031 1.071 -3.683 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.477 -0.282 -3.382 1.00 0.00 C ATOM 1070 C HIS A 67 -10.189 -0.667 -1.936 1.00 0.00 C ATOM 1071 O HIS A 67 -10.975 -1.376 -1.322 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.847 -1.286 -4.346 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.345 -1.155 -5.753 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.808 -1.853 -6.805 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -11.343 -0.401 -6.277 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.448 -1.536 -7.914 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -11.386 -0.659 -7.621 1.00 0.00 N ATOM 0 H HIS A 67 -9.161 1.123 -4.213 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.559 -0.305 -3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.765 -1.156 -4.338 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -10.049 -2.296 -3.990 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.985 0.277 -5.735 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.238 -1.930 -8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -12.037 -0.241 -8.286 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.079 -0.194 -1.385 1.00 0.00 N ATOM 1087 CA GLN A 68 -8.756 -0.467 0.011 1.00 0.00 C ATOM 1088 C GLN A 68 -9.731 0.275 0.910 1.00 0.00 C ATOM 1089 O GLN A 68 -10.028 -0.162 2.016 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.320 -0.054 0.350 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.094 1.450 0.391 1.00 0.00 C ATOM 1092 CD GLN A 68 -5.664 1.815 0.726 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.306 1.971 1.888 1.00 0.00 O ATOM 1094 NE2 GLN A 68 -4.835 1.950 -0.295 1.00 0.00 N ATOM 0 H GLN A 68 -8.391 0.376 -1.878 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.840 -1.541 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.052 -0.476 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.645 -0.491 -0.386 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.358 1.880 -0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.761 1.894 1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -5.172 1.812 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.858 2.192 -0.130 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.236 1.392 0.401 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.230 2.183 1.106 1.00 0.00 C ATOM 1105 C GLU A 69 -12.492 1.357 1.337 1.00 0.00 C ATOM 1106 O GLU A 69 -13.133 1.461 2.383 1.00 0.00 O ATOM 1107 CB GLU A 69 -11.558 3.440 0.301 1.00 0.00 C ATOM 1108 CG GLU A 69 -12.594 4.340 0.946 1.00 0.00 C ATOM 1109 CD GLU A 69 -12.946 5.517 0.069 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -12.164 6.487 0.022 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -14.002 5.466 -0.595 1.00 0.00 O ATOM 0 H GLU A 69 -9.968 1.771 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.828 2.479 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.641 4.010 0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.915 3.143 -0.685 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -13.494 3.763 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.216 4.701 1.902 1.00 0.00 H new ATOM 1118 N ARG A 70 -12.832 0.518 0.363 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.013 -0.335 0.478 1.00 0.00 C ATOM 1120 C ARG A 70 -13.643 -1.744 0.956 1.00 0.00 C ATOM 1121 O ARG A 70 -14.508 -2.613 1.087 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.772 -0.391 -0.853 1.00 0.00 C ATOM 1123 CG ARG A 70 -13.933 -0.869 -2.029 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.719 -0.856 -3.331 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.760 -1.886 -3.362 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.911 -1.760 -4.027 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -17.196 -0.632 -4.669 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.780 -2.762 -4.051 1.00 0.00 N ATOM 0 H ARG A 70 -12.312 0.410 -0.508 1.00 0.00 H new ATOM 0 HA ARG A 70 -14.669 0.105 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.631 -1.053 -0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.161 0.602 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.054 -0.233 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.574 -1.879 -1.832 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.176 0.124 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.036 -1.008 -4.167 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.596 -2.750 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.534 0.144 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -18.077 -0.542 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.570 -3.631 -3.561 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.659 -2.663 -4.560 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.356 -1.963 1.213 1.00 0.00 N ATOM 1143 CA LYS A 71 -11.874 -3.221 1.791 1.00 0.00 C ATOM 1144 C LYS A 71 -11.132 -2.925 3.096 1.00 0.00 C ATOM 1145 O LYS A 71 -11.473 -1.966 3.787 1.00 0.00 O ATOM 1146 CB LYS A 71 -10.940 -3.953 0.816 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.566 -4.281 -0.530 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.584 -5.032 -1.413 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.023 -5.045 -2.867 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.250 -5.860 -3.091 1.00 0.00 N ATOM 0 H LYS A 71 -11.620 -1.281 1.029 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.731 -3.865 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.055 -3.339 0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.603 -4.879 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.463 -4.883 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.877 -3.361 -1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.600 -4.570 -1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.484 -6.057 -1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.206 -4.022 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.214 -5.438 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.009 -6.703 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.644 -6.153 -2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.954 -5.293 -3.605 1.00 0.00 H new ATOM 1164 N LEU A 72 -10.136 -3.758 3.433 1.00 0.00 N ATOM 1165 CA LEU A 72 -9.284 -3.539 4.614 1.00 0.00 C ATOM 1166 C LEU A 72 -10.079 -3.306 5.894 1.00 0.00 C ATOM 1167 O LEU A 72 -9.616 -2.601 6.793 1.00 0.00 O ATOM 1168 CB LEU A 72 -8.340 -2.358 4.378 1.00 0.00 C ATOM 1169 CG LEU A 72 -7.042 -2.697 3.648 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -7.330 -3.318 2.294 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -6.189 -1.454 3.492 1.00 0.00 C ATOM 0 H LEU A 72 -9.899 -4.595 2.901 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.713 -4.457 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.872 -1.598 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.090 -1.915 5.342 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.493 -3.426 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.390 -3.551 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.906 -4.234 2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.901 -2.616 1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.267 -1.709 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.736 -0.707 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.950 -1.051 4.476 1.00 0.00 H new