USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=18 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 58 ASN :FLIP amide:sc= -3.68! C(o=-5.1!,f=-4.3!) USER MOD Set 1.2: A 60 SER OG : rot 110:sc= -0.623 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.37 F(o=-1.2,f=-0.37) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0504) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= -1.45 (180deg=-3.55!) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= -2.03! (180deg=-2.1!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 32 GLN : amide:sc= -7.88! C(o=-7.9!,f=-10!) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.156 F(o=-0.85,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= 0.0465 K(o=0.046,f=-0.5) USER MOD Single : A 46 HIS : no HE2:sc= 0.0901 K(o=0.09,f=-5.7!) USER MOD Single : A 49 GLN :FLIP amide:sc= -3! C(o=-4.8!,f=-3!) USER MOD Single : A 51 SER OG : rot 0:sc= 0.571 USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.728 F(o=-2.3,f=-0.73) USER MOD Single : A 57 GLN : amide:sc= -0.781 X(o=-0.78,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.466 X(o=-0.47,f=0) USER MOD Single : A 67 HIS : no HE2:sc= -0.116 K(o=-0.12,f=-3.3!) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.57 F(o=-4.5!,f=-0.57) USER MOD Single : A 71 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.495) USER MOD ----------------------------------------------------------------- ATOM 124 N CYS A 9 11.601 0.367 4.125 1.00 0.00 N ATOM 125 CA CYS A 9 12.846 0.594 3.417 1.00 0.00 C ATOM 126 C CYS A 9 12.976 -0.427 2.302 1.00 0.00 C ATOM 127 O CYS A 9 13.509 -1.520 2.494 1.00 0.00 O ATOM 128 CB CYS A 9 14.061 0.527 4.342 1.00 0.00 C ATOM 129 SG CYS A 9 15.633 0.956 3.516 1.00 0.00 S ATOM 0 HA CYS A 9 12.821 1.602 3.003 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.905 1.204 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.139 -0.479 4.753 1.00 0.00 H new ATOM 134 N CYS A 10 12.445 -0.074 1.147 1.00 0.00 N ATOM 135 CA CYS A 10 12.446 -0.966 0.007 1.00 0.00 C ATOM 136 C CYS A 10 13.329 -0.415 -1.091 1.00 0.00 C ATOM 137 O CYS A 10 13.071 0.666 -1.613 1.00 0.00 O ATOM 138 CB CYS A 10 11.027 -1.143 -0.526 1.00 0.00 C ATOM 139 SG CYS A 10 9.847 -1.803 0.690 1.00 0.00 S ATOM 0 H CYS A 10 12.005 0.830 0.975 1.00 0.00 H new ATOM 0 HA CYS A 10 12.834 -1.933 0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.663 -0.180 -0.882 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.056 -1.811 -1.387 1.00 0.00 H new ATOM 144 N THR A 11 14.371 -1.152 -1.429 1.00 0.00 N ATOM 145 CA THR A 11 15.230 -0.785 -2.534 1.00 0.00 C ATOM 146 C THR A 11 14.786 -1.507 -3.799 1.00 0.00 C ATOM 147 O THR A 11 15.022 -1.045 -4.919 1.00 0.00 O ATOM 148 CB THR A 11 16.704 -1.103 -2.217 1.00 0.00 C ATOM 149 OG1 THR A 11 16.828 -2.441 -1.715 1.00 0.00 O ATOM 150 CG2 THR A 11 17.250 -0.124 -1.190 1.00 0.00 C ATOM 0 H THR A 11 14.642 -2.011 -0.951 1.00 0.00 H new ATOM 0 HA THR A 11 15.148 0.290 -2.694 1.00 0.00 H new ATOM 0 HB THR A 11 17.279 -1.010 -3.139 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.769 -2.631 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.292 -0.363 -0.978 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.183 0.891 -1.583 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.667 -0.197 -0.272 1.00 0.00 H new ATOM 158 N GLN A 12 14.131 -2.641 -3.608 1.00 0.00 N ATOM 159 CA GLN A 12 13.514 -3.360 -4.707 1.00 0.00 C ATOM 160 C GLN A 12 12.007 -3.120 -4.711 1.00 0.00 C ATOM 161 O GLN A 12 11.435 -2.719 -3.698 1.00 0.00 O ATOM 162 CB GLN A 12 13.846 -4.862 -4.655 1.00 0.00 C ATOM 163 CG GLN A 12 13.843 -5.501 -3.263 1.00 0.00 C ATOM 164 CD GLN A 12 12.503 -5.417 -2.552 1.00 0.00 C ATOM 165 OE1 GLN A 12 12.370 -4.467 -1.637 1.00 0.00 O flip ATOM 166 NE2 GLN A 12 11.620 -6.243 -2.779 1.00 0.00 N flip ATOM 0 H GLN A 12 14.014 -3.084 -2.697 1.00 0.00 H new ATOM 0 HA GLN A 12 13.925 -2.977 -5.641 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.129 -5.395 -5.279 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.829 -5.012 -5.100 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.130 -6.548 -3.354 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.601 -5.015 -2.649 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.762 -6.958 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 12 10.746 -6.212 -2.254 1.00 0.00 H new ATOM 175 N LEU A 13 11.374 -3.337 -5.854 1.00 0.00 N ATOM 176 CA LEU A 13 9.944 -3.092 -5.988 1.00 0.00 C ATOM 177 C LEU A 13 9.262 -4.259 -6.695 1.00 0.00 C ATOM 178 O LEU A 13 9.888 -4.966 -7.483 1.00 0.00 O ATOM 179 CB LEU A 13 9.701 -1.795 -6.772 1.00 0.00 C ATOM 180 CG LEU A 13 10.249 -0.522 -6.122 1.00 0.00 C ATOM 181 CD1 LEU A 13 10.111 0.661 -7.067 1.00 0.00 C ATOM 182 CD2 LEU A 13 9.529 -0.242 -4.812 1.00 0.00 C ATOM 0 H LEU A 13 11.826 -3.682 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 13 9.518 -2.992 -4.989 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.148 -1.899 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.628 -1.675 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 13 11.308 -0.672 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 13 10.506 1.557 -6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.669 0.463 -7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.059 0.812 -7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.931 0.666 -4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.464 -0.112 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.676 -1.079 -4.130 1.00 0.00 H new ATOM 194 N TYR A 14 7.983 -4.460 -6.400 1.00 0.00 N ATOM 195 CA TYR A 14 7.194 -5.490 -7.065 1.00 0.00 C ATOM 196 C TYR A 14 6.964 -5.090 -8.518 1.00 0.00 C ATOM 197 O TYR A 14 7.003 -5.929 -9.417 1.00 0.00 O ATOM 198 CB TYR A 14 5.857 -5.679 -6.343 1.00 0.00 C ATOM 199 CG TYR A 14 5.130 -6.962 -6.690 1.00 0.00 C ATOM 200 CD1 TYR A 14 4.328 -7.054 -7.822 1.00 0.00 C ATOM 201 CD2 TYR A 14 5.236 -8.082 -5.874 1.00 0.00 C ATOM 202 CE1 TYR A 14 3.656 -8.221 -8.130 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.565 -9.253 -6.174 1.00 0.00 C ATOM 204 CZ TYR A 14 3.777 -9.316 -7.302 1.00 0.00 C ATOM 205 OH TYR A 14 3.105 -10.480 -7.602 1.00 0.00 O ATOM 0 H TYR A 14 7.469 -3.922 -5.703 1.00 0.00 H new ATOM 0 HA TYR A 14 7.734 -6.436 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.033 -5.656 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.209 -4.834 -6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.229 -6.198 -8.472 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.854 -8.037 -4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.039 -8.275 -9.015 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.658 -10.113 -5.528 1.00 0.00 H new ATOM 0 HH TYR A 14 3.299 -11.155 -6.918 1.00 0.00 H new ATOM 215 N ARG A 15 6.715 -3.789 -8.717 1.00 0.00 N ATOM 216 CA ARG A 15 6.607 -3.173 -10.049 1.00 0.00 C ATOM 217 C ARG A 15 5.306 -3.542 -10.766 1.00 0.00 C ATOM 218 O ARG A 15 4.655 -2.683 -11.358 1.00 0.00 O ATOM 219 CB ARG A 15 7.815 -3.536 -10.920 1.00 0.00 C ATOM 220 CG ARG A 15 9.144 -3.135 -10.305 1.00 0.00 C ATOM 221 CD ARG A 15 10.312 -3.523 -11.192 1.00 0.00 C ATOM 222 NE ARG A 15 11.594 -3.189 -10.576 1.00 0.00 N ATOM 223 CZ ARG A 15 12.530 -2.449 -11.165 1.00 0.00 C ATOM 224 NH1 ARG A 15 12.337 -1.981 -12.390 1.00 0.00 N ATOM 225 NH2 ARG A 15 13.663 -2.183 -10.528 1.00 0.00 N ATOM 0 H ARG A 15 6.581 -3.127 -7.952 1.00 0.00 H new ATOM 0 HA ARG A 15 6.593 -2.095 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.815 -4.611 -11.098 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.712 -3.052 -11.891 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.157 -2.058 -10.136 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.253 -3.611 -9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.274 -4.593 -11.396 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.225 -3.013 -12.151 1.00 0.00 H new ATOM 0 HE ARG A 15 11.783 -3.544 -9.639 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.469 -2.188 -12.884 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.057 -1.414 -12.839 1.00 0.00 H new ATOM 0 HH21 ARG A 15 13.816 -2.546 -9.587 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.381 -1.616 -10.979 1.00 0.00 H new ATOM 239 N LYS A 16 4.932 -4.809 -10.712 1.00 0.00 N ATOM 240 CA LYS A 16 3.743 -5.292 -11.400 1.00 0.00 C ATOM 241 C LYS A 16 2.492 -5.102 -10.539 1.00 0.00 C ATOM 242 O LYS A 16 2.587 -4.931 -9.323 1.00 0.00 O ATOM 243 CB LYS A 16 3.925 -6.767 -11.777 1.00 0.00 C ATOM 244 CG LYS A 16 5.061 -6.999 -12.760 1.00 0.00 C ATOM 245 CD LYS A 16 4.826 -6.254 -14.065 1.00 0.00 C ATOM 246 CE LYS A 16 6.016 -6.370 -15.008 1.00 0.00 C ATOM 247 NZ LYS A 16 6.291 -7.778 -15.399 1.00 0.00 N ATOM 0 H LYS A 16 5.438 -5.528 -10.195 1.00 0.00 H new ATOM 0 HA LYS A 16 3.607 -4.708 -12.310 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.112 -7.346 -10.873 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.997 -7.142 -12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.001 -6.671 -12.316 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.158 -8.066 -12.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.936 -6.650 -14.554 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.632 -5.203 -13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.827 -5.777 -15.903 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.900 -5.949 -14.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.042 -7.798 -16.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.597 -8.317 -14.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.427 -8.205 -15.789 1.00 0.00 H new ATOM 261 N PRO A 17 1.305 -5.097 -11.171 1.00 0.00 N ATOM 262 CA PRO A 17 0.024 -4.936 -10.469 1.00 0.00 C ATOM 263 C PRO A 17 -0.290 -6.090 -9.516 1.00 0.00 C ATOM 264 O PRO A 17 0.105 -7.237 -9.746 1.00 0.00 O ATOM 265 CB PRO A 17 -1.012 -4.895 -11.603 1.00 0.00 C ATOM 266 CG PRO A 17 -0.231 -4.595 -12.836 1.00 0.00 C ATOM 267 CD PRO A 17 1.112 -5.225 -12.625 1.00 0.00 C ATOM 0 HA PRO A 17 0.032 -4.046 -9.839 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.537 -5.846 -11.691 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.767 -4.130 -11.419 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.721 -5.004 -13.720 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.140 -3.520 -12.990 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.125 -6.267 -12.945 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.893 -4.710 -13.184 1.00 0.00 H new ATOM 275 N LEU A 18 -1.013 -5.774 -8.448 1.00 0.00 N ATOM 276 CA LEU A 18 -1.436 -6.776 -7.481 1.00 0.00 C ATOM 277 C LEU A 18 -2.893 -7.161 -7.733 1.00 0.00 C ATOM 278 O LEU A 18 -3.664 -6.378 -8.293 1.00 0.00 O ATOM 279 CB LEU A 18 -1.267 -6.251 -6.046 1.00 0.00 C ATOM 280 CG LEU A 18 0.176 -5.943 -5.622 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.227 -5.474 -4.172 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.058 -7.164 -5.812 1.00 0.00 C ATOM 0 H LEU A 18 -1.319 -4.826 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.808 -7.659 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.861 -5.344 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.681 -6.987 -5.357 1.00 0.00 H new ATOM 0 HG LEU A 18 0.551 -5.139 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.259 -5.262 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.372 -4.570 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.170 -6.254 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.077 -6.928 -5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.678 -7.985 -5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.053 -7.457 -6.862 1.00 0.00 H new ATOM 294 N SER A 19 -3.264 -8.370 -7.332 1.00 0.00 N ATOM 295 CA SER A 19 -4.619 -8.865 -7.535 1.00 0.00 C ATOM 296 C SER A 19 -5.502 -8.565 -6.324 1.00 0.00 C ATOM 297 O SER A 19 -5.022 -8.547 -5.189 1.00 0.00 O ATOM 298 CB SER A 19 -4.586 -10.370 -7.796 1.00 0.00 C ATOM 299 OG SER A 19 -3.700 -10.685 -8.859 1.00 0.00 O ATOM 0 H SER A 19 -2.642 -9.028 -6.862 1.00 0.00 H new ATOM 0 HA SER A 19 -5.044 -8.355 -8.399 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.274 -10.892 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.589 -10.722 -8.038 1.00 0.00 H new ATOM 0 HG SER A 19 -3.696 -11.654 -9.005 1.00 0.00 H new ATOM 305 N ASP A 20 -6.794 -8.342 -6.574 1.00 0.00 N ATOM 306 CA ASP A 20 -7.757 -8.047 -5.507 1.00 0.00 C ATOM 307 C ASP A 20 -7.769 -9.133 -4.437 1.00 0.00 C ATOM 308 O ASP A 20 -8.043 -8.864 -3.267 1.00 0.00 O ATOM 309 CB ASP A 20 -9.172 -7.894 -6.068 1.00 0.00 C ATOM 310 CG ASP A 20 -9.452 -6.512 -6.618 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.577 -5.566 -5.812 1.00 0.00 O ATOM 312 OD2 ASP A 20 -9.582 -6.372 -7.854 1.00 0.00 O ATOM 0 H ASP A 20 -7.200 -8.360 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.438 -7.108 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.324 -8.629 -6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.893 -8.118 -5.282 1.00 0.00 H new ATOM 317 N LYS A 21 -7.473 -10.358 -4.851 1.00 0.00 N ATOM 318 CA LYS A 21 -7.461 -11.498 -3.945 1.00 0.00 C ATOM 319 C LYS A 21 -6.432 -11.306 -2.835 1.00 0.00 C ATOM 320 O LYS A 21 -6.716 -11.552 -1.668 1.00 0.00 O ATOM 321 CB LYS A 21 -7.177 -12.784 -4.722 1.00 0.00 C ATOM 322 CG LYS A 21 -8.196 -13.061 -5.819 1.00 0.00 C ATOM 323 CD LYS A 21 -7.852 -14.304 -6.632 1.00 0.00 C ATOM 324 CE LYS A 21 -8.213 -15.596 -5.905 1.00 0.00 C ATOM 325 NZ LYS A 21 -7.364 -15.846 -4.708 1.00 0.00 N ATOM 0 H LYS A 21 -7.236 -10.588 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.444 -11.576 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.184 -12.720 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.163 -13.624 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.182 -13.184 -5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.253 -12.199 -6.484 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.379 -14.268 -7.585 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.785 -14.303 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.259 -15.555 -5.600 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.115 -16.434 -6.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.200 -16.868 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.452 -15.358 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.846 -15.487 -3.859 1.00 0.00 H new ATOM 339 N LEU A 22 -5.234 -10.873 -3.197 1.00 0.00 N ATOM 340 CA LEU A 22 -4.218 -10.587 -2.198 1.00 0.00 C ATOM 341 C LEU A 22 -4.533 -9.273 -1.485 1.00 0.00 C ATOM 342 O LEU A 22 -4.210 -9.102 -0.310 1.00 0.00 O ATOM 343 CB LEU A 22 -2.806 -10.581 -2.820 1.00 0.00 C ATOM 344 CG LEU A 22 -2.489 -9.469 -3.825 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.106 -8.177 -3.114 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.372 -9.910 -4.759 1.00 0.00 C ATOM 0 H LEU A 22 -4.945 -10.714 -4.162 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.230 -11.383 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.080 -10.521 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.651 -11.539 -3.316 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.387 -9.276 -4.412 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.887 -7.406 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.933 -7.850 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.224 -8.349 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.155 -9.112 -5.469 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.477 -10.131 -4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.682 -10.803 -5.301 1.00 0.00 H new ATOM 358 N LEU A 23 -5.191 -8.361 -2.203 1.00 0.00 N ATOM 359 CA LEU A 23 -5.489 -7.027 -1.684 1.00 0.00 C ATOM 360 C LEU A 23 -6.435 -7.073 -0.485 1.00 0.00 C ATOM 361 O LEU A 23 -6.391 -6.198 0.369 1.00 0.00 O ATOM 362 CB LEU A 23 -6.078 -6.137 -2.785 1.00 0.00 C ATOM 363 CG LEU A 23 -5.101 -5.732 -3.895 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.809 -4.921 -4.970 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.937 -4.935 -3.322 1.00 0.00 C ATOM 0 H LEU A 23 -5.529 -8.525 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.546 -6.600 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.921 -6.659 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.474 -5.232 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.712 -6.644 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.096 -4.645 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.609 -5.517 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.230 -4.018 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.255 -4.657 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.316 -4.034 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.406 -5.543 -2.589 1.00 0.00 H new ATOM 377 N ARG A 24 -7.267 -8.107 -0.398 1.00 0.00 N ATOM 378 CA ARG A 24 -8.222 -8.221 0.711 1.00 0.00 C ATOM 379 C ARG A 24 -7.499 -8.443 2.038 1.00 0.00 C ATOM 380 O ARG A 24 -8.113 -8.445 3.104 1.00 0.00 O ATOM 381 CB ARG A 24 -9.206 -9.365 0.469 1.00 0.00 C ATOM 382 CG ARG A 24 -8.564 -10.739 0.526 1.00 0.00 C ATOM 383 CD ARG A 24 -9.607 -11.839 0.464 1.00 0.00 C ATOM 384 NE ARG A 24 -10.528 -11.779 1.597 1.00 0.00 N ATOM 385 CZ ARG A 24 -11.831 -12.032 1.511 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.375 -12.338 0.336 1.00 0.00 N ATOM 387 NH2 ARG A 24 -12.591 -11.965 2.597 1.00 0.00 N ATOM 0 H ARG A 24 -7.303 -8.872 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.774 -7.282 0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.001 -9.313 1.213 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.673 -9.231 -0.507 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.865 -10.851 -0.303 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.986 -10.835 1.445 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.169 -11.755 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.111 -12.810 0.450 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.148 -11.528 2.510 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.793 -12.379 -0.500 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.374 -12.532 0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.176 -11.720 3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.590 -12.159 2.533 1.00 0.00 H new ATOM 401 N LYS A 25 -6.194 -8.633 1.953 1.00 0.00 N ATOM 402 CA LYS A 25 -5.367 -8.877 3.125 1.00 0.00 C ATOM 403 C LYS A 25 -4.487 -7.675 3.442 1.00 0.00 C ATOM 404 O LYS A 25 -3.775 -7.672 4.447 1.00 0.00 O ATOM 405 CB LYS A 25 -4.494 -10.102 2.913 1.00 0.00 C ATOM 406 CG LYS A 25 -5.286 -11.387 2.726 1.00 0.00 C ATOM 407 CD LYS A 25 -4.374 -12.600 2.741 1.00 0.00 C ATOM 408 CE LYS A 25 -3.346 -12.532 1.626 1.00 0.00 C ATOM 409 NZ LYS A 25 -3.947 -12.810 0.294 1.00 0.00 N ATOM 0 H LYS A 25 -5.678 -8.623 1.073 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.036 -9.049 3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.864 -9.942 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.828 -10.216 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.029 -11.478 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.829 -11.349 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.866 -12.664 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.970 -13.507 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.886 -11.544 1.617 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.551 -13.251 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.269 -12.557 -0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.180 -13.821 0.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.813 -12.246 0.180 1.00 0.00 H new ATOM 423 N VAL A 26 -4.524 -6.661 2.585 1.00 0.00 N ATOM 424 CA VAL A 26 -3.722 -5.466 2.797 1.00 0.00 C ATOM 425 C VAL A 26 -4.417 -4.563 3.803 1.00 0.00 C ATOM 426 O VAL A 26 -5.228 -3.717 3.441 1.00 0.00 O ATOM 427 CB VAL A 26 -3.466 -4.689 1.491 1.00 0.00 C ATOM 428 CG1 VAL A 26 -2.464 -3.572 1.725 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.975 -5.615 0.394 1.00 0.00 C ATOM 0 H VAL A 26 -5.098 -6.644 1.742 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.752 -5.785 3.179 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.411 -4.251 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.295 -3.034 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.854 -2.884 2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.523 -3.995 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.802 -5.041 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.044 -6.088 0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.725 -6.382 0.202 1.00 0.00 H new ATOM 439 N ILE A 27 -4.094 -4.776 5.066 1.00 0.00 N ATOM 440 CA ILE A 27 -4.784 -4.126 6.171 1.00 0.00 C ATOM 441 C ILE A 27 -4.502 -2.624 6.241 1.00 0.00 C ATOM 442 O ILE A 27 -5.354 -1.854 6.676 1.00 0.00 O ATOM 443 CB ILE A 27 -4.409 -4.786 7.516 1.00 0.00 C ATOM 444 CG1 ILE A 27 -2.898 -4.710 7.753 1.00 0.00 C ATOM 445 CG2 ILE A 27 -4.876 -6.234 7.531 1.00 0.00 C ATOM 446 CD1 ILE A 27 -2.440 -5.368 9.034 1.00 0.00 C ATOM 0 H ILE A 27 -3.345 -5.405 5.357 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.850 -4.254 5.984 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.907 -4.245 8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.385 -5.179 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.596 -3.663 7.767 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.608 -6.693 8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.958 -6.269 7.403 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.397 -6.779 6.718 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.358 -5.270 9.127 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.922 -4.885 9.884 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.709 -6.424 9.017 1.00 0.00 H new ATOM 458 N GLN A 28 -3.312 -2.209 5.815 1.00 0.00 N ATOM 459 CA GLN A 28 -2.926 -0.799 5.886 1.00 0.00 C ATOM 460 C GLN A 28 -1.958 -0.441 4.770 1.00 0.00 C ATOM 461 O GLN A 28 -1.327 -1.314 4.172 1.00 0.00 O ATOM 462 CB GLN A 28 -2.303 -0.455 7.245 1.00 0.00 C ATOM 463 CG GLN A 28 -3.300 -0.466 8.394 1.00 0.00 C ATOM 464 CD GLN A 28 -2.696 -0.046 9.717 1.00 0.00 C ATOM 465 OE1 GLN A 28 -1.509 -0.246 9.969 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.516 0.534 10.576 1.00 0.00 N ATOM 0 H GLN A 28 -2.601 -2.823 5.419 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.836 -0.211 5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.506 -1.167 7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -1.842 0.531 7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.128 0.200 8.153 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.716 -1.468 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.494 0.681 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.171 0.834 11.488 1.00 0.00 H new ATOM 475 N VAL A 29 -1.873 0.846 4.471 1.00 0.00 N ATOM 476 CA VAL A 29 -0.950 1.339 3.461 1.00 0.00 C ATOM 477 C VAL A 29 0.089 2.251 4.101 1.00 0.00 C ATOM 478 O VAL A 29 -0.256 3.206 4.796 1.00 0.00 O ATOM 479 CB VAL A 29 -1.688 2.109 2.344 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.719 2.558 1.257 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.801 1.258 1.754 1.00 0.00 C ATOM 0 H VAL A 29 -2.435 1.571 4.916 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.459 0.474 3.015 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.133 3.001 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.265 3.098 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.037 3.212 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.235 1.686 0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.309 1.817 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.378 0.346 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.515 1.000 2.536 1.00 0.00 H new ATOM 491 N GLU A 30 1.353 1.940 3.876 1.00 0.00 N ATOM 492 CA GLU A 30 2.452 2.731 4.405 1.00 0.00 C ATOM 493 C GLU A 30 3.397 3.109 3.271 1.00 0.00 C ATOM 494 O GLU A 30 3.263 2.598 2.161 1.00 0.00 O ATOM 495 CB GLU A 30 3.170 1.946 5.508 1.00 0.00 C ATOM 496 CG GLU A 30 3.407 0.483 5.162 1.00 0.00 C ATOM 497 CD GLU A 30 3.568 -0.390 6.398 1.00 0.00 C ATOM 498 OE1 GLU A 30 3.044 -0.017 7.472 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.201 -1.464 6.302 1.00 0.00 O ATOM 0 H GLU A 30 1.647 1.135 3.323 1.00 0.00 H new ATOM 0 HA GLU A 30 2.073 3.652 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.129 2.421 5.715 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.582 2.003 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.572 0.114 4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.301 0.400 4.543 1.00 0.00 H new ATOM 506 N LEU A 31 4.331 4.013 3.521 1.00 0.00 N ATOM 507 CA LEU A 31 5.216 4.471 2.458 1.00 0.00 C ATOM 508 C LEU A 31 6.613 4.780 2.970 1.00 0.00 C ATOM 509 O LEU A 31 6.795 5.300 4.072 1.00 0.00 O ATOM 510 CB LEU A 31 4.646 5.707 1.743 1.00 0.00 C ATOM 511 CG LEU A 31 4.722 7.038 2.511 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.515 8.208 1.563 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.687 7.093 3.624 1.00 0.00 C ATOM 0 H LEU A 31 4.496 4.439 4.433 1.00 0.00 H new ATOM 0 HA LEU A 31 5.286 3.650 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.174 5.828 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.601 5.511 1.502 1.00 0.00 H new ATOM 0 HG LEU A 31 5.714 7.106 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.571 9.143 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.289 8.196 0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.536 8.125 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.766 8.046 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.689 6.995 3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.863 6.278 4.325 1.00 0.00 H new ATOM 525 N GLN A 32 7.589 4.440 2.151 1.00 0.00 N ATOM 526 CA GLN A 32 8.968 4.806 2.381 1.00 0.00 C ATOM 527 C GLN A 32 9.207 6.197 1.817 1.00 0.00 C ATOM 528 O GLN A 32 9.056 6.409 0.614 1.00 0.00 O ATOM 529 CB GLN A 32 9.898 3.800 1.693 1.00 0.00 C ATOM 530 CG GLN A 32 11.379 4.111 1.854 1.00 0.00 C ATOM 531 CD GLN A 32 12.255 3.208 1.008 1.00 0.00 C ATOM 532 OE1 GLN A 32 13.373 2.876 1.385 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.759 2.822 -0.154 1.00 0.00 N ATOM 0 H GLN A 32 7.443 3.897 1.300 1.00 0.00 H new ATOM 0 HA GLN A 32 9.176 4.800 3.451 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.701 2.806 2.095 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.658 3.768 0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 32 11.561 5.150 1.580 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.658 4.005 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.824 3.119 -0.433 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.311 2.227 -0.772 1.00 0.00 H new ATOM 542 N GLU A 33 9.540 7.141 2.679 1.00 0.00 N ATOM 543 CA GLU A 33 9.820 8.496 2.238 1.00 0.00 C ATOM 544 C GLU A 33 11.185 8.537 1.564 1.00 0.00 C ATOM 545 O GLU A 33 12.068 7.749 1.905 1.00 0.00 O ATOM 546 CB GLU A 33 9.771 9.463 3.422 1.00 0.00 C ATOM 547 CG GLU A 33 8.448 9.432 4.173 1.00 0.00 C ATOM 548 CD GLU A 33 8.390 10.450 5.290 1.00 0.00 C ATOM 549 OE1 GLU A 33 8.925 10.173 6.385 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.816 11.538 5.080 1.00 0.00 O ATOM 0 H GLU A 33 9.623 6.995 3.685 1.00 0.00 H new ATOM 0 HA GLU A 33 9.061 8.806 1.520 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.578 9.221 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.952 10.476 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.633 9.618 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.292 8.435 4.586 1.00 0.00 H new ATOM 557 N ALA A 34 11.368 9.483 0.646 1.00 0.00 N ATOM 558 CA ALA A 34 12.558 9.530 -0.208 1.00 0.00 C ATOM 559 C ALA A 34 13.799 10.007 0.547 1.00 0.00 C ATOM 560 O ALA A 34 14.777 10.437 -0.065 1.00 0.00 O ATOM 561 CB ALA A 34 12.294 10.429 -1.406 1.00 0.00 C ATOM 0 H ALA A 34 10.702 10.235 0.472 1.00 0.00 H new ATOM 0 HA ALA A 34 12.761 8.514 -0.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.181 10.462 -2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.454 10.035 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.058 11.435 -1.061 1.00 0.00 H new ATOM 567 N ASP A 35 13.760 9.885 1.865 1.00 0.00 N ATOM 568 CA ASP A 35 14.843 10.321 2.741 1.00 0.00 C ATOM 569 C ASP A 35 14.420 10.149 4.191 1.00 0.00 C ATOM 570 O ASP A 35 15.254 10.027 5.088 1.00 0.00 O ATOM 571 CB ASP A 35 15.223 11.785 2.480 1.00 0.00 C ATOM 572 CG ASP A 35 16.348 12.253 3.377 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.506 11.842 3.153 1.00 0.00 O ATOM 574 OD2 ASP A 35 16.077 13.020 4.322 1.00 0.00 O ATOM 0 H ASP A 35 12.969 9.477 2.364 1.00 0.00 H new ATOM 0 HA ASP A 35 15.719 9.707 2.533 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.520 11.901 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.350 12.418 2.635 1.00 0.00 H new ATOM 579 N GLY A 36 13.106 10.129 4.405 1.00 0.00 N ATOM 580 CA GLY A 36 12.553 9.991 5.742 1.00 0.00 C ATOM 581 C GLY A 36 12.971 8.706 6.430 1.00 0.00 C ATOM 582 O GLY A 36 12.964 8.626 7.658 1.00 0.00 O ATOM 0 H GLY A 36 12.407 10.207 3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.869 10.840 6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.465 10.028 5.684 1.00 0.00 H new ATOM 586 N ASP A 37 13.329 7.698 5.648 1.00 0.00 N ATOM 587 CA ASP A 37 13.795 6.433 6.205 1.00 0.00 C ATOM 588 C ASP A 37 15.005 5.946 5.418 1.00 0.00 C ATOM 589 O ASP A 37 16.082 5.727 5.971 1.00 0.00 O ATOM 590 CB ASP A 37 12.686 5.376 6.169 1.00 0.00 C ATOM 591 CG ASP A 37 12.753 4.406 7.335 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.855 3.904 7.645 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.694 4.139 7.950 1.00 0.00 O ATOM 0 H ASP A 37 13.307 7.729 4.629 1.00 0.00 H new ATOM 0 HA ASP A 37 14.076 6.594 7.246 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.717 5.874 6.173 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.754 4.818 5.235 1.00 0.00 H new ATOM 598 N CYS A 38 14.820 5.795 4.114 1.00 0.00 N ATOM 599 CA CYS A 38 15.905 5.423 3.220 1.00 0.00 C ATOM 600 C CYS A 38 15.911 6.356 2.010 1.00 0.00 C ATOM 601 O CYS A 38 15.078 7.253 1.929 1.00 0.00 O ATOM 602 CB CYS A 38 15.787 3.946 2.828 1.00 0.00 C ATOM 603 SG CYS A 38 16.072 2.806 4.229 1.00 0.00 S ATOM 0 H CYS A 38 13.921 5.926 3.650 1.00 0.00 H new ATOM 0 HA CYS A 38 16.863 5.537 3.727 1.00 0.00 H new ATOM 0 HB2 CYS A 38 14.795 3.764 2.416 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.505 3.728 2.038 1.00 0.00 H new ATOM 608 N HIS A 39 16.832 6.156 1.070 1.00 0.00 N ATOM 609 CA HIS A 39 17.113 7.186 0.061 1.00 0.00 C ATOM 610 C HIS A 39 16.155 7.179 -1.133 1.00 0.00 C ATOM 611 O HIS A 39 16.430 7.827 -2.142 1.00 0.00 O ATOM 612 CB HIS A 39 18.566 7.092 -0.436 1.00 0.00 C ATOM 613 CG HIS A 39 18.921 5.843 -1.203 1.00 0.00 C ATOM 614 ND1 HIS A 39 18.333 5.252 -2.271 1.00 0.00 N flip ATOM 615 CD2 HIS A 39 20.037 5.082 -0.921 1.00 0.00 C flip ATOM 616 CE1 HIS A 39 19.095 4.162 -2.610 1.00 0.00 C flip ATOM 617 NE2 HIS A 39 20.115 4.082 -1.779 1.00 0.00 N flip ATOM 0 H HIS A 39 17.390 5.307 0.982 1.00 0.00 H new ATOM 0 HA HIS A 39 16.956 8.134 0.575 1.00 0.00 H new ATOM 0 HB2 HIS A 39 18.769 7.955 -1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 39 19.230 7.167 0.425 1.00 0.00 H new ATOM 0 HD2 HIS A 39 20.738 5.275 -0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 39 18.892 3.482 -3.424 1.00 0.00 H new ATOM 0 HE2 HIS A 39 20.843 3.367 -1.796 1.00 0.00 H new ATOM 626 N LEU A 40 15.035 6.484 -1.039 1.00 0.00 N ATOM 627 CA LEU A 40 14.089 6.462 -2.146 1.00 0.00 C ATOM 628 C LEU A 40 12.661 6.404 -1.638 1.00 0.00 C ATOM 629 O LEU A 40 12.423 6.128 -0.464 1.00 0.00 O ATOM 630 CB LEU A 40 14.343 5.280 -3.079 1.00 0.00 C ATOM 631 CG LEU A 40 13.906 3.924 -2.539 1.00 0.00 C ATOM 632 CD1 LEU A 40 13.298 3.096 -3.655 1.00 0.00 C ATOM 633 CD2 LEU A 40 15.081 3.199 -1.904 1.00 0.00 C ATOM 0 H LEU A 40 14.759 5.936 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 40 14.234 7.385 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.825 5.463 -4.021 1.00 0.00 H new ATOM 0 HB3 LEU A 40 15.409 5.238 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 40 13.150 4.076 -1.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.988 2.128 -3.262 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.432 3.616 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 40 14.037 2.948 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 40 14.750 2.233 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 40 15.861 3.048 -2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 40 15.476 3.796 -1.082 1.00 0.00 H new ATOM 645 N GLN A 41 11.721 6.657 -2.533 1.00 0.00 N ATOM 646 CA GLN A 41 10.313 6.641 -2.186 1.00 0.00 C ATOM 647 C GLN A 41 9.643 5.388 -2.733 1.00 0.00 C ATOM 648 O GLN A 41 9.793 5.053 -3.909 1.00 0.00 O ATOM 649 CB GLN A 41 9.612 7.883 -2.735 1.00 0.00 C ATOM 650 CG GLN A 41 8.140 7.956 -2.359 1.00 0.00 C ATOM 651 CD GLN A 41 7.426 9.130 -3.003 1.00 0.00 C ATOM 652 OE1 GLN A 41 8.031 10.163 -3.285 1.00 0.00 O ATOM 653 NE2 GLN A 41 6.130 8.984 -3.233 1.00 0.00 N ATOM 0 H GLN A 41 11.911 6.877 -3.511 1.00 0.00 H new ATOM 0 HA GLN A 41 10.231 6.640 -1.099 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.120 8.773 -2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.704 7.894 -3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.648 7.030 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.050 8.032 -1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.663 8.112 -2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.599 9.744 -3.658 1.00 0.00 H new ATOM 662 N ALA A 42 8.900 4.706 -1.878 1.00 0.00 N ATOM 663 CA ALA A 42 8.178 3.508 -2.275 1.00 0.00 C ATOM 664 C ALA A 42 6.967 3.307 -1.389 1.00 0.00 C ATOM 665 O ALA A 42 7.071 3.388 -0.172 1.00 0.00 O ATOM 666 CB ALA A 42 9.071 2.283 -2.188 1.00 0.00 C ATOM 0 H ALA A 42 8.780 4.963 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 42 7.857 3.638 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.508 1.400 -2.490 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.928 2.410 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.419 2.158 -1.163 1.00 0.00 H new ATOM 672 N PHE A 43 5.824 3.043 -1.986 1.00 0.00 N ATOM 673 CA PHE A 43 4.641 2.743 -1.207 1.00 0.00 C ATOM 674 C PHE A 43 4.630 1.269 -0.851 1.00 0.00 C ATOM 675 O PHE A 43 4.756 0.407 -1.719 1.00 0.00 O ATOM 676 CB PHE A 43 3.372 3.133 -1.960 1.00 0.00 C ATOM 677 CG PHE A 43 3.103 4.608 -1.937 1.00 0.00 C ATOM 678 CD1 PHE A 43 3.622 5.443 -2.913 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.329 5.160 -0.930 1.00 0.00 C ATOM 680 CE1 PHE A 43 3.376 6.803 -2.885 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.078 6.517 -0.896 1.00 0.00 C ATOM 682 CZ PHE A 43 2.603 7.340 -1.874 1.00 0.00 C ATOM 0 H PHE A 43 5.689 3.030 -2.997 1.00 0.00 H new ATOM 0 HA PHE A 43 4.666 3.330 -0.289 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.455 2.801 -2.995 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.522 2.608 -1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.226 5.026 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.917 4.522 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.787 7.444 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.472 6.935 -0.106 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.409 8.402 -1.848 1.00 0.00 H new ATOM 692 N VAL A 44 4.511 0.988 0.428 1.00 0.00 N ATOM 693 CA VAL A 44 4.562 -0.372 0.909 1.00 0.00 C ATOM 694 C VAL A 44 3.169 -0.823 1.315 1.00 0.00 C ATOM 695 O VAL A 44 2.569 -0.284 2.249 1.00 0.00 O ATOM 696 CB VAL A 44 5.529 -0.513 2.103 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.702 -1.976 2.490 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.875 0.122 1.774 1.00 0.00 C ATOM 0 H VAL A 44 4.377 1.689 1.156 1.00 0.00 H new ATOM 0 HA VAL A 44 4.933 -1.004 0.102 1.00 0.00 H new ATOM 0 HB VAL A 44 5.100 0.012 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.388 -2.050 3.334 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.735 -2.395 2.770 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.107 -2.531 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.546 0.014 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.309 -0.374 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.734 1.180 1.555 1.00 0.00 H new ATOM 708 N LEU A 45 2.642 -1.788 0.593 1.00 0.00 N ATOM 709 CA LEU A 45 1.317 -2.291 0.879 1.00 0.00 C ATOM 710 C LEU A 45 1.413 -3.350 1.969 1.00 0.00 C ATOM 711 O LEU A 45 2.101 -4.366 1.811 1.00 0.00 O ATOM 712 CB LEU A 45 0.656 -2.832 -0.394 1.00 0.00 C ATOM 713 CG LEU A 45 0.578 -1.822 -1.554 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.360 -2.313 -2.642 1.00 0.00 C ATOM 715 CD2 LEU A 45 0.136 -0.455 -1.050 1.00 0.00 C ATOM 0 H LEU A 45 3.109 -2.238 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 45 0.683 -1.481 1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.209 -3.709 -0.730 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.353 -3.165 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 45 1.576 -1.727 -1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.396 -1.581 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.001 -3.265 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.359 -2.446 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.088 0.243 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.848 -0.538 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.852 -0.090 -0.313 1.00 0.00 H new ATOM 727 N HIS A 46 0.740 -3.094 3.079 1.00 0.00 N ATOM 728 CA HIS A 46 0.912 -3.887 4.288 1.00 0.00 C ATOM 729 C HIS A 46 -0.171 -4.957 4.403 1.00 0.00 C ATOM 730 O HIS A 46 -1.306 -4.662 4.773 1.00 0.00 O ATOM 731 CB HIS A 46 0.878 -2.957 5.504 1.00 0.00 C ATOM 732 CG HIS A 46 1.346 -3.574 6.783 1.00 0.00 C ATOM 733 ND1 HIS A 46 2.555 -3.260 7.358 1.00 0.00 N ATOM 734 CD2 HIS A 46 0.751 -4.456 7.621 1.00 0.00 C ATOM 735 CE1 HIS A 46 2.683 -3.917 8.491 1.00 0.00 C ATOM 736 NE2 HIS A 46 1.604 -4.650 8.675 1.00 0.00 N ATOM 0 H HIS A 46 0.063 -2.336 3.169 1.00 0.00 H new ATOM 0 HA HIS A 46 1.874 -4.398 4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.495 -2.084 5.292 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.143 -2.601 5.642 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.245 -2.618 6.967 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.215 -4.919 7.484 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.531 -3.864 9.158 1.00 0.00 H new ATOM 745 N LEU A 47 0.196 -6.199 4.104 1.00 0.00 N ATOM 746 CA LEU A 47 -0.737 -7.316 4.137 1.00 0.00 C ATOM 747 C LEU A 47 -0.592 -8.095 5.424 1.00 0.00 C ATOM 748 O LEU A 47 -1.162 -9.154 5.582 1.00 0.00 O ATOM 749 CB LEU A 47 -0.465 -8.271 2.992 1.00 0.00 C ATOM 750 CG LEU A 47 -0.676 -7.729 1.575 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.544 -6.960 1.095 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.002 -8.862 0.615 1.00 0.00 C ATOM 0 H LEU A 47 1.145 -6.457 3.833 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.742 -6.901 4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.566 -8.615 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.103 -9.145 3.120 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.520 -7.040 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.365 -6.587 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.731 -6.120 1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.411 -7.620 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.149 -8.459 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.179 -9.576 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.913 -9.364 0.941 1.00 0.00 H new ATOM 764 N ALA A 48 0.284 -7.607 6.257 1.00 0.00 N ATOM 765 CA ALA A 48 0.486 -8.121 7.620 1.00 0.00 C ATOM 766 C ALA A 48 1.316 -9.396 7.604 1.00 0.00 C ATOM 767 O ALA A 48 2.453 -9.406 8.075 1.00 0.00 O ATOM 768 CB ALA A 48 -0.839 -8.341 8.335 1.00 0.00 C ATOM 0 H ALA A 48 0.898 -6.827 6.022 1.00 0.00 H new ATOM 0 HA ALA A 48 1.038 -7.365 8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.652 -8.721 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.379 -7.396 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.437 -9.063 7.779 1.00 0.00 H new ATOM 774 N GLN A 49 0.760 -10.472 7.049 1.00 0.00 N ATOM 775 CA GLN A 49 1.545 -11.674 6.825 1.00 0.00 C ATOM 776 C GLN A 49 2.436 -11.427 5.623 1.00 0.00 C ATOM 777 O GLN A 49 3.399 -12.154 5.372 1.00 0.00 O ATOM 778 CB GLN A 49 0.690 -12.936 6.598 1.00 0.00 C ATOM 779 CG GLN A 49 -0.818 -12.757 6.718 1.00 0.00 C ATOM 780 CD GLN A 49 -1.426 -12.014 5.545 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.554 -11.369 5.777 1.00 0.00 O flip ATOM 782 NE2 GLN A 49 -0.902 -12.046 4.432 1.00 0.00 N flip ATOM 0 H GLN A 49 -0.214 -10.532 6.752 1.00 0.00 H new ATOM 0 HA GLN A 49 2.127 -11.870 7.726 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.911 -13.325 5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.003 -13.695 7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.288 -13.737 6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.041 -12.216 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.029 -12.556 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.340 -11.563 3.648 1.00 0.00 H new ATOM 791 N ARG A 50 2.085 -10.389 4.873 1.00 0.00 N ATOM 792 CA ARG A 50 2.898 -9.943 3.756 1.00 0.00 C ATOM 793 C ARG A 50 3.178 -8.454 3.843 1.00 0.00 C ATOM 794 O ARG A 50 2.514 -7.722 4.575 1.00 0.00 O ATOM 795 CB ARG A 50 2.192 -10.200 2.437 1.00 0.00 C ATOM 796 CG ARG A 50 2.078 -11.649 2.039 1.00 0.00 C ATOM 797 CD ARG A 50 1.340 -11.743 0.724 1.00 0.00 C ATOM 798 NE ARG A 50 1.665 -12.956 -0.022 1.00 0.00 N ATOM 799 CZ ARG A 50 1.859 -12.985 -1.341 1.00 0.00 C ATOM 800 NH1 ARG A 50 1.734 -11.875 -2.062 1.00 0.00 N ATOM 801 NH2 ARG A 50 2.179 -14.124 -1.937 1.00 0.00 N ATOM 0 H ARG A 50 1.238 -9.840 5.022 1.00 0.00 H new ATOM 0 HA ARG A 50 3.832 -10.504 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.190 -9.775 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.722 -9.665 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 50 3.069 -12.093 1.947 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.548 -12.210 2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.267 -11.714 0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.580 -10.872 0.115 1.00 0.00 H new ATOM 0 HE ARG A 50 1.748 -13.831 0.496 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.489 -10.996 -1.607 1.00 0.00 H new ATOM 0 HH12 ARG A 50 1.883 -11.902 -3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.277 -14.977 -1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.328 -14.148 -2.946 1.00 0.00 H new ATOM 815 N SER A 51 4.165 -8.016 3.087 1.00 0.00 N ATOM 816 CA SER A 51 4.400 -6.604 2.849 1.00 0.00 C ATOM 817 C SER A 51 5.068 -6.454 1.493 1.00 0.00 C ATOM 818 O SER A 51 6.105 -7.062 1.227 1.00 0.00 O ATOM 819 CB SER A 51 5.256 -5.985 3.964 1.00 0.00 C ATOM 820 OG SER A 51 4.601 -6.087 5.221 1.00 0.00 O ATOM 0 H SER A 51 4.830 -8.631 2.618 1.00 0.00 H new ATOM 0 HA SER A 51 3.451 -6.068 2.852 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.221 -6.490 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.455 -4.938 3.737 1.00 0.00 H new ATOM 0 HG SER A 51 3.738 -6.538 5.105 1.00 0.00 H new ATOM 826 N ILE A 52 4.448 -5.676 0.631 1.00 0.00 N ATOM 827 CA ILE A 52 4.894 -5.558 -0.741 1.00 0.00 C ATOM 828 C ILE A 52 5.292 -4.124 -1.042 1.00 0.00 C ATOM 829 O ILE A 52 4.596 -3.188 -0.663 1.00 0.00 O ATOM 830 CB ILE A 52 3.788 -6.017 -1.721 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.435 -7.488 -1.463 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.224 -5.814 -3.168 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.287 -8.003 -2.309 1.00 0.00 C ATOM 0 H ILE A 52 3.629 -5.113 0.858 1.00 0.00 H new ATOM 0 HA ILE A 52 5.762 -6.204 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 52 2.900 -5.408 -1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.316 -8.101 -1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.181 -7.611 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.429 -6.144 -3.837 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.429 -4.758 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.126 -6.395 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.098 -9.049 -2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.392 -7.416 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.544 -7.914 -3.364 1.00 0.00 H new ATOM 845 N CYS A 53 6.399 -3.959 -1.743 1.00 0.00 N ATOM 846 CA CYS A 53 6.904 -2.637 -2.050 1.00 0.00 C ATOM 847 C CYS A 53 6.541 -2.280 -3.478 1.00 0.00 C ATOM 848 O CYS A 53 6.924 -2.972 -4.423 1.00 0.00 O ATOM 849 CB CYS A 53 8.421 -2.607 -1.863 1.00 0.00 C ATOM 850 SG CYS A 53 8.982 -3.348 -0.296 1.00 0.00 S ATOM 0 H CYS A 53 6.964 -4.725 -2.110 1.00 0.00 H new ATOM 0 HA CYS A 53 6.456 -1.907 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 53 8.891 -3.135 -2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.763 -1.573 -1.909 1.00 0.00 H new ATOM 855 N ILE A 54 5.797 -1.202 -3.634 1.00 0.00 N ATOM 856 CA ILE A 54 5.254 -0.838 -4.924 1.00 0.00 C ATOM 857 C ILE A 54 5.842 0.488 -5.396 1.00 0.00 C ATOM 858 O ILE A 54 6.186 1.356 -4.588 1.00 0.00 O ATOM 859 CB ILE A 54 3.706 -0.757 -4.855 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.078 -1.150 -6.193 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.241 0.635 -4.448 1.00 0.00 C ATOM 862 CD1 ILE A 54 1.566 -1.225 -6.139 1.00 0.00 C ATOM 0 H ILE A 54 5.555 -0.562 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 54 5.526 -1.608 -5.645 1.00 0.00 H new ATOM 0 HB ILE A 54 3.377 -1.464 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.373 -0.426 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.473 -2.117 -6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.152 0.658 -4.409 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.644 0.881 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.593 1.364 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.181 -1.508 -7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.265 -1.969 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.163 -0.252 -5.858 1.00 0.00 H new ATOM 874 N HIS A 55 5.996 0.621 -6.702 1.00 0.00 N ATOM 875 CA HIS A 55 6.466 1.864 -7.290 1.00 0.00 C ATOM 876 C HIS A 55 5.361 2.911 -7.185 1.00 0.00 C ATOM 877 O HIS A 55 4.234 2.652 -7.597 1.00 0.00 O ATOM 878 CB HIS A 55 6.863 1.625 -8.753 1.00 0.00 C ATOM 879 CG HIS A 55 7.411 2.832 -9.454 1.00 0.00 C ATOM 880 ND1 HIS A 55 8.452 3.642 -9.146 1.00 0.00 N flip ATOM 881 CD2 HIS A 55 6.883 3.321 -10.628 1.00 0.00 C flip ATOM 882 CE1 HIS A 55 8.528 4.595 -10.131 1.00 0.00 C flip ATOM 883 NE2 HIS A 55 7.570 4.378 -11.011 1.00 0.00 N flip ATOM 0 H HIS A 55 5.802 -0.118 -7.377 1.00 0.00 H new ATOM 0 HA HIS A 55 7.344 2.226 -6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 55 7.608 0.830 -8.789 1.00 0.00 H new ATOM 0 HB3 HIS A 55 5.990 1.268 -9.300 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.037 2.903 -11.153 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.254 5.393 -10.178 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.391 4.934 -11.847 1.00 0.00 H new ATOM 892 N PRO A 56 5.665 4.089 -6.604 1.00 0.00 N ATOM 893 CA PRO A 56 4.681 5.166 -6.399 1.00 0.00 C ATOM 894 C PRO A 56 3.803 5.412 -7.622 1.00 0.00 C ATOM 895 O PRO A 56 2.582 5.500 -7.516 1.00 0.00 O ATOM 896 CB PRO A 56 5.562 6.383 -6.115 1.00 0.00 C ATOM 897 CG PRO A 56 6.775 5.819 -5.461 1.00 0.00 C ATOM 898 CD PRO A 56 6.995 4.461 -6.079 1.00 0.00 C ATOM 0 HA PRO A 56 3.976 4.928 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.816 6.913 -7.033 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.056 7.097 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.639 6.464 -5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.634 5.738 -4.383 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.741 4.500 -6.873 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.350 3.740 -5.343 1.00 0.00 H new ATOM 906 N GLN A 57 4.433 5.508 -8.783 1.00 0.00 N ATOM 907 CA GLN A 57 3.711 5.691 -10.033 1.00 0.00 C ATOM 908 C GLN A 57 3.244 4.344 -10.570 1.00 0.00 C ATOM 909 O GLN A 57 3.803 3.822 -11.537 1.00 0.00 O ATOM 910 CB GLN A 57 4.596 6.388 -11.078 1.00 0.00 C ATOM 911 CG GLN A 57 4.794 7.885 -10.864 1.00 0.00 C ATOM 912 CD GLN A 57 5.219 8.248 -9.455 1.00 0.00 C ATOM 913 OE1 GLN A 57 6.403 8.213 -9.125 1.00 0.00 O ATOM 914 NE2 GLN A 57 4.259 8.631 -8.627 1.00 0.00 N ATOM 0 H GLN A 57 5.447 5.462 -8.886 1.00 0.00 H new ATOM 0 HA GLN A 57 2.844 6.321 -9.836 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.573 5.905 -11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 57 4.158 6.233 -12.064 1.00 0.00 H new ATOM 0 HG2 GLN A 57 5.546 8.247 -11.565 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.864 8.403 -11.098 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.289 8.645 -8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.490 8.912 -7.674 1.00 0.00 H new ATOM 923 N ASN A 58 2.263 3.757 -9.904 1.00 0.00 N ATOM 924 CA ASN A 58 1.684 2.503 -10.346 1.00 0.00 C ATOM 925 C ASN A 58 0.164 2.570 -10.242 1.00 0.00 C ATOM 926 O ASN A 58 -0.379 2.783 -9.155 1.00 0.00 O ATOM 927 CB ASN A 58 2.203 1.335 -9.505 1.00 0.00 C ATOM 928 CG ASN A 58 1.929 0.000 -10.158 1.00 0.00 C ATOM 929 OD1 ASN A 58 1.720 -1.018 -9.350 1.00 0.00 O flip ATOM 930 ND2 ASN A 58 1.902 -0.117 -11.382 1.00 0.00 N flip ATOM 0 H ASN A 58 1.850 4.133 -9.050 1.00 0.00 H new ATOM 0 HA ASN A 58 1.974 2.340 -11.384 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.276 1.449 -9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.734 1.360 -8.521 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.069 0.695 -11.976 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.713 -1.026 -11.803 1.00 0.00 H new ATOM 937 N PRO A 59 -0.534 2.384 -11.373 1.00 0.00 N ATOM 938 CA PRO A 59 -2.003 2.449 -11.441 1.00 0.00 C ATOM 939 C PRO A 59 -2.694 1.577 -10.391 1.00 0.00 C ATOM 940 O PRO A 59 -3.783 1.907 -9.914 1.00 0.00 O ATOM 941 CB PRO A 59 -2.311 1.924 -12.843 1.00 0.00 C ATOM 942 CG PRO A 59 -1.095 2.232 -13.642 1.00 0.00 C ATOM 943 CD PRO A 59 0.064 2.110 -12.695 1.00 0.00 C ATOM 0 HA PRO A 59 -2.366 3.458 -11.246 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.513 0.853 -12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -3.193 2.409 -13.262 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.991 1.539 -14.477 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.150 3.235 -14.065 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.510 1.116 -12.734 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.853 2.824 -12.933 1.00 0.00 H new ATOM 951 N SER A 60 -2.050 0.471 -10.026 1.00 0.00 N ATOM 952 CA SER A 60 -2.617 -0.473 -9.075 1.00 0.00 C ATOM 953 C SER A 60 -2.834 0.169 -7.710 1.00 0.00 C ATOM 954 O SER A 60 -3.756 -0.197 -6.990 1.00 0.00 O ATOM 955 CB SER A 60 -1.698 -1.680 -8.935 1.00 0.00 C ATOM 956 OG SER A 60 -1.225 -2.095 -10.202 1.00 0.00 O ATOM 0 H SER A 60 -1.130 0.208 -10.379 1.00 0.00 H new ATOM 0 HA SER A 60 -3.588 -0.790 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.855 -1.430 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.234 -2.499 -8.455 1.00 0.00 H new ATOM 0 HG SER A 60 -0.269 -1.891 -10.277 1.00 0.00 H new ATOM 962 N LEU A 61 -1.994 1.132 -7.359 1.00 0.00 N ATOM 963 CA LEU A 61 -2.097 1.773 -6.059 1.00 0.00 C ATOM 964 C LEU A 61 -3.276 2.742 -6.042 1.00 0.00 C ATOM 965 O LEU A 61 -3.995 2.833 -5.049 1.00 0.00 O ATOM 966 CB LEU A 61 -0.797 2.492 -5.710 1.00 0.00 C ATOM 967 CG LEU A 61 -0.736 3.082 -4.300 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.947 2.003 -3.242 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.595 3.767 -4.084 1.00 0.00 C ATOM 0 H LEU A 61 -1.241 1.483 -7.951 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.270 1.006 -5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.030 1.792 -5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.641 3.296 -6.430 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.538 3.813 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.898 2.452 -2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.924 1.541 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.170 1.245 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.630 4.184 -3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.401 3.043 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.715 4.568 -4.813 1.00 0.00 H new ATOM 981 N SER A 62 -3.478 3.446 -7.150 1.00 0.00 N ATOM 982 CA SER A 62 -4.643 4.309 -7.304 1.00 0.00 C ATOM 983 C SER A 62 -5.912 3.470 -7.192 1.00 0.00 C ATOM 984 O SER A 62 -6.857 3.821 -6.476 1.00 0.00 O ATOM 985 CB SER A 62 -4.585 5.017 -8.658 1.00 0.00 C ATOM 986 OG SER A 62 -3.325 5.641 -8.845 1.00 0.00 O ATOM 0 H SER A 62 -2.851 3.436 -7.954 1.00 0.00 H new ATOM 0 HA SER A 62 -4.649 5.064 -6.518 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.762 4.298 -9.458 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.378 5.763 -8.718 1.00 0.00 H new ATOM 0 HG SER A 62 -3.307 6.087 -9.717 1.00 0.00 H new ATOM 992 N GLN A 63 -5.900 2.340 -7.888 1.00 0.00 N ATOM 993 CA GLN A 63 -6.989 1.381 -7.827 1.00 0.00 C ATOM 994 C GLN A 63 -7.159 0.857 -6.410 1.00 0.00 C ATOM 995 O GLN A 63 -8.275 0.677 -5.936 1.00 0.00 O ATOM 996 CB GLN A 63 -6.711 0.218 -8.777 1.00 0.00 C ATOM 997 CG GLN A 63 -6.773 0.605 -10.243 1.00 0.00 C ATOM 998 CD GLN A 63 -6.065 -0.387 -11.145 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.565 -0.021 -12.208 1.00 0.00 O ATOM 1000 NE2 GLN A 63 -6.007 -1.642 -10.730 1.00 0.00 N ATOM 0 H GLN A 63 -5.137 2.066 -8.507 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.909 1.881 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.724 -0.191 -8.559 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.434 -0.576 -8.588 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.816 0.686 -10.548 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -6.325 1.590 -10.373 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -6.434 -1.906 -9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.535 -2.346 -11.298 1.00 0.00 H new ATOM 1009 N TRP A 64 -6.044 0.616 -5.731 1.00 0.00 N ATOM 1010 CA TRP A 64 -6.080 0.090 -4.377 1.00 0.00 C ATOM 1011 C TRP A 64 -6.780 1.054 -3.433 1.00 0.00 C ATOM 1012 O TRP A 64 -7.515 0.624 -2.559 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.668 -0.246 -3.874 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.631 -0.756 -2.459 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.730 -0.414 -1.488 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.536 -1.695 -1.851 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.025 -1.072 -0.320 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.123 -1.862 -0.518 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.654 -2.409 -2.298 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -5.785 -2.704 0.366 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.304 -3.245 -1.418 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -6.871 -3.384 -0.101 1.00 0.00 C ATOM 0 H TRP A 64 -5.106 0.777 -6.098 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.655 -0.835 -4.397 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.227 -0.995 -4.532 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -4.046 0.646 -3.945 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.907 0.273 -1.621 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.508 -0.985 0.555 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.001 -2.306 -3.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.452 -2.816 1.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.165 -3.803 -1.755 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -7.407 -4.045 0.564 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.583 2.349 -3.620 1.00 0.00 N ATOM 1034 CA PHE A 65 -7.271 3.329 -2.788 1.00 0.00 C ATOM 1035 C PHE A 65 -8.782 3.207 -2.963 1.00 0.00 C ATOM 1036 O PHE A 65 -9.541 3.280 -1.993 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.795 4.747 -3.106 1.00 0.00 C ATOM 1038 CG PHE A 65 -5.342 4.957 -2.788 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.798 4.452 -1.616 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -4.522 5.657 -3.655 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.463 4.642 -1.316 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -3.188 5.848 -3.360 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.657 5.342 -2.190 1.00 0.00 C ATOM 0 H PHE A 65 -5.964 2.744 -4.328 1.00 0.00 H new ATOM 0 HA PHE A 65 -7.029 3.124 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.965 4.954 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.393 5.462 -2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.426 3.903 -0.930 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.930 6.058 -4.571 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.052 4.244 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.557 6.395 -4.046 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.613 5.494 -1.960 1.00 0.00 H new ATOM 1053 N GLU A 66 -9.213 2.981 -4.200 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.625 2.740 -4.484 1.00 0.00 C ATOM 1055 C GLU A 66 -11.070 1.420 -3.855 1.00 0.00 C ATOM 1056 O GLU A 66 -12.104 1.339 -3.183 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.863 2.662 -5.993 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.292 3.825 -6.782 1.00 0.00 C ATOM 1059 CD GLU A 66 -10.476 3.638 -8.273 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -9.663 2.921 -8.891 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.446 4.190 -8.834 1.00 0.00 O ATOM 0 H GLU A 66 -8.607 2.960 -5.020 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.199 3.567 -4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.428 1.736 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.936 2.607 -6.176 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.777 4.749 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.231 3.930 -6.557 1.00 0.00 H new ATOM 1068 N HIS A 67 -10.258 0.393 -4.067 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.613 -0.968 -3.684 1.00 0.00 C ATOM 1070 C HIS A 67 -10.563 -1.162 -2.174 1.00 0.00 C ATOM 1071 O HIS A 67 -11.423 -1.826 -1.619 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.709 -1.989 -4.386 1.00 0.00 C ATOM 1073 CG HIS A 67 -9.883 -2.030 -5.879 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -9.428 -3.065 -6.666 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.445 -1.140 -6.729 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -9.696 -2.803 -7.931 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.312 -1.641 -7.996 1.00 0.00 N ATOM 0 H HIS A 67 -9.341 0.478 -4.506 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.641 -1.135 -4.006 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.669 -1.757 -4.157 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.911 -2.980 -3.979 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -8.957 -3.903 -6.324 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.913 -0.205 -6.458 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.451 -3.435 -8.772 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.567 -0.576 -1.516 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.451 -0.664 -0.060 1.00 0.00 C ATOM 1088 C GLN A 68 -10.661 -0.011 0.586 1.00 0.00 C ATOM 1089 O GLN A 68 -11.149 -0.459 1.622 1.00 0.00 O ATOM 1090 CB GLN A 68 -8.164 0.013 0.433 1.00 0.00 C ATOM 1091 CG GLN A 68 -8.170 1.530 0.291 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.862 2.174 0.707 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.763 1.472 0.500 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -6.840 3.300 1.197 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.828 -0.035 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.408 -1.716 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.009 -0.243 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.317 -0.391 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.382 1.791 -0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.979 1.942 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -7.711 3.811 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.951 3.725 1.460 1.00 0.00 H new ATOM 1103 N GLU A 69 -11.156 1.034 -0.068 1.00 0.00 N ATOM 1104 CA GLU A 69 -12.326 1.755 0.406 1.00 0.00 C ATOM 1105 C GLU A 69 -13.543 0.832 0.441 1.00 0.00 C ATOM 1106 O GLU A 69 -14.428 0.983 1.284 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.592 2.960 -0.501 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.740 3.842 -0.045 1.00 0.00 C ATOM 1109 CD GLU A 69 -14.003 4.987 -0.999 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -14.751 4.788 -1.979 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.471 6.093 -0.774 1.00 0.00 O ATOM 0 H GLU A 69 -10.760 1.401 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.139 2.110 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.686 3.563 -0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.802 2.602 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.642 3.238 0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.517 4.241 0.944 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.568 -0.136 -0.467 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.681 -1.076 -0.562 1.00 0.00 C ATOM 1120 C ARG A 70 -14.251 -2.502 -0.205 1.00 0.00 C ATOM 1121 O ARG A 70 -14.941 -3.468 -0.538 1.00 0.00 O ATOM 1122 CB ARG A 70 -15.273 -1.036 -1.973 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.243 -1.236 -3.073 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.848 -1.035 -4.452 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.731 -2.132 -4.835 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.978 -1.967 -5.265 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -17.557 -0.773 -5.210 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.662 -3.010 -5.714 1.00 0.00 N ATOM 0 H ARG A 70 -12.828 -0.292 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.440 -0.774 0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -16.038 -1.808 -2.059 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.770 -0.077 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.419 -0.537 -2.932 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.825 -2.240 -3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.407 -0.099 -4.468 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.048 -0.942 -5.187 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.369 -3.083 -4.769 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -17.044 0.026 -4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -18.514 -0.655 -5.542 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.231 -3.934 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.619 -2.888 -6.045 1.00 0.00 H new ATOM 1142 N LYS A 71 -13.131 -2.634 0.496 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.607 -3.951 0.852 1.00 0.00 C ATOM 1144 C LYS A 71 -12.265 -3.990 2.340 1.00 0.00 C ATOM 1145 O LYS A 71 -12.697 -3.113 3.094 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.369 -4.272 0.005 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.226 -5.744 -0.365 1.00 0.00 C ATOM 1148 CD LYS A 71 -9.923 -6.011 -1.101 1.00 0.00 C ATOM 1149 CE LYS A 71 -9.896 -5.361 -2.474 1.00 0.00 C ATOM 1150 NZ LYS A 71 -10.880 -5.973 -3.406 1.00 0.00 N ATOM 0 H LYS A 71 -12.569 -1.850 0.829 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.368 -4.705 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.406 -3.681 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.479 -3.958 0.550 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.266 -6.353 0.538 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.066 -6.046 -0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.089 -5.637 -0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.781 -7.087 -1.207 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.107 -4.296 -2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.895 -5.449 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.566 -5.828 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.954 -6.992 -3.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.810 -5.527 -3.271 1.00 0.00 H new ATOM 1164 N LEU A 72 -11.475 -4.989 2.751 1.00 0.00 N ATOM 1165 CA LEU A 72 -11.123 -5.189 4.154 1.00 0.00 C ATOM 1166 C LEU A 72 -12.353 -5.244 5.053 1.00 0.00 C ATOM 1167 O LEU A 72 -13.041 -6.264 5.120 1.00 0.00 O ATOM 1168 CB LEU A 72 -10.177 -4.094 4.644 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.712 -4.238 4.241 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.542 -4.235 2.728 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.917 -3.115 4.863 1.00 0.00 C ATOM 0 H LEU A 72 -11.065 -5.677 2.120 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.618 -6.153 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.541 -3.136 4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.231 -4.057 5.732 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.344 -5.198 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.486 -4.339 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.100 -5.067 2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.919 -3.297 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.869 -3.211 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.302 -2.158 4.511 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.005 -3.164 5.948 1.00 0.00 H new