USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 609 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 Single : A 12 CYS SG : rot -100:sc= -2.82 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= 0.0413 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 40:sc= 0.223 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0218 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 150:sc= 0 USER MOD Single : A 36 MET CE :methyl -145:sc= -2.25 (180deg=-7.07!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 95:sc= 0.933 USER MOD Single : A 42 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.43) USER MOD Single : A 46 MET CE :methyl 172:sc= -0.246 (180deg=-0.405) USER MOD Single : A 55 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 60 ASN : amide:sc= -7.11! C(o=-7.1!,f=-5.8!) USER MOD Single : A 63 ASN : amide:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -1.1 X(o=-1.1,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.27) USER MOD Single : A 77 LYS NZ :NH3+ -157:sc= -0.0913 (180deg=-0.444) USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= -0.188 (180deg=-1.4) USER MOD Single : A 79 SER OG : rot -107:sc= -0.552 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -167:sc= -0.05 (180deg=-0.416) USER MOD Single : A 90 LYS NZ :NH3+ -129:sc= -2.11 (180deg=-5.95!) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.562 -8.590 -12.120 1.00 0.00 N ATOM 84 CA PRO A 9 -0.750 -7.536 -11.119 1.00 0.00 C ATOM 85 C PRO A 9 -0.381 -6.156 -11.654 1.00 0.00 C ATOM 86 O PRO A 9 0.084 -6.023 -12.786 1.00 0.00 O ATOM 87 CB PRO A 9 0.201 -7.944 -9.991 1.00 0.00 C ATOM 88 CG PRO A 9 1.252 -8.761 -10.659 1.00 0.00 C ATOM 89 CD PRO A 9 0.565 -9.478 -11.788 1.00 0.00 C ATOM 0 HA PRO A 9 -1.791 -7.451 -10.807 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.631 -7.071 -9.500 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.318 -8.518 -9.223 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.059 -8.130 -11.031 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.698 -9.469 -9.961 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.231 -9.618 -12.640 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.222 -10.467 -11.486 1.00 0.00 H new ATOM 97 N ARG A 10 -0.591 -5.133 -10.832 1.00 0.00 N ATOM 98 CA ARG A 10 -0.281 -3.763 -11.224 1.00 0.00 C ATOM 99 C ARG A 10 0.939 -3.245 -10.468 1.00 0.00 C ATOM 100 O ARG A 10 1.006 -3.331 -9.241 1.00 0.00 O ATOM 101 CB ARG A 10 -1.481 -2.851 -10.962 1.00 0.00 C ATOM 102 CG ARG A 10 -1.549 -1.652 -11.893 1.00 0.00 C ATOM 103 CD ARG A 10 -2.434 -0.554 -11.324 1.00 0.00 C ATOM 104 NE ARG A 10 -3.849 -0.798 -11.590 1.00 0.00 N ATOM 105 CZ ARG A 10 -4.788 0.135 -11.485 1.00 0.00 C ATOM 106 NH1 ARG A 10 -4.464 1.369 -11.122 1.00 0.00 N ATOM 107 NH2 ARG A 10 -6.055 -0.164 -11.744 1.00 0.00 N ATOM 0 H ARG A 10 -0.974 -5.227 -9.891 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.056 -3.759 -12.291 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.397 -3.432 -11.064 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.440 -2.498 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.545 -1.262 -12.059 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.934 -1.965 -12.863 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.275 -0.481 -10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.144 0.405 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.132 -1.737 -11.872 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.491 1.603 -10.923 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.187 2.084 -11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.308 -1.111 -12.024 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.775 0.554 -11.663 1.00 0.00 H new ATOM 121 N LEU A 11 1.902 -2.706 -11.208 1.00 0.00 N ATOM 122 CA LEU A 11 3.120 -2.174 -10.609 1.00 0.00 C ATOM 123 C LEU A 11 2.911 -0.740 -10.131 1.00 0.00 C ATOM 124 O LEU A 11 2.702 0.169 -10.936 1.00 0.00 O ATOM 125 CB LEU A 11 4.272 -2.225 -11.615 1.00 0.00 C ATOM 126 CG LEU A 11 5.678 -2.072 -11.034 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.794 -0.773 -10.251 1.00 0.00 C ATOM 128 CD2 LEU A 11 6.022 -3.262 -10.150 1.00 0.00 C ATOM 0 H LEU A 11 1.862 -2.626 -12.224 1.00 0.00 H new ATOM 0 HA LEU A 11 3.371 -2.792 -9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.222 -3.175 -12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.118 -1.438 -12.353 1.00 0.00 H new ATOM 0 HG LEU A 11 6.390 -2.040 -11.859 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.801 -0.682 -9.845 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.591 0.070 -10.912 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.072 -0.775 -9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.026 -3.136 -9.745 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.306 -3.326 -9.331 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.981 -4.178 -10.740 1.00 0.00 H new ATOM 140 N CYS A 12 2.971 -0.545 -8.818 1.00 0.00 N ATOM 141 CA CYS A 12 2.789 0.778 -8.233 1.00 0.00 C ATOM 142 C CYS A 12 4.134 1.408 -7.885 1.00 0.00 C ATOM 143 O CYS A 12 4.713 1.121 -6.837 1.00 0.00 O ATOM 144 CB CYS A 12 1.914 0.690 -6.982 1.00 0.00 C ATOM 145 SG CYS A 12 0.419 -0.304 -7.195 1.00 0.00 S ATOM 0 H CYS A 12 3.144 -1.286 -8.139 1.00 0.00 H new ATOM 0 HA CYS A 12 2.293 1.409 -8.970 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.504 0.269 -6.168 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.628 1.698 -6.680 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.599 0.480 -7.395 1.00 0.00 H new ATOM 151 N TYR A 13 4.626 2.267 -8.771 1.00 0.00 N ATOM 152 CA TYR A 13 5.904 2.935 -8.560 1.00 0.00 C ATOM 153 C TYR A 13 5.726 4.205 -7.733 1.00 0.00 C ATOM 154 O TYR A 13 5.324 5.247 -8.252 1.00 0.00 O ATOM 155 CB TYR A 13 6.554 3.274 -9.902 1.00 0.00 C ATOM 156 CG TYR A 13 8.066 3.237 -9.870 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.753 2.034 -9.974 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.806 4.405 -9.734 1.00 0.00 C ATOM 159 CE1 TYR A 13 10.134 1.995 -9.944 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.187 4.376 -9.704 1.00 0.00 C ATOM 161 CZ TYR A 13 10.846 3.169 -9.810 1.00 0.00 C ATOM 162 OH TYR A 13 12.221 3.135 -9.780 1.00 0.00 O ATOM 0 H TYR A 13 4.159 2.517 -9.642 1.00 0.00 H new ATOM 0 HA TYR A 13 6.554 2.254 -8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.198 2.572 -10.656 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.230 4.267 -10.212 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.198 1.113 -10.080 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.293 5.352 -9.650 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.653 1.051 -10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.747 5.293 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 13 12.569 4.046 -9.682 1.00 0.00 H new ATOM 172 N LEU A 14 6.029 4.110 -6.443 1.00 0.00 N ATOM 173 CA LEU A 14 5.904 5.250 -5.542 1.00 0.00 C ATOM 174 C LEU A 14 7.140 6.140 -5.614 1.00 0.00 C ATOM 175 O LEU A 14 8.244 5.666 -5.885 1.00 0.00 O ATOM 176 CB LEU A 14 5.691 4.769 -4.105 1.00 0.00 C ATOM 177 CG LEU A 14 4.238 4.567 -3.673 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.608 5.894 -3.280 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.439 3.904 -4.786 1.00 0.00 C ATOM 0 H LEU A 14 6.363 3.255 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 14 5.039 5.835 -5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.222 3.826 -3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.153 5.489 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 14 4.225 3.911 -2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.574 5.730 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.166 6.330 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.632 6.574 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.407 3.768 -4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.460 4.535 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.877 2.934 -5.020 1.00 0.00 H new ATOM 191 N VAL A 15 6.949 7.432 -5.369 1.00 0.00 N ATOM 192 CA VAL A 15 8.049 8.389 -5.404 1.00 0.00 C ATOM 193 C VAL A 15 7.876 9.464 -4.337 1.00 0.00 C ATOM 194 O VAL A 15 6.863 10.163 -4.303 1.00 0.00 O ATOM 195 CB VAL A 15 8.163 9.064 -6.783 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.208 10.169 -6.752 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.495 8.035 -7.853 1.00 0.00 C ATOM 0 H VAL A 15 6.042 7.841 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 15 8.962 7.828 -5.206 1.00 0.00 H new ATOM 0 HB VAL A 15 7.201 9.514 -7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.275 10.635 -7.735 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.923 10.919 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.176 9.746 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.572 8.529 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.444 7.555 -7.614 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.707 7.283 -7.891 1.00 0.00 H new ATOM 207 N LYS A 16 8.871 9.592 -3.466 1.00 0.00 N ATOM 208 CA LYS A 16 8.832 10.583 -2.398 1.00 0.00 C ATOM 209 C LYS A 16 8.569 11.977 -2.959 1.00 0.00 C ATOM 210 O LYS A 16 9.369 12.507 -3.728 1.00 0.00 O ATOM 211 CB LYS A 16 10.149 10.576 -1.619 1.00 0.00 C ATOM 212 CG LYS A 16 10.217 9.499 -0.549 1.00 0.00 C ATOM 213 CD LYS A 16 11.449 9.659 0.325 1.00 0.00 C ATOM 214 CE LYS A 16 11.645 8.458 1.237 1.00 0.00 C ATOM 215 NZ LYS A 16 12.738 8.682 2.223 1.00 0.00 N ATOM 0 H LYS A 16 9.716 9.020 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 16 8.017 10.322 -1.724 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.974 10.435 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.290 11.550 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.322 9.544 0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.229 8.516 -1.021 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.329 9.786 -0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.354 10.563 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.716 8.249 1.767 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.874 7.579 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.473 8.261 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.613 8.239 1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.892 9.703 2.344 1.00 0.00 H new ATOM 229 N GLU A 17 7.442 12.565 -2.567 1.00 0.00 N ATOM 230 CA GLU A 17 7.075 13.898 -3.031 1.00 0.00 C ATOM 231 C GLU A 17 6.893 14.852 -1.855 1.00 0.00 C ATOM 232 O GLU A 17 7.547 15.891 -1.777 1.00 0.00 O ATOM 233 CB GLU A 17 5.789 13.838 -3.858 1.00 0.00 C ATOM 234 CG GLU A 17 5.987 13.262 -5.250 1.00 0.00 C ATOM 235 CD GLU A 17 6.335 14.323 -6.276 1.00 0.00 C ATOM 236 OE1 GLU A 17 7.465 14.853 -6.220 1.00 0.00 O ATOM 237 OE2 GLU A 17 5.479 14.623 -7.135 1.00 0.00 O ATOM 0 H GLU A 17 6.768 12.139 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 17 7.884 14.272 -3.658 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.053 13.236 -3.326 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.376 14.843 -3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.781 12.516 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.077 12.747 -5.559 1.00 0.00 H new ATOM 244 N GLY A 18 5.997 14.491 -0.941 1.00 0.00 N ATOM 245 CA GLY A 18 5.743 15.326 0.219 1.00 0.00 C ATOM 246 C GLY A 18 5.734 14.535 1.512 1.00 0.00 C ATOM 247 O GLY A 18 5.004 13.553 1.642 1.00 0.00 O ATOM 0 H GLY A 18 5.443 13.636 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.505 16.103 0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.784 15.829 0.098 1.00 0.00 H new ATOM 251 N GLY A 19 6.549 14.962 2.472 1.00 0.00 N ATOM 252 CA GLY A 19 6.617 14.274 3.748 1.00 0.00 C ATOM 253 C GLY A 19 6.490 12.771 3.603 1.00 0.00 C ATOM 254 O GLY A 19 7.384 12.114 3.070 1.00 0.00 O ATOM 0 H GLY A 19 7.163 15.772 2.389 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.563 14.510 4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.823 14.642 4.398 1.00 0.00 H new ATOM 258 N SER A 20 5.377 12.223 4.081 1.00 0.00 N ATOM 259 CA SER A 20 5.139 10.787 4.007 1.00 0.00 C ATOM 260 C SER A 20 4.502 10.409 2.673 1.00 0.00 C ATOM 261 O SER A 20 3.706 11.166 2.116 1.00 0.00 O ATOM 262 CB SER A 20 4.238 10.338 5.160 1.00 0.00 C ATOM 263 OG SER A 20 4.419 8.961 5.442 1.00 0.00 O ATOM 0 H SER A 20 4.626 12.753 4.524 1.00 0.00 H new ATOM 0 HA SER A 20 6.101 10.280 4.087 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.460 10.927 6.050 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.195 10.526 4.905 1.00 0.00 H new ATOM 0 HG SER A 20 3.834 8.699 6.183 1.00 0.00 H new ATOM 269 N TYR A 21 4.860 9.235 2.166 1.00 0.00 N ATOM 270 CA TYR A 21 4.326 8.757 0.896 1.00 0.00 C ATOM 271 C TYR A 21 2.827 9.024 0.799 1.00 0.00 C ATOM 272 O TYR A 21 2.389 9.907 0.064 1.00 0.00 O ATOM 273 CB TYR A 21 4.601 7.261 0.734 1.00 0.00 C ATOM 274 CG TYR A 21 5.968 6.954 0.166 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.211 7.047 -1.199 1.00 0.00 C ATOM 276 CD2 TYR A 21 7.016 6.570 0.993 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.458 6.766 -1.723 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.267 6.289 0.478 1.00 0.00 C ATOM 279 CZ TYR A 21 8.483 6.389 -0.881 1.00 0.00 C ATOM 280 OH TYR A 21 9.727 6.109 -1.398 1.00 0.00 O ATOM 0 H TYR A 21 5.517 8.597 2.614 1.00 0.00 H new ATOM 0 HA TYR A 21 4.825 9.300 0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.503 6.775 1.705 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.841 6.829 0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.411 7.344 -1.861 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.850 6.490 2.057 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.629 6.841 -2.787 1.00 0.00 H new ATOM 0 HE2 TYR A 21 9.071 5.993 1.135 1.00 0.00 H new ATOM 0 HH TYR A 21 9.939 6.752 -2.107 1.00 0.00 H new ATOM 290 N GLY A 22 2.046 8.252 1.549 1.00 0.00 N ATOM 291 CA GLY A 22 0.605 8.420 1.535 1.00 0.00 C ATOM 292 C GLY A 22 -0.126 7.199 2.058 1.00 0.00 C ATOM 293 O GLY A 22 -0.909 7.293 3.004 1.00 0.00 O ATOM 0 H GLY A 22 2.386 7.514 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.337 9.287 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.276 8.628 0.517 1.00 0.00 H new ATOM 297 N PHE A 23 0.127 6.051 1.439 1.00 0.00 N ATOM 298 CA PHE A 23 -0.515 4.806 1.846 1.00 0.00 C ATOM 299 C PHE A 23 -0.251 4.514 3.320 1.00 0.00 C ATOM 300 O PHE A 23 0.484 5.243 3.987 1.00 0.00 O ATOM 301 CB PHE A 23 -0.014 3.644 0.986 1.00 0.00 C ATOM 302 CG PHE A 23 1.477 3.467 1.029 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.065 2.652 1.983 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.291 4.117 0.115 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.437 2.487 2.024 1.00 0.00 C ATOM 306 CE2 PHE A 23 3.664 3.955 0.151 1.00 0.00 C ATOM 307 CZ PHE A 23 4.237 3.140 1.107 1.00 0.00 C ATOM 0 H PHE A 23 0.772 5.957 0.654 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.590 4.917 1.703 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.491 2.723 1.320 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.323 3.807 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.444 2.140 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 23 1.848 4.757 -0.634 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.883 1.848 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.287 4.466 -0.568 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.309 3.013 1.138 1.00 0.00 H new ATOM 317 N SER A 24 -0.856 3.442 3.823 1.00 0.00 N ATOM 318 CA SER A 24 -0.690 3.055 5.219 1.00 0.00 C ATOM 319 C SER A 24 -0.494 1.547 5.345 1.00 0.00 C ATOM 320 O SER A 24 -1.114 0.766 4.622 1.00 0.00 O ATOM 321 CB SER A 24 -1.904 3.494 6.039 1.00 0.00 C ATOM 322 OG SER A 24 -1.931 4.902 6.198 1.00 0.00 O ATOM 0 H SER A 24 -1.465 2.826 3.284 1.00 0.00 H new ATOM 0 HA SER A 24 0.199 3.552 5.606 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.818 3.163 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.878 3.015 7.018 1.00 0.00 H new ATOM 0 HG SER A 24 -2.718 5.157 6.724 1.00 0.00 H new ATOM 328 N LEU A 25 0.372 1.145 6.268 1.00 0.00 N ATOM 329 CA LEU A 25 0.651 -0.269 6.491 1.00 0.00 C ATOM 330 C LEU A 25 0.149 -0.714 7.861 1.00 0.00 C ATOM 331 O LEU A 25 0.399 -0.056 8.870 1.00 0.00 O ATOM 332 CB LEU A 25 2.153 -0.538 6.374 1.00 0.00 C ATOM 333 CG LEU A 25 2.810 -0.111 5.061 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.323 -0.236 5.156 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.277 -0.941 3.902 1.00 0.00 C ATOM 0 H LEU A 25 0.893 1.778 6.874 1.00 0.00 H new ATOM 0 HA LEU A 25 0.125 -0.842 5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.658 -0.027 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.323 -1.606 6.512 1.00 0.00 H new ATOM 0 HG LEU A 25 2.562 0.934 4.877 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.773 0.072 4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.691 0.402 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.590 -1.272 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.756 -0.623 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.493 -1.995 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.199 -0.801 3.820 1.00 0.00 H new ATOM 347 N LYS A 26 -0.560 -1.838 7.889 1.00 0.00 N ATOM 348 CA LYS A 26 -1.095 -2.375 9.134 1.00 0.00 C ATOM 349 C LYS A 26 -1.079 -3.900 9.121 1.00 0.00 C ATOM 350 O LYS A 26 -1.298 -4.525 8.083 1.00 0.00 O ATOM 351 CB LYS A 26 -2.522 -1.871 9.359 1.00 0.00 C ATOM 352 CG LYS A 26 -3.545 -2.508 8.434 1.00 0.00 C ATOM 353 CD LYS A 26 -4.965 -2.218 8.888 1.00 0.00 C ATOM 354 CE LYS A 26 -5.957 -3.195 8.274 1.00 0.00 C ATOM 355 NZ LYS A 26 -7.349 -2.934 8.734 1.00 0.00 N ATOM 0 H LYS A 26 -0.777 -2.395 7.062 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.461 -2.030 9.951 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.808 -2.065 10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.543 -0.790 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.403 -2.134 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.386 -3.586 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.020 -2.277 9.975 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.236 -1.200 8.610 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.914 -3.122 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.673 -4.214 8.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.995 -3.620 8.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.396 -3.029 9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.630 -1.970 8.462 1.00 0.00 H new ATOM 369 N THR A 27 -0.819 -4.495 10.281 1.00 0.00 N ATOM 370 CA THR A 27 -0.774 -5.946 10.403 1.00 0.00 C ATOM 371 C THR A 27 -2.071 -6.488 10.994 1.00 0.00 C ATOM 372 O THR A 27 -2.603 -5.939 11.958 1.00 0.00 O ATOM 373 CB THR A 27 0.406 -6.401 11.282 1.00 0.00 C ATOM 374 OG1 THR A 27 0.278 -5.850 12.597 1.00 0.00 O ATOM 375 CG2 THR A 27 1.732 -5.969 10.673 1.00 0.00 C ATOM 0 H THR A 27 -0.636 -3.993 11.150 1.00 0.00 H new ATOM 0 HA THR A 27 -0.641 -6.343 9.397 1.00 0.00 H new ATOM 0 HB THR A 27 0.388 -7.489 11.341 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.031 -6.145 13.150 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.551 -6.301 11.311 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.840 -6.413 9.683 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.756 -4.883 10.588 1.00 0.00 H new ATOM 383 N VAL A 28 -2.575 -7.571 10.409 1.00 0.00 N ATOM 384 CA VAL A 28 -3.809 -8.188 10.879 1.00 0.00 C ATOM 385 C VAL A 28 -3.522 -9.471 11.651 1.00 0.00 C ATOM 386 O VAL A 28 -2.552 -10.173 11.368 1.00 0.00 O ATOM 387 CB VAL A 28 -4.758 -8.508 9.709 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.114 -8.960 10.229 1.00 0.00 C ATOM 389 CG2 VAL A 28 -4.904 -7.299 8.797 1.00 0.00 C ATOM 0 H VAL A 28 -2.147 -8.038 9.609 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.290 -7.468 11.541 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.328 -9.324 9.128 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.771 -9.182 9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.990 -9.855 10.838 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.554 -8.167 10.834 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.578 -7.542 7.975 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.311 -6.462 9.365 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.928 -7.025 8.397 1.00 0.00 H new ATOM 467 N GLY A 33 2.038 -11.143 6.155 1.00 0.00 N ATOM 468 CA GLY A 33 2.798 -9.924 5.949 1.00 0.00 C ATOM 469 C GLY A 33 1.963 -8.677 6.163 1.00 0.00 C ATOM 470 O GLY A 33 1.223 -8.577 7.142 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.648 -9.910 6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.202 -9.918 4.937 1.00 0.00 H new ATOM 474 N VAL A 34 2.082 -7.722 5.246 1.00 0.00 N ATOM 475 CA VAL A 34 1.333 -6.475 5.339 1.00 0.00 C ATOM 476 C VAL A 34 0.706 -6.109 3.998 1.00 0.00 C ATOM 477 O VAL A 34 1.088 -6.642 2.956 1.00 0.00 O ATOM 478 CB VAL A 34 2.230 -5.314 5.807 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.576 -5.467 7.281 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.492 -5.241 4.960 1.00 0.00 C ATOM 0 H VAL A 34 2.690 -7.788 4.430 1.00 0.00 H new ATOM 0 HA VAL A 34 0.545 -6.634 6.075 1.00 0.00 H new ATOM 0 HB VAL A 34 1.681 -4.381 5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.210 -4.638 7.594 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.660 -5.466 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.106 -6.407 7.435 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.114 -4.415 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.046 -6.175 5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.221 -5.080 3.917 1.00 0.00 H new ATOM 490 N TYR A 35 -0.259 -5.196 4.032 1.00 0.00 N ATOM 491 CA TYR A 35 -0.941 -4.760 2.819 1.00 0.00 C ATOM 492 C TYR A 35 -1.526 -3.362 2.997 1.00 0.00 C ATOM 493 O TYR A 35 -1.925 -2.979 4.096 1.00 0.00 O ATOM 494 CB TYR A 35 -2.050 -5.746 2.450 1.00 0.00 C ATOM 495 CG TYR A 35 -3.192 -5.771 3.440 1.00 0.00 C ATOM 496 CD1 TYR A 35 -4.019 -4.667 3.605 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.445 -6.900 4.210 1.00 0.00 C ATOM 498 CE1 TYR A 35 -5.064 -4.686 4.509 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.488 -6.928 5.115 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.294 -5.818 5.261 1.00 0.00 C ATOM 501 OH TYR A 35 -6.335 -5.841 6.162 1.00 0.00 O ATOM 0 H TYR A 35 -0.586 -4.744 4.886 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.209 -4.728 2.012 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.440 -5.489 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.624 -6.747 2.374 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.842 -3.779 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.815 -7.770 4.099 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.697 -3.819 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.672 -7.814 5.705 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.672 -6.757 6.249 1.00 0.00 H new ATOM 511 N MET A 36 -1.573 -2.605 1.905 1.00 0.00 N ATOM 512 CA MET A 36 -2.111 -1.250 1.938 1.00 0.00 C ATOM 513 C MET A 36 -3.566 -1.253 2.399 1.00 0.00 C ATOM 514 O MET A 36 -4.395 -1.992 1.866 1.00 0.00 O ATOM 515 CB MET A 36 -2.003 -0.601 0.557 1.00 0.00 C ATOM 516 CG MET A 36 -0.600 -0.644 -0.026 1.00 0.00 C ATOM 517 SD MET A 36 0.608 0.211 1.005 1.00 0.00 S ATOM 518 CE MET A 36 1.959 0.412 -0.154 1.00 0.00 C ATOM 0 H MET A 36 -1.245 -2.907 0.987 1.00 0.00 H new ATOM 0 HA MET A 36 -1.524 -0.671 2.650 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.687 -1.104 -0.126 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.327 0.437 0.626 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.295 -1.683 -0.151 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.609 -0.193 -1.018 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.908 0.322 0.374 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.897 -0.359 -0.922 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.895 1.395 -0.620 1.00 0.00 H new ATOM 528 N THR A 37 -3.869 -0.424 3.392 1.00 0.00 N ATOM 529 CA THR A 37 -5.223 -0.333 3.925 1.00 0.00 C ATOM 530 C THR A 37 -5.804 1.061 3.716 1.00 0.00 C ATOM 531 O THR A 37 -6.973 1.209 3.359 1.00 0.00 O ATOM 532 CB THR A 37 -5.259 -0.671 5.427 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.615 -0.729 5.884 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.491 0.364 6.234 1.00 0.00 C ATOM 0 H THR A 37 -3.195 0.194 3.844 1.00 0.00 H new ATOM 0 HA THR A 37 -5.826 -1.060 3.381 1.00 0.00 H new ATOM 0 HB THR A 37 -4.786 -1.643 5.569 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.629 -0.946 6.840 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.531 0.104 7.292 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.452 0.385 5.904 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.939 1.347 6.085 1.00 0.00 H new ATOM 542 N ASP A 38 -4.980 2.079 3.938 1.00 0.00 N ATOM 543 CA ASP A 38 -5.412 3.462 3.772 1.00 0.00 C ATOM 544 C ASP A 38 -4.626 4.147 2.659 1.00 0.00 C ATOM 545 O ASP A 38 -3.410 4.316 2.758 1.00 0.00 O ATOM 546 CB ASP A 38 -5.242 4.233 5.082 1.00 0.00 C ATOM 547 CG ASP A 38 -6.137 5.454 5.156 1.00 0.00 C ATOM 548 OD1 ASP A 38 -7.284 5.321 5.632 1.00 0.00 O ATOM 549 OD2 ASP A 38 -5.692 6.543 4.737 1.00 0.00 O ATOM 0 H ASP A 38 -4.009 1.973 4.233 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.467 3.456 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.464 3.572 5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.202 4.542 5.186 1.00 0.00 H new ATOM 554 N ILE A 39 -5.327 4.538 1.600 1.00 0.00 N ATOM 555 CA ILE A 39 -4.694 5.204 0.469 1.00 0.00 C ATOM 556 C ILE A 39 -5.061 6.683 0.426 1.00 0.00 C ATOM 557 O ILE A 39 -6.044 7.074 -0.205 1.00 0.00 O ATOM 558 CB ILE A 39 -5.095 4.549 -0.866 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.739 3.061 -0.856 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.412 5.254 -2.029 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.253 2.795 -0.766 1.00 0.00 C ATOM 0 H ILE A 39 -6.334 4.405 1.502 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.617 5.103 0.606 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.174 4.645 -0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.237 2.582 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.129 2.597 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.706 4.779 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.710 6.302 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.331 5.186 -1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.075 1.720 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.750 3.244 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.861 3.230 0.153 1.00 0.00 H new ATOM 573 N THR A 40 -4.263 7.505 1.101 1.00 0.00 N ATOM 574 CA THR A 40 -4.502 8.942 1.140 1.00 0.00 C ATOM 575 C THR A 40 -5.001 9.454 -0.207 1.00 0.00 C ATOM 576 O THR A 40 -4.394 9.215 -1.251 1.00 0.00 O ATOM 577 CB THR A 40 -3.227 9.714 1.530 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.841 9.377 2.867 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.449 11.215 1.423 1.00 0.00 C ATOM 0 H THR A 40 -3.445 7.199 1.628 1.00 0.00 H new ATOM 0 HA THR A 40 -5.267 9.114 1.897 1.00 0.00 H new ATOM 0 HB THR A 40 -2.432 9.431 0.840 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.178 8.655 2.844 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.535 11.739 1.703 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.714 11.471 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.257 11.512 2.092 1.00 0.00 H new ATOM 587 N PRO A 41 -6.131 10.175 -0.185 1.00 0.00 N ATOM 588 CA PRO A 41 -6.735 10.737 -1.397 1.00 0.00 C ATOM 589 C PRO A 41 -5.905 11.873 -1.985 1.00 0.00 C ATOM 590 O PRO A 41 -5.400 12.726 -1.256 1.00 0.00 O ATOM 591 CB PRO A 41 -8.088 11.260 -0.909 1.00 0.00 C ATOM 592 CG PRO A 41 -7.889 11.530 0.542 1.00 0.00 C ATOM 593 CD PRO A 41 -6.906 10.499 1.024 1.00 0.00 C ATOM 0 HA PRO A 41 -6.811 9.998 -2.195 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.379 12.164 -1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.878 10.526 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.507 12.538 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.831 11.455 1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.269 10.891 1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.410 9.620 1.426 1.00 0.00 H new ATOM 601 N GLN A 42 -5.769 11.877 -3.308 1.00 0.00 N ATOM 602 CA GLN A 42 -4.999 12.909 -3.993 1.00 0.00 C ATOM 603 C GLN A 42 -3.578 12.981 -3.446 1.00 0.00 C ATOM 604 O GLN A 42 -3.009 14.063 -3.307 1.00 0.00 O ATOM 605 CB GLN A 42 -5.685 14.268 -3.845 1.00 0.00 C ATOM 606 CG GLN A 42 -6.844 14.473 -4.807 1.00 0.00 C ATOM 607 CD GLN A 42 -6.404 14.490 -6.257 1.00 0.00 C ATOM 608 OE1 GLN A 42 -5.408 15.124 -6.607 1.00 0.00 O ATOM 609 NE2 GLN A 42 -7.145 13.793 -7.110 1.00 0.00 N ATOM 0 H GLN A 42 -6.182 11.178 -3.926 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.948 12.648 -5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.049 14.372 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.949 15.056 -4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.576 13.678 -4.663 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.344 15.413 -4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.962 13.282 -6.776 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.897 13.768 -8.099 1.00 0.00 H new ATOM 618 N GLY A 43 -3.008 11.820 -3.136 1.00 0.00 N ATOM 619 CA GLY A 43 -1.658 11.774 -2.607 1.00 0.00 C ATOM 620 C GLY A 43 -0.692 11.076 -3.544 1.00 0.00 C ATOM 621 O GLY A 43 -0.975 10.912 -4.730 1.00 0.00 O ATOM 0 H GLY A 43 -3.458 10.911 -3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.309 12.790 -2.421 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.665 11.258 -1.647 1.00 0.00 H new ATOM 625 N VAL A 44 0.455 10.666 -3.011 1.00 0.00 N ATOM 626 CA VAL A 44 1.467 9.982 -3.807 1.00 0.00 C ATOM 627 C VAL A 44 0.984 8.604 -4.244 1.00 0.00 C ATOM 628 O VAL A 44 1.163 8.208 -5.395 1.00 0.00 O ATOM 629 CB VAL A 44 2.786 9.829 -3.027 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.819 9.091 -3.865 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.311 11.190 -2.597 1.00 0.00 C ATOM 0 H VAL A 44 0.706 10.796 -2.031 1.00 0.00 H new ATOM 0 HA VAL A 44 1.645 10.597 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 44 2.592 9.240 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.744 8.992 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.441 8.100 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.012 9.651 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.244 11.063 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.490 11.806 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.576 11.678 -1.957 1.00 0.00 H new ATOM 641 N ALA A 45 0.370 7.877 -3.316 1.00 0.00 N ATOM 642 CA ALA A 45 -0.141 6.543 -3.605 1.00 0.00 C ATOM 643 C ALA A 45 -1.327 6.605 -4.561 1.00 0.00 C ATOM 644 O ALA A 45 -1.282 6.049 -5.658 1.00 0.00 O ATOM 645 CB ALA A 45 -0.536 5.838 -2.316 1.00 0.00 C ATOM 0 H ALA A 45 0.215 8.190 -2.358 1.00 0.00 H new ATOM 0 HA ALA A 45 0.653 5.974 -4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.916 4.843 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.335 5.752 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.311 6.413 -1.809 1.00 0.00 H new ATOM 651 N MET A 46 -2.388 7.284 -4.137 1.00 0.00 N ATOM 652 CA MET A 46 -3.587 7.419 -4.957 1.00 0.00 C ATOM 653 C MET A 46 -3.227 7.818 -6.384 1.00 0.00 C ATOM 654 O MET A 46 -3.998 7.589 -7.316 1.00 0.00 O ATOM 655 CB MET A 46 -4.533 8.455 -4.348 1.00 0.00 C ATOM 656 CG MET A 46 -5.923 8.443 -4.962 1.00 0.00 C ATOM 657 SD MET A 46 -6.862 6.966 -4.530 1.00 0.00 S ATOM 658 CE MET A 46 -7.798 7.560 -3.123 1.00 0.00 C ATOM 0 H MET A 46 -2.442 7.749 -3.231 1.00 0.00 H new ATOM 0 HA MET A 46 -4.089 6.452 -4.985 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.616 8.273 -3.276 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.099 9.447 -4.470 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.470 9.326 -4.631 1.00 0.00 H new ATOM 0 HG3 MET A 46 -5.837 8.510 -6.047 1.00 0.00 H new ATOM 0 HE1 MET A 46 -8.531 6.808 -2.830 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.121 7.751 -2.290 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.312 8.483 -3.391 1.00 0.00 H new ATOM 668 N ARG A 47 -2.052 8.418 -6.548 1.00 0.00 N ATOM 669 CA ARG A 47 -1.592 8.850 -7.862 1.00 0.00 C ATOM 670 C ARG A 47 -0.883 7.713 -8.591 1.00 0.00 C ATOM 671 O ARG A 47 -0.988 7.584 -9.811 1.00 0.00 O ATOM 672 CB ARG A 47 -0.650 10.049 -7.727 1.00 0.00 C ATOM 673 CG ARG A 47 -0.259 10.669 -9.058 1.00 0.00 C ATOM 674 CD ARG A 47 0.994 10.021 -9.627 1.00 0.00 C ATOM 675 NE ARG A 47 1.565 10.801 -10.721 1.00 0.00 N ATOM 676 CZ ARG A 47 1.001 10.911 -11.919 1.00 0.00 C ATOM 677 NH1 ARG A 47 -0.143 10.293 -12.175 1.00 0.00 N ATOM 678 NH2 ARG A 47 1.583 11.640 -12.863 1.00 0.00 N ATOM 0 H ARG A 47 -1.402 8.616 -5.787 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.464 9.145 -8.446 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.129 10.808 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.253 9.734 -7.203 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.080 10.560 -9.767 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.090 11.738 -8.927 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.735 9.909 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.754 9.019 -9.983 1.00 0.00 H new ATOM 0 HE ARG A 47 2.446 11.289 -10.557 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.592 9.732 -11.452 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.574 10.379 -13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.464 12.116 -12.669 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.149 11.724 -13.782 1.00 0.00 H new ATOM 692 N ALA A 48 -0.161 6.892 -7.836 1.00 0.00 N ATOM 693 CA ALA A 48 0.564 5.765 -8.410 1.00 0.00 C ATOM 694 C ALA A 48 -0.397 4.714 -8.954 1.00 0.00 C ATOM 695 O ALA A 48 0.006 3.806 -9.680 1.00 0.00 O ATOM 696 CB ALA A 48 1.490 5.149 -7.372 1.00 0.00 C ATOM 0 H ALA A 48 -0.062 6.986 -6.825 1.00 0.00 H new ATOM 0 HA ALA A 48 1.164 6.136 -9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.025 4.309 -7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.206 5.898 -7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.903 4.799 -6.523 1.00 0.00 H new ATOM 702 N GLY A 49 -1.672 4.842 -8.598 1.00 0.00 N ATOM 703 CA GLY A 49 -2.670 3.896 -9.059 1.00 0.00 C ATOM 704 C GLY A 49 -2.756 2.667 -8.175 1.00 0.00 C ATOM 705 O GLY A 49 -3.016 1.564 -8.657 1.00 0.00 O ATOM 0 H GLY A 49 -2.031 5.585 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.643 4.386 -9.091 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.433 3.591 -10.078 1.00 0.00 H new ATOM 709 N VAL A 50 -2.536 2.856 -6.878 1.00 0.00 N ATOM 710 CA VAL A 50 -2.589 1.754 -5.925 1.00 0.00 C ATOM 711 C VAL A 50 -3.886 1.783 -5.124 1.00 0.00 C ATOM 712 O VAL A 50 -4.262 2.816 -4.567 1.00 0.00 O ATOM 713 CB VAL A 50 -1.396 1.796 -4.952 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.333 3.139 -4.242 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.488 0.656 -3.948 1.00 0.00 C ATOM 0 H VAL A 50 -2.319 3.762 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.543 0.832 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.477 1.672 -5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.484 3.150 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.217 3.935 -4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.253 3.297 -3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.637 0.700 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.413 0.747 -3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.480 -0.297 -4.477 1.00 0.00 H new ATOM 725 N LEU A 51 -4.566 0.643 -5.068 1.00 0.00 N ATOM 726 CA LEU A 51 -5.822 0.537 -4.333 1.00 0.00 C ATOM 727 C LEU A 51 -5.573 0.116 -2.888 1.00 0.00 C ATOM 728 O LEU A 51 -4.463 -0.273 -2.527 1.00 0.00 O ATOM 729 CB LEU A 51 -6.751 -0.468 -5.016 1.00 0.00 C ATOM 730 CG LEU A 51 -7.570 0.067 -6.191 1.00 0.00 C ATOM 731 CD1 LEU A 51 -8.065 -1.078 -7.063 1.00 0.00 C ATOM 732 CD2 LEU A 51 -8.740 0.901 -5.690 1.00 0.00 C ATOM 0 H LEU A 51 -4.269 -0.221 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.297 1.518 -4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.150 -1.306 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.440 -0.862 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.926 0.706 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.646 -0.678 -7.894 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.212 -1.635 -7.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.692 -1.743 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.312 1.274 -6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.383 0.285 -5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.364 1.743 -5.109 1.00 0.00 H new ATOM 744 N ALA A 52 -6.615 0.195 -2.067 1.00 0.00 N ATOM 745 CA ALA A 52 -6.511 -0.181 -0.663 1.00 0.00 C ATOM 746 C ALA A 52 -6.683 -1.686 -0.484 1.00 0.00 C ATOM 747 O ALA A 52 -6.911 -2.414 -1.450 1.00 0.00 O ATOM 748 CB ALA A 52 -7.542 0.572 0.164 1.00 0.00 C ATOM 0 H ALA A 52 -7.541 0.516 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.515 0.089 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.452 0.281 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.371 1.644 0.070 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.543 0.331 -0.195 1.00 0.00 H new ATOM 754 N ASP A 53 -6.573 -2.146 0.758 1.00 0.00 N ATOM 755 CA ASP A 53 -6.717 -3.564 1.064 1.00 0.00 C ATOM 756 C ASP A 53 -6.046 -4.421 -0.005 1.00 0.00 C ATOM 757 O ASP A 53 -6.450 -5.559 -0.246 1.00 0.00 O ATOM 758 CB ASP A 53 -8.196 -3.935 1.178 1.00 0.00 C ATOM 759 CG ASP A 53 -8.827 -3.412 2.453 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.081 -3.144 3.419 1.00 0.00 O ATOM 761 OD2 ASP A 53 -10.067 -3.269 2.486 1.00 0.00 O ATOM 0 H ASP A 53 -6.385 -1.557 1.569 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.228 -3.756 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.735 -3.536 0.319 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.299 -5.020 1.143 1.00 0.00 H new ATOM 766 N ASP A 54 -5.021 -3.867 -0.643 1.00 0.00 N ATOM 767 CA ASP A 54 -4.293 -4.581 -1.686 1.00 0.00 C ATOM 768 C ASP A 54 -3.104 -5.336 -1.100 1.00 0.00 C ATOM 769 O ASP A 54 -2.127 -4.730 -0.660 1.00 0.00 O ATOM 770 CB ASP A 54 -3.814 -3.605 -2.762 1.00 0.00 C ATOM 771 CG ASP A 54 -4.840 -3.405 -3.860 1.00 0.00 C ATOM 772 OD1 ASP A 54 -6.035 -3.663 -3.609 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.446 -2.990 -4.971 1.00 0.00 O ATOM 0 H ASP A 54 -4.675 -2.926 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.971 -5.304 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.587 -2.644 -2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.887 -3.976 -3.198 1.00 0.00 H new ATOM 778 N HIS A 55 -3.195 -6.662 -1.097 1.00 0.00 N ATOM 779 CA HIS A 55 -2.127 -7.500 -0.565 1.00 0.00 C ATOM 780 C HIS A 55 -0.783 -7.124 -1.182 1.00 0.00 C ATOM 781 O HIS A 55 -0.562 -7.315 -2.378 1.00 0.00 O ATOM 782 CB HIS A 55 -2.427 -8.976 -0.829 1.00 0.00 C ATOM 783 CG HIS A 55 -1.749 -9.906 0.129 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.158 -11.207 0.331 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.683 -9.718 0.940 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.374 -11.779 1.227 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.470 -10.897 1.613 1.00 0.00 N ATOM 0 H HIS A 55 -3.997 -7.179 -1.457 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.072 -7.335 0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.504 -9.134 -0.775 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.118 -9.225 -1.844 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.107 -8.810 1.040 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.458 -12.795 1.583 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.266 -11.064 2.299 1.00 0.00 H new ATOM 796 N LEU A 56 0.112 -6.589 -0.358 1.00 0.00 N ATOM 797 CA LEU A 56 1.434 -6.185 -0.823 1.00 0.00 C ATOM 798 C LEU A 56 2.259 -7.399 -1.238 1.00 0.00 C ATOM 799 O LEU A 56 2.365 -8.374 -0.494 1.00 0.00 O ATOM 800 CB LEU A 56 2.166 -5.408 0.273 1.00 0.00 C ATOM 801 CG LEU A 56 3.140 -4.331 -0.205 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.432 -2.992 -0.339 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.321 -4.219 0.749 1.00 0.00 C ATOM 0 H LEU A 56 -0.054 -6.425 0.635 1.00 0.00 H new ATOM 0 HA LEU A 56 1.305 -5.541 -1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.422 -4.937 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.716 -6.119 0.889 1.00 0.00 H new ATOM 0 HG LEU A 56 3.517 -4.619 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.141 -2.238 -0.680 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.621 -3.080 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.026 -2.697 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.004 -3.448 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.962 -3.955 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.844 -5.174 0.794 1.00 0.00 H new ATOM 815 N ILE A 57 2.843 -7.331 -2.430 1.00 0.00 N ATOM 816 CA ILE A 57 3.661 -8.423 -2.943 1.00 0.00 C ATOM 817 C ILE A 57 5.137 -8.197 -2.631 1.00 0.00 C ATOM 818 O ILE A 57 5.804 -9.070 -2.076 1.00 0.00 O ATOM 819 CB ILE A 57 3.489 -8.589 -4.464 1.00 0.00 C ATOM 820 CG1 ILE A 57 2.013 -8.792 -4.813 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.323 -9.758 -4.967 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.519 -10.199 -4.557 1.00 0.00 C ATOM 0 H ILE A 57 2.765 -6.531 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 57 3.322 -9.332 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 57 3.838 -7.681 -4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.411 -8.093 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.860 -8.547 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.191 -9.863 -6.044 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.375 -9.576 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.002 -10.674 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.465 -10.269 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.095 -10.902 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.640 -10.441 -3.501 1.00 0.00 H new ATOM 834 N GLU A 58 5.639 -7.020 -2.992 1.00 0.00 N ATOM 835 CA GLU A 58 7.036 -6.680 -2.749 1.00 0.00 C ATOM 836 C GLU A 58 7.215 -5.169 -2.630 1.00 0.00 C ATOM 837 O GLU A 58 6.262 -4.406 -2.782 1.00 0.00 O ATOM 838 CB GLU A 58 7.919 -7.222 -3.876 1.00 0.00 C ATOM 839 CG GLU A 58 7.631 -6.596 -5.230 1.00 0.00 C ATOM 840 CD GLU A 58 8.707 -6.899 -6.254 1.00 0.00 C ATOM 841 OE1 GLU A 58 9.145 -8.066 -6.327 1.00 0.00 O ATOM 842 OE2 GLU A 58 9.112 -5.969 -6.982 1.00 0.00 O ATOM 0 H GLU A 58 5.100 -6.287 -3.453 1.00 0.00 H new ATOM 0 HA GLU A 58 7.337 -7.140 -1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.965 -7.051 -3.621 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.781 -8.301 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.672 -6.960 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.539 -5.516 -5.114 1.00 0.00 H new ATOM 849 N VAL A 59 8.445 -4.745 -2.356 1.00 0.00 N ATOM 850 CA VAL A 59 8.751 -3.326 -2.216 1.00 0.00 C ATOM 851 C VAL A 59 10.122 -3.000 -2.797 1.00 0.00 C ATOM 852 O VAL A 59 11.110 -3.669 -2.496 1.00 0.00 O ATOM 853 CB VAL A 59 8.712 -2.887 -0.741 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.964 -1.391 -0.622 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.381 -3.263 -0.107 1.00 0.00 C ATOM 0 H VAL A 59 9.245 -5.364 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 59 7.987 -2.781 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 59 9.504 -3.409 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.933 -1.099 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.944 -1.153 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.196 -0.848 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.372 -2.945 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.570 -2.771 -0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.246 -4.343 -0.158 1.00 0.00 H new ATOM 865 N ASN A 60 10.174 -1.967 -3.632 1.00 0.00 N ATOM 866 CA ASN A 60 11.425 -1.551 -4.255 1.00 0.00 C ATOM 867 C ASN A 60 12.211 -2.759 -4.758 1.00 0.00 C ATOM 868 O ASN A 60 13.440 -2.746 -4.784 1.00 0.00 O ATOM 869 CB ASN A 60 12.274 -0.754 -3.263 1.00 0.00 C ATOM 870 CG ASN A 60 12.713 -1.589 -2.076 1.00 0.00 C ATOM 871 OD1 ASN A 60 13.373 -2.616 -2.235 1.00 0.00 O ATOM 872 ND2 ASN A 60 12.347 -1.152 -0.877 1.00 0.00 N ATOM 0 H ASN A 60 9.365 -1.403 -3.892 1.00 0.00 H new ATOM 0 HA ASN A 60 11.183 -0.916 -5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.154 -0.363 -3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.704 0.105 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.613 -1.673 -0.041 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.800 -0.295 -0.792 1.00 0.00 H new ATOM 879 N GLY A 61 11.490 -3.803 -5.156 1.00 0.00 N ATOM 880 CA GLY A 61 12.135 -5.004 -5.653 1.00 0.00 C ATOM 881 C GLY A 61 12.498 -5.969 -4.541 1.00 0.00 C ATOM 882 O GLY A 61 13.576 -6.563 -4.555 1.00 0.00 O ATOM 0 H GLY A 61 10.471 -3.838 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.472 -5.502 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.037 -4.729 -6.200 1.00 0.00 H new ATOM 886 N GLU A 62 11.598 -6.123 -3.576 1.00 0.00 N ATOM 887 CA GLU A 62 11.831 -7.021 -2.451 1.00 0.00 C ATOM 888 C GLU A 62 10.530 -7.678 -1.999 1.00 0.00 C ATOM 889 O GLU A 62 9.636 -7.013 -1.476 1.00 0.00 O ATOM 890 CB GLU A 62 12.462 -6.259 -1.284 1.00 0.00 C ATOM 891 CG GLU A 62 13.943 -5.977 -1.471 1.00 0.00 C ATOM 892 CD GLU A 62 14.814 -7.164 -1.107 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.716 -8.203 -1.794 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.592 -7.055 -0.137 1.00 0.00 O ATOM 0 H GLU A 62 10.701 -5.638 -3.550 1.00 0.00 H new ATOM 0 HA GLU A 62 12.517 -7.802 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.935 -5.314 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.323 -6.834 -0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 62 14.128 -5.700 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.226 -5.122 -0.858 1.00 0.00 H new ATOM 901 N ASN A 63 10.431 -8.987 -2.207 1.00 0.00 N ATOM 902 CA ASN A 63 9.239 -9.734 -1.823 1.00 0.00 C ATOM 903 C ASN A 63 9.000 -9.641 -0.319 1.00 0.00 C ATOM 904 O ASN A 63 9.793 -10.142 0.478 1.00 0.00 O ATOM 905 CB ASN A 63 9.374 -11.200 -2.240 1.00 0.00 C ATOM 906 CG ASN A 63 8.883 -11.446 -3.654 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.667 -11.764 -4.548 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.580 -11.300 -3.861 1.00 0.00 N ATOM 0 H ASN A 63 11.162 -9.552 -2.639 1.00 0.00 H new ATOM 0 HA ASN A 63 8.384 -9.295 -2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.418 -11.502 -2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.810 -11.825 -1.548 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.191 -11.453 -4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.968 -11.035 -3.090 1.00 0.00 H new ATOM 915 N VAL A 64 7.901 -8.997 0.061 1.00 0.00 N ATOM 916 CA VAL A 64 7.556 -8.840 1.469 1.00 0.00 C ATOM 917 C VAL A 64 6.224 -9.511 1.787 1.00 0.00 C ATOM 918 O VAL A 64 5.672 -9.333 2.872 1.00 0.00 O ATOM 919 CB VAL A 64 7.476 -7.354 1.865 1.00 0.00 C ATOM 920 CG1 VAL A 64 8.820 -6.672 1.655 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.383 -6.650 1.074 1.00 0.00 C ATOM 0 H VAL A 64 7.235 -8.576 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 64 8.348 -9.320 2.044 1.00 0.00 H new ATOM 0 HB VAL A 64 7.225 -7.291 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.744 -5.623 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.576 -7.161 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.104 -6.743 0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.340 -5.601 1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.602 -6.721 0.009 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.423 -7.123 1.280 1.00 0.00 H new ATOM 931 N GLU A 65 5.715 -10.284 0.832 1.00 0.00 N ATOM 932 CA GLU A 65 4.447 -10.982 1.011 1.00 0.00 C ATOM 933 C GLU A 65 4.303 -11.491 2.443 1.00 0.00 C ATOM 934 O GLU A 65 3.336 -11.169 3.133 1.00 0.00 O ATOM 935 CB GLU A 65 4.340 -12.151 0.030 1.00 0.00 C ATOM 936 CG GLU A 65 4.744 -11.792 -1.390 1.00 0.00 C ATOM 937 CD GLU A 65 4.057 -12.658 -2.429 1.00 0.00 C ATOM 938 OE1 GLU A 65 2.817 -12.792 -2.362 1.00 0.00 O ATOM 939 OE2 GLU A 65 4.759 -13.202 -3.307 1.00 0.00 O ATOM 0 H GLU A 65 6.160 -10.442 -0.072 1.00 0.00 H new ATOM 0 HA GLU A 65 3.642 -10.275 0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.969 -12.969 0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.314 -12.518 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.504 -10.746 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.824 -11.895 -1.493 1.00 0.00 H new ATOM 946 N ASP A 66 5.272 -12.287 2.881 1.00 0.00 N ATOM 947 CA ASP A 66 5.255 -12.841 4.230 1.00 0.00 C ATOM 948 C ASP A 66 6.350 -12.216 5.088 1.00 0.00 C ATOM 949 O ASP A 66 7.024 -12.907 5.852 1.00 0.00 O ATOM 950 CB ASP A 66 5.430 -14.360 4.183 1.00 0.00 C ATOM 951 CG ASP A 66 6.854 -14.768 3.862 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.268 -14.607 2.695 1.00 0.00 O ATOM 953 OD2 ASP A 66 7.554 -15.251 4.777 1.00 0.00 O ATOM 0 H ASP A 66 6.079 -12.563 2.322 1.00 0.00 H new ATOM 0 HA ASP A 66 4.290 -12.609 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 66 5.141 -14.786 5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.758 -14.777 3.434 1.00 0.00 H new ATOM 958 N ALA A 67 6.523 -10.905 4.955 1.00 0.00 N ATOM 959 CA ALA A 67 7.536 -10.187 5.719 1.00 0.00 C ATOM 960 C ALA A 67 6.898 -9.326 6.804 1.00 0.00 C ATOM 961 O ALA A 67 5.850 -8.719 6.591 1.00 0.00 O ATOM 962 CB ALA A 67 8.385 -9.329 4.793 1.00 0.00 C ATOM 0 H ALA A 67 5.975 -10.319 4.326 1.00 0.00 H new ATOM 0 HA ALA A 67 8.177 -10.922 6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.137 -8.798 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.878 -9.965 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.749 -8.608 4.280 1.00 0.00 H new ATOM 968 N SER A 68 7.538 -9.280 7.968 1.00 0.00 N ATOM 969 CA SER A 68 7.030 -8.497 9.089 1.00 0.00 C ATOM 970 C SER A 68 7.096 -7.004 8.782 1.00 0.00 C ATOM 971 O SER A 68 7.948 -6.552 8.016 1.00 0.00 O ATOM 972 CB SER A 68 7.829 -8.804 10.357 1.00 0.00 C ATOM 973 OG SER A 68 7.029 -8.643 11.515 1.00 0.00 O ATOM 0 H SER A 68 8.409 -9.775 8.160 1.00 0.00 H new ATOM 0 HA SER A 68 5.988 -8.772 9.250 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.209 -9.825 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.694 -8.144 10.414 1.00 0.00 H new ATOM 0 HG SER A 68 7.562 -8.847 12.312 1.00 0.00 H new ATOM 979 N HIS A 69 6.190 -6.242 9.386 1.00 0.00 N ATOM 980 CA HIS A 69 6.144 -4.799 9.179 1.00 0.00 C ATOM 981 C HIS A 69 7.525 -4.178 9.369 1.00 0.00 C ATOM 982 O HIS A 69 7.897 -3.241 8.663 1.00 0.00 O ATOM 983 CB HIS A 69 5.146 -4.155 10.142 1.00 0.00 C ATOM 984 CG HIS A 69 4.678 -2.802 9.704 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.557 -2.188 10.223 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.186 -1.942 8.790 1.00 0.00 C ATOM 987 CE1 HIS A 69 3.396 -1.011 9.647 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.372 -0.837 8.774 1.00 0.00 N ATOM 0 H HIS A 69 5.478 -6.600 10.023 1.00 0.00 H new ATOM 0 HA HIS A 69 5.820 -4.615 8.155 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.283 -4.812 10.250 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.607 -4.070 11.126 1.00 0.00 H new ATOM 0 HD1 HIS A 69 2.948 -2.582 10.940 1.00 0.00 H new ATOM 0 HD2 HIS A 69 6.068 -2.097 8.186 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.601 -0.310 9.854 1.00 0.00 H new ATOM 997 N GLU A 70 8.279 -4.707 10.328 1.00 0.00 N ATOM 998 CA GLU A 70 9.618 -4.203 10.611 1.00 0.00 C ATOM 999 C GLU A 70 10.546 -4.426 9.420 1.00 0.00 C ATOM 1000 O GLU A 70 11.484 -3.661 9.201 1.00 0.00 O ATOM 1001 CB GLU A 70 10.192 -4.887 11.854 1.00 0.00 C ATOM 1002 CG GLU A 70 9.799 -4.210 13.156 1.00 0.00 C ATOM 1003 CD GLU A 70 10.294 -4.962 14.377 1.00 0.00 C ATOM 1004 OE1 GLU A 70 10.491 -6.191 14.278 1.00 0.00 O ATOM 1005 OE2 GLU A 70 10.486 -4.320 15.431 1.00 0.00 O ATOM 0 H GLU A 70 7.986 -5.483 10.921 1.00 0.00 H new ATOM 0 HA GLU A 70 9.544 -3.131 10.796 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.855 -5.923 11.877 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.279 -4.907 11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.201 -3.197 13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.713 -4.123 13.203 1.00 0.00 H new ATOM 1012 N GLU A 71 10.276 -5.479 8.656 1.00 0.00 N ATOM 1013 CA GLU A 71 11.088 -5.803 7.488 1.00 0.00 C ATOM 1014 C GLU A 71 10.778 -4.858 6.331 1.00 0.00 C ATOM 1015 O GLU A 71 11.677 -4.433 5.605 1.00 0.00 O ATOM 1016 CB GLU A 71 10.846 -7.251 7.057 1.00 0.00 C ATOM 1017 CG GLU A 71 11.669 -8.264 7.836 1.00 0.00 C ATOM 1018 CD GLU A 71 13.030 -8.511 7.215 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.985 -7.791 7.572 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.138 -9.426 6.372 1.00 0.00 O ATOM 0 H GLU A 71 9.502 -6.122 8.824 1.00 0.00 H new ATOM 0 HA GLU A 71 12.136 -5.683 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.788 -7.485 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.075 -7.348 5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.799 -7.911 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.122 -9.205 7.891 1.00 0.00 H new ATOM 1027 N VAL A 72 9.500 -4.534 6.165 1.00 0.00 N ATOM 1028 CA VAL A 72 9.070 -3.639 5.097 1.00 0.00 C ATOM 1029 C VAL A 72 9.462 -2.196 5.399 1.00 0.00 C ATOM 1030 O VAL A 72 10.127 -1.542 4.596 1.00 0.00 O ATOM 1031 CB VAL A 72 7.547 -3.712 4.883 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.122 -2.785 3.754 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.117 -5.143 4.600 1.00 0.00 C ATOM 0 H VAL A 72 8.744 -4.878 6.757 1.00 0.00 H new ATOM 0 HA VAL A 72 9.573 -3.966 4.187 1.00 0.00 H new ATOM 0 HB VAL A 72 7.052 -3.383 5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.043 -2.850 3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.395 -1.760 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.623 -3.081 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.038 -5.176 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.618 -5.503 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.386 -5.778 5.444 1.00 0.00 H new ATOM 1043 N VAL A 73 9.045 -1.706 6.562 1.00 0.00 N ATOM 1044 CA VAL A 73 9.353 -0.341 6.971 1.00 0.00 C ATOM 1045 C VAL A 73 10.828 -0.022 6.754 1.00 0.00 C ATOM 1046 O VAL A 73 11.189 1.115 6.450 1.00 0.00 O ATOM 1047 CB VAL A 73 9.001 -0.106 8.451 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.798 -1.043 9.346 1.00 0.00 C ATOM 1049 CG2 VAL A 73 9.247 1.346 8.833 1.00 0.00 C ATOM 0 H VAL A 73 8.493 -2.234 7.238 1.00 0.00 H new ATOM 0 HA VAL A 73 8.746 0.320 6.352 1.00 0.00 H new ATOM 0 HB VAL A 73 7.942 -0.321 8.592 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.535 -0.862 10.388 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.567 -2.077 9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.864 -0.863 9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.993 1.494 9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.298 1.591 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 73 8.627 1.995 8.214 1.00 0.00 H new ATOM 1059 N GLU A 74 11.676 -1.034 6.911 1.00 0.00 N ATOM 1060 CA GLU A 74 13.113 -0.860 6.732 1.00 0.00 C ATOM 1061 C GLU A 74 13.485 -0.898 5.252 1.00 0.00 C ATOM 1062 O GLU A 74 14.426 -0.232 4.820 1.00 0.00 O ATOM 1063 CB GLU A 74 13.879 -1.946 7.490 1.00 0.00 C ATOM 1064 CG GLU A 74 14.214 -1.567 8.923 1.00 0.00 C ATOM 1065 CD GLU A 74 15.070 -2.608 9.617 1.00 0.00 C ATOM 1066 OE1 GLU A 74 16.284 -2.666 9.329 1.00 0.00 O ATOM 1067 OE2 GLU A 74 14.526 -3.366 10.448 1.00 0.00 O ATOM 0 H GLU A 74 11.393 -1.982 7.161 1.00 0.00 H new ATOM 0 HA GLU A 74 13.388 0.115 7.133 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.287 -2.861 7.494 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.803 -2.167 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.736 -0.610 8.929 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.290 -1.429 9.484 1.00 0.00 H new ATOM 1074 N LYS A 75 12.741 -1.684 4.481 1.00 0.00 N ATOM 1075 CA LYS A 75 12.991 -1.810 3.050 1.00 0.00 C ATOM 1076 C LYS A 75 12.580 -0.540 2.312 1.00 0.00 C ATOM 1077 O LYS A 75 13.176 -0.180 1.296 1.00 0.00 O ATOM 1078 CB LYS A 75 12.230 -3.011 2.483 1.00 0.00 C ATOM 1079 CG LYS A 75 12.856 -4.349 2.836 1.00 0.00 C ATOM 1080 CD LYS A 75 11.838 -5.475 2.769 1.00 0.00 C ATOM 1081 CE LYS A 75 12.512 -6.823 2.561 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.151 -7.323 3.809 1.00 0.00 N ATOM 0 H LYS A 75 11.960 -2.243 4.823 1.00 0.00 H new ATOM 0 HA LYS A 75 14.060 -1.963 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.205 -2.989 2.854 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.178 -2.918 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.678 -4.559 2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.281 -4.300 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.256 -5.496 3.690 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.139 -5.287 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.775 -7.548 2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.265 -6.735 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.912 -7.989 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.548 -6.522 4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.440 -7.808 4.393 1.00 0.00 H new ATOM 1096 N VAL A 76 11.560 0.136 2.829 1.00 0.00 N ATOM 1097 CA VAL A 76 11.071 1.368 2.221 1.00 0.00 C ATOM 1098 C VAL A 76 12.034 2.523 2.470 1.00 0.00 C ATOM 1099 O VAL A 76 12.356 3.286 1.558 1.00 0.00 O ATOM 1100 CB VAL A 76 9.680 1.748 2.761 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.229 3.081 2.185 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.670 0.654 2.448 1.00 0.00 C ATOM 0 H VAL A 76 11.055 -0.149 3.668 1.00 0.00 H new ATOM 0 HA VAL A 76 10.998 1.184 1.149 1.00 0.00 H new ATOM 0 HB VAL A 76 9.746 1.851 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.244 3.333 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.941 3.858 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.179 3.009 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.692 0.939 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.605 0.517 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.988 -0.279 2.914 1.00 0.00 H new ATOM 1112 N LYS A 77 12.492 2.648 3.711 1.00 0.00 N ATOM 1113 CA LYS A 77 13.420 3.709 4.082 1.00 0.00 C ATOM 1114 C LYS A 77 14.763 3.526 3.383 1.00 0.00 C ATOM 1115 O LYS A 77 15.265 4.442 2.731 1.00 0.00 O ATOM 1116 CB LYS A 77 13.622 3.731 5.599 1.00 0.00 C ATOM 1117 CG LYS A 77 12.351 4.025 6.377 1.00 0.00 C ATOM 1118 CD LYS A 77 12.505 3.677 7.848 1.00 0.00 C ATOM 1119 CE LYS A 77 11.470 4.394 8.702 1.00 0.00 C ATOM 1120 NZ LYS A 77 11.686 5.867 8.716 1.00 0.00 N ATOM 0 H LYS A 77 12.235 2.026 4.478 1.00 0.00 H new ATOM 0 HA LYS A 77 12.991 4.660 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.019 2.767 5.918 1.00 0.00 H new ATOM 0 HB3 LYS A 77 14.372 4.482 5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.098 5.080 6.276 1.00 0.00 H new ATOM 0 HG3 LYS A 77 11.524 3.457 5.952 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.404 2.600 7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 77 13.506 3.947 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.472 4.177 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.512 4.011 9.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.250 6.274 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.706 6.068 8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.253 6.289 7.870 1.00 0.00 H new ATOM 1134 N LYS A 78 15.340 2.337 3.521 1.00 0.00 N ATOM 1135 CA LYS A 78 16.624 2.033 2.901 1.00 0.00 C ATOM 1136 C LYS A 78 16.568 2.263 1.394 1.00 0.00 C ATOM 1137 O LYS A 78 17.488 2.835 0.809 1.00 0.00 O ATOM 1138 CB LYS A 78 17.024 0.584 3.192 1.00 0.00 C ATOM 1139 CG LYS A 78 17.478 0.355 4.623 1.00 0.00 C ATOM 1140 CD LYS A 78 18.288 -0.924 4.753 1.00 0.00 C ATOM 1141 CE LYS A 78 17.416 -2.157 4.573 1.00 0.00 C ATOM 1142 NZ LYS A 78 17.270 -2.529 3.138 1.00 0.00 N ATOM 0 H LYS A 78 14.938 1.568 4.057 1.00 0.00 H new ATOM 0 HA LYS A 78 17.372 2.702 3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 78 16.177 -0.068 2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.827 0.294 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 78 18.078 1.202 4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.608 0.304 5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 78 19.084 -0.929 4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.766 -0.955 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.850 -2.992 5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.431 -1.971 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.274 -2.435 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.857 -1.899 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.577 -3.513 3.002 1.00 0.00 H new ATOM 1156 N SER A 79 15.483 1.813 0.771 1.00 0.00 N ATOM 1157 CA SER A 79 15.309 1.968 -0.668 1.00 0.00 C ATOM 1158 C SER A 79 15.925 3.278 -1.152 1.00 0.00 C ATOM 1159 O SER A 79 16.604 3.316 -2.177 1.00 0.00 O ATOM 1160 CB SER A 79 13.823 1.925 -1.031 1.00 0.00 C ATOM 1161 OG SER A 79 13.644 1.749 -2.426 1.00 0.00 O ATOM 0 H SER A 79 14.712 1.338 1.240 1.00 0.00 H new ATOM 0 HA SER A 79 15.820 1.142 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.337 1.111 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.341 2.849 -0.713 1.00 0.00 H new ATOM 0 HG SER A 79 13.335 2.589 -2.825 1.00 0.00 H new ATOM 1167 N GLY A 80 15.681 4.351 -0.406 1.00 0.00 N ATOM 1168 CA GLY A 80 16.218 5.648 -0.773 1.00 0.00 C ATOM 1169 C GLY A 80 15.142 6.710 -0.885 1.00 0.00 C ATOM 1170 O GLY A 80 14.574 7.136 0.120 1.00 0.00 O ATOM 0 H GLY A 80 15.121 4.345 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.953 5.957 -0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.742 5.565 -1.725 1.00 0.00 H new ATOM 1174 N SER A 81 14.862 7.140 -2.112 1.00 0.00 N ATOM 1175 CA SER A 81 13.851 8.163 -2.351 1.00 0.00 C ATOM 1176 C SER A 81 12.637 7.571 -3.061 1.00 0.00 C ATOM 1177 O SER A 81 11.495 7.884 -2.726 1.00 0.00 O ATOM 1178 CB SER A 81 14.437 9.304 -3.184 1.00 0.00 C ATOM 1179 OG SER A 81 15.551 9.891 -2.532 1.00 0.00 O ATOM 0 H SER A 81 15.321 6.796 -2.955 1.00 0.00 H new ATOM 0 HA SER A 81 13.530 8.555 -1.386 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.740 8.927 -4.161 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.673 10.061 -3.358 1.00 0.00 H new ATOM 0 HG SER A 81 15.909 10.617 -3.085 1.00 0.00 H new ATOM 1185 N ARG A 82 12.894 6.715 -4.045 1.00 0.00 N ATOM 1186 CA ARG A 82 11.824 6.080 -4.804 1.00 0.00 C ATOM 1187 C ARG A 82 11.724 4.596 -4.466 1.00 0.00 C ATOM 1188 O ARG A 82 12.726 3.948 -4.161 1.00 0.00 O ATOM 1189 CB ARG A 82 12.060 6.257 -6.305 1.00 0.00 C ATOM 1190 CG ARG A 82 12.330 7.696 -6.714 1.00 0.00 C ATOM 1191 CD ARG A 82 13.077 7.769 -8.036 1.00 0.00 C ATOM 1192 NE ARG A 82 14.497 7.466 -7.880 1.00 0.00 N ATOM 1193 CZ ARG A 82 15.272 7.042 -8.872 1.00 0.00 C ATOM 1194 NH1 ARG A 82 14.766 6.871 -10.086 1.00 0.00 N ATOM 1195 NH2 ARG A 82 16.555 6.787 -8.651 1.00 0.00 N ATOM 0 H ARG A 82 13.834 6.446 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 82 10.885 6.561 -4.531 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.905 5.638 -6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.188 5.892 -6.847 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.386 8.235 -6.798 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.912 8.193 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.632 7.068 -8.743 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.964 8.766 -8.462 1.00 0.00 H new ATOM 0 HE ARG A 82 14.917 7.587 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.780 7.065 -10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 82 15.363 6.545 -10.846 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.947 6.916 -7.718 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.149 6.461 -9.414 1.00 0.00 H new ATOM 1209 N VAL A 83 10.508 4.062 -4.521 1.00 0.00 N ATOM 1210 CA VAL A 83 10.276 2.654 -4.221 1.00 0.00 C ATOM 1211 C VAL A 83 9.344 2.019 -5.247 1.00 0.00 C ATOM 1212 O VAL A 83 8.734 2.714 -6.059 1.00 0.00 O ATOM 1213 CB VAL A 83 9.675 2.471 -2.815 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.708 2.793 -1.746 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.436 3.338 -2.649 1.00 0.00 C ATOM 0 H VAL A 83 9.668 4.584 -4.771 1.00 0.00 H new ATOM 0 HA VAL A 83 11.246 2.159 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 83 9.380 1.428 -2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.265 2.658 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.563 2.126 -1.854 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.037 3.826 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.024 3.196 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.704 4.386 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.691 3.054 -3.392 1.00 0.00 H new ATOM 1225 N MET A 84 9.239 0.695 -5.204 1.00 0.00 N ATOM 1226 CA MET A 84 8.379 -0.033 -6.129 1.00 0.00 C ATOM 1227 C MET A 84 7.436 -0.966 -5.376 1.00 0.00 C ATOM 1228 O MET A 84 7.857 -1.994 -4.844 1.00 0.00 O ATOM 1229 CB MET A 84 9.225 -0.836 -7.120 1.00 0.00 C ATOM 1230 CG MET A 84 8.407 -1.757 -8.010 1.00 0.00 C ATOM 1231 SD MET A 84 9.426 -2.952 -8.896 1.00 0.00 S ATOM 1232 CE MET A 84 10.620 -1.868 -9.675 1.00 0.00 C ATOM 0 H MET A 84 9.739 0.105 -4.539 1.00 0.00 H new ATOM 0 HA MET A 84 7.780 0.694 -6.678 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.789 -0.145 -7.747 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.952 -1.430 -6.566 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.676 -2.289 -7.401 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.848 -1.158 -8.729 1.00 0.00 H new ATOM 0 HE1 MET A 84 11.172 -2.421 -10.435 1.00 0.00 H new ATOM 0 HE2 MET A 84 10.101 -1.030 -10.141 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.314 -1.492 -8.924 1.00 0.00 H new ATOM 1242 N PHE A 85 6.159 -0.601 -5.334 1.00 0.00 N ATOM 1243 CA PHE A 85 5.157 -1.405 -4.644 1.00 0.00 C ATOM 1244 C PHE A 85 4.324 -2.208 -5.639 1.00 0.00 C ATOM 1245 O PHE A 85 3.736 -1.650 -6.566 1.00 0.00 O ATOM 1246 CB PHE A 85 4.244 -0.509 -3.804 1.00 0.00 C ATOM 1247 CG PHE A 85 4.945 0.143 -2.646 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.401 -0.615 -1.580 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.146 1.514 -2.624 1.00 0.00 C ATOM 1250 CE1 PHE A 85 6.047 -0.018 -0.513 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.791 2.116 -1.560 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.241 1.349 -0.503 1.00 0.00 C ATOM 0 H PHE A 85 5.794 0.246 -5.769 1.00 0.00 H new ATOM 0 HA PHE A 85 5.677 -2.102 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.819 0.265 -4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.412 -1.103 -3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.250 -1.684 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.795 2.119 -3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.399 -0.620 0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.943 3.185 -1.555 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.744 1.818 0.330 1.00 0.00 H new ATOM 1262 N LEU A 86 4.280 -3.520 -5.441 1.00 0.00 N ATOM 1263 CA LEU A 86 3.520 -4.402 -6.320 1.00 0.00 C ATOM 1264 C LEU A 86 2.388 -5.086 -5.560 1.00 0.00 C ATOM 1265 O LEU A 86 2.629 -5.881 -4.650 1.00 0.00 O ATOM 1266 CB LEU A 86 4.441 -5.453 -6.942 1.00 0.00 C ATOM 1267 CG LEU A 86 3.758 -6.534 -7.780 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.648 -6.094 -9.231 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.516 -7.849 -7.675 1.00 0.00 C ATOM 0 H LEU A 86 4.762 -3.997 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 86 3.084 -3.795 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.170 -4.942 -7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.996 -5.940 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 86 2.751 -6.687 -7.391 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.159 -6.876 -9.812 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.061 -5.178 -9.290 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.645 -5.913 -9.633 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.015 -8.607 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.535 -7.712 -8.037 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.542 -8.172 -6.634 1.00 0.00 H new ATOM 1281 N LEU A 87 1.154 -4.775 -5.940 1.00 0.00 N ATOM 1282 CA LEU A 87 -0.016 -5.362 -5.296 1.00 0.00 C ATOM 1283 C LEU A 87 -1.021 -5.851 -6.334 1.00 0.00 C ATOM 1284 O LEU A 87 -0.847 -5.633 -7.533 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.678 -4.341 -4.370 1.00 0.00 C ATOM 1286 CG LEU A 87 0.251 -3.302 -3.742 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.510 -2.160 -4.713 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.338 -2.775 -2.442 1.00 0.00 C ATOM 0 H LEU A 87 0.937 -4.120 -6.691 1.00 0.00 H new ATOM 0 HA LEU A 87 0.315 -6.217 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.449 -3.816 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.181 -4.881 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 87 1.203 -3.784 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.173 -1.431 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.977 -2.550 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.434 -1.680 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.337 -2.037 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.304 -2.311 -2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.470 -3.600 -1.742 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.074 -6.512 -5.865 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.109 -7.030 -6.752 1.00 0.00 C ATOM 1302 C VAL A 88 -4.467 -6.418 -6.427 1.00 0.00 C ATOM 1303 O VAL A 88 -4.772 -6.139 -5.267 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.214 -8.564 -6.657 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.100 -9.108 -7.768 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.831 -9.196 -6.710 1.00 0.00 C ATOM 0 H VAL A 88 -2.233 -6.702 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.823 -6.755 -7.767 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.670 -8.822 -5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.163 -10.193 -7.685 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.098 -8.679 -7.680 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.675 -8.842 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.923 -10.280 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.346 -8.932 -7.650 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.231 -8.830 -5.877 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.279 -6.213 -7.458 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.607 -5.635 -7.283 1.00 0.00 C ATOM 1318 C ASP A 89 -7.488 -6.547 -6.435 1.00 0.00 C ATOM 1319 O ASP A 89 -7.636 -7.733 -6.729 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.263 -5.390 -8.642 1.00 0.00 C ATOM 1321 CG ASP A 89 -7.306 -6.640 -9.499 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -8.189 -7.490 -9.263 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -6.455 -6.769 -10.404 1.00 0.00 O ATOM 0 H ASP A 89 -5.041 -6.438 -8.424 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.497 -4.682 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -8.278 -5.022 -8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.716 -4.609 -9.171 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.072 -5.985 -5.382 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.940 -6.746 -4.491 1.00 0.00 C ATOM 1330 C LYS A 90 -9.932 -7.588 -5.287 1.00 0.00 C ATOM 1331 O LYS A 90 -10.215 -8.731 -4.929 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.694 -5.802 -3.552 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.773 -4.988 -4.245 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.055 -3.691 -3.505 1.00 0.00 C ATOM 1335 CE LYS A 90 -10.167 -2.561 -4.005 1.00 0.00 C ATOM 1336 NZ LYS A 90 -8.838 -2.561 -3.332 1.00 0.00 N ATOM 0 H LYS A 90 -7.960 -5.004 -5.125 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.315 -7.415 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.149 -6.386 -2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.981 -5.122 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.463 -4.765 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.688 -5.577 -4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -12.102 -3.417 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.893 -3.837 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.029 -2.657 -5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.662 -1.606 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.637 -1.610 -2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.846 -3.244 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.102 -2.829 -4.016 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.455 -7.016 -6.367 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.415 -7.716 -7.212 1.00 0.00 C ATOM 1352 C GLU A 91 -10.957 -9.146 -7.486 1.00 0.00 C ATOM 1353 O GLU A 91 -11.739 -10.092 -7.382 1.00 0.00 O ATOM 1354 CB GLU A 91 -11.606 -6.968 -8.533 1.00 0.00 C ATOM 1355 CG GLU A 91 -12.228 -5.591 -8.368 1.00 0.00 C ATOM 1356 CD GLU A 91 -11.192 -4.505 -8.155 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -10.339 -4.314 -9.048 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -11.234 -3.845 -7.096 1.00 0.00 O ATOM 0 H GLU A 91 -10.230 -6.071 -6.677 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.367 -7.753 -6.683 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.639 -6.864 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.236 -7.566 -9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.819 -5.355 -9.253 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.914 -5.605 -7.521 1.00 0.00 H new