USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 573 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 16 SER OG : rot 156:sc= 0.668 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 170:sc= -0.405 USER MOD Single : A 10 TYR OH : rot 0:sc= 0.995 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0303 USER MOD Single : A 15 TYR OH : rot -159:sc= 1.08 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 29 SER OG : rot 90:sc= 1.22 USER MOD Single : A 30 MET CE :methyl -160:sc= -2.47! (180deg=-3.85!) USER MOD Single : A 51 GLN : amide:sc= -0.8 K(o=-0.8,f=-7.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.49) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 12.793 -6.933 -6.289 1.00 0.00 N ATOM 89 CA SER A 7 13.574 -7.729 -5.359 1.00 0.00 C ATOM 90 C SER A 7 12.650 -8.522 -4.440 1.00 0.00 C ATOM 91 O SER A 7 12.800 -9.733 -4.282 1.00 0.00 O ATOM 92 CB SER A 7 14.495 -6.823 -4.539 1.00 0.00 C ATOM 93 OG SER A 7 15.395 -7.579 -3.747 1.00 0.00 O ATOM 0 HA SER A 7 14.187 -8.432 -5.923 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.057 -6.171 -5.208 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.895 -6.179 -3.896 1.00 0.00 H new ATOM 0 HG SER A 7 15.971 -6.972 -3.237 1.00 0.00 H new ATOM 99 N ARG A 8 11.679 -7.838 -3.846 1.00 0.00 N ATOM 100 CA ARG A 8 10.742 -8.480 -2.950 1.00 0.00 C ATOM 101 C ARG A 8 9.357 -7.866 -3.106 1.00 0.00 C ATOM 102 O ARG A 8 9.222 -6.738 -3.573 1.00 0.00 O ATOM 103 CB ARG A 8 11.201 -8.361 -1.491 1.00 0.00 C ATOM 104 CG ARG A 8 11.378 -6.930 -0.993 1.00 0.00 C ATOM 105 CD ARG A 8 12.749 -6.371 -1.337 1.00 0.00 C ATOM 106 NE ARG A 8 12.862 -4.945 -1.033 1.00 0.00 N ATOM 107 CZ ARG A 8 14.015 -4.277 -0.995 1.00 0.00 C ATOM 108 NH1 ARG A 8 15.170 -4.925 -1.108 1.00 0.00 N ATOM 109 NH2 ARG A 8 14.014 -2.964 -0.815 1.00 0.00 N ATOM 0 H ARG A 8 11.525 -6.838 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 8 10.699 -9.537 -3.212 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.475 -8.866 -0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.147 -8.890 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.608 -6.296 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.236 -6.902 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.511 -6.919 -0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 8 12.948 -6.531 -2.397 1.00 0.00 H new ATOM 0 HE ARG A 8 12.004 -4.429 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.177 -5.938 -1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.049 -4.409 -1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 8 13.131 -2.465 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.896 -2.453 -0.786 1.00 0.00 H new ATOM 123 N SER A 9 8.339 -8.621 -2.730 1.00 0.00 N ATOM 124 CA SER A 9 6.972 -8.129 -2.745 1.00 0.00 C ATOM 125 C SER A 9 6.527 -7.839 -1.313 1.00 0.00 C ATOM 126 O SER A 9 7.172 -8.292 -0.359 1.00 0.00 O ATOM 127 CB SER A 9 6.059 -9.159 -3.405 1.00 0.00 C ATOM 128 OG SER A 9 6.586 -9.546 -4.663 1.00 0.00 O ATOM 0 H SER A 9 8.435 -9.584 -2.408 1.00 0.00 H new ATOM 0 HA SER A 9 6.914 -7.206 -3.323 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.958 -10.032 -2.761 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.061 -8.741 -3.534 1.00 0.00 H new ATOM 0 HG SER A 9 6.087 -10.317 -5.004 1.00 0.00 H new ATOM 134 N TYR A 10 5.446 -7.091 -1.153 1.00 0.00 N ATOM 135 CA TYR A 10 4.997 -6.702 0.176 1.00 0.00 C ATOM 136 C TYR A 10 3.528 -7.047 0.378 1.00 0.00 C ATOM 137 O TYR A 10 2.694 -6.772 -0.483 1.00 0.00 O ATOM 138 CB TYR A 10 5.207 -5.201 0.400 1.00 0.00 C ATOM 139 CG TYR A 10 6.650 -4.762 0.282 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.530 -4.913 1.343 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.130 -4.198 -0.891 1.00 0.00 C ATOM 142 CE1 TYR A 10 8.851 -4.521 1.236 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.450 -3.807 -1.007 1.00 0.00 C ATOM 144 CZ TYR A 10 9.306 -3.966 0.059 1.00 0.00 C ATOM 145 OH TYR A 10 10.623 -3.583 -0.057 1.00 0.00 O ATOM 0 H TYR A 10 4.868 -6.744 -1.918 1.00 0.00 H new ATOM 0 HA TYR A 10 5.591 -7.258 0.901 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.608 -4.648 -0.324 1.00 0.00 H new ATOM 0 HB3 TYR A 10 4.836 -4.935 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.177 -5.344 2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.461 -4.062 -1.728 1.00 0.00 H new ATOM 0 HE1 TYR A 10 9.524 -4.649 2.071 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.809 -3.378 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 10 11.096 -3.779 0.779 1.00 0.00 H new ATOM 155 N ARG A 11 3.223 -7.661 1.509 1.00 0.00 N ATOM 156 CA ARG A 11 1.845 -7.953 1.875 1.00 0.00 C ATOM 157 C ARG A 11 1.274 -6.802 2.690 1.00 0.00 C ATOM 158 O ARG A 11 2.011 -6.090 3.372 1.00 0.00 O ATOM 159 CB ARG A 11 1.762 -9.235 2.706 1.00 0.00 C ATOM 160 CG ARG A 11 2.294 -10.474 2.004 1.00 0.00 C ATOM 161 CD ARG A 11 2.360 -11.667 2.949 1.00 0.00 C ATOM 162 NE ARG A 11 1.067 -11.948 3.577 1.00 0.00 N ATOM 163 CZ ARG A 11 0.566 -13.172 3.743 1.00 0.00 C ATOM 164 NH1 ARG A 11 1.254 -14.240 3.358 1.00 0.00 N ATOM 165 NH2 ARG A 11 -0.622 -13.332 4.314 1.00 0.00 N ATOM 0 H ARG A 11 3.914 -7.969 2.193 1.00 0.00 H new ATOM 0 HA ARG A 11 1.271 -8.085 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.318 -9.090 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.722 -9.407 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.654 -10.716 1.156 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.288 -10.269 1.605 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.693 -12.547 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 11 3.104 -11.475 3.723 1.00 0.00 H new ATOM 0 HE ARG A 11 0.515 -11.157 3.908 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.174 -14.128 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.863 -15.173 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.152 -12.518 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.005 -14.269 4.441 1.00 0.00 H new ATOM 179 N ILE A 12 -0.030 -6.622 2.621 1.00 0.00 N ATOM 180 CA ILE A 12 -0.688 -5.600 3.418 1.00 0.00 C ATOM 181 C ILE A 12 -1.386 -6.243 4.609 1.00 0.00 C ATOM 182 O ILE A 12 -2.288 -7.063 4.437 1.00 0.00 O ATOM 183 CB ILE A 12 -1.731 -4.807 2.600 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.129 -4.321 1.280 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.250 -3.627 3.413 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.109 -3.569 0.403 1.00 0.00 C ATOM 0 H ILE A 12 -0.654 -7.166 2.025 1.00 0.00 H new ATOM 0 HA ILE A 12 0.083 -4.907 3.753 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.565 -5.470 2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.278 -3.675 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.746 -5.179 0.728 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.984 -3.076 2.826 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.717 -3.993 4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.420 -2.968 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.610 -3.256 -0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.949 -4.218 0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.474 -2.691 0.935 1.00 0.00 H new ATOM 198 N THR A 13 -0.962 -5.887 5.810 1.00 0.00 N ATOM 199 CA THR A 13 -1.589 -6.407 7.015 1.00 0.00 C ATOM 200 C THR A 13 -2.773 -5.543 7.422 1.00 0.00 C ATOM 201 O THR A 13 -3.705 -6.009 8.084 1.00 0.00 O ATOM 202 CB THR A 13 -0.587 -6.485 8.181 1.00 0.00 C ATOM 203 OG1 THR A 13 0.265 -5.330 8.173 1.00 0.00 O ATOM 204 CG2 THR A 13 0.254 -7.749 8.093 1.00 0.00 C ATOM 0 H THR A 13 -0.189 -5.243 5.977 1.00 0.00 H new ATOM 0 HA THR A 13 -1.939 -7.414 6.789 1.00 0.00 H new ATOM 0 HB THR A 13 -1.150 -6.513 9.114 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.899 -5.386 8.918 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.954 -7.779 8.928 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.397 -8.623 8.133 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.809 -7.752 7.155 1.00 0.00 H new ATOM 212 N GLY A 14 -2.745 -4.289 7.003 1.00 0.00 N ATOM 213 CA GLY A 14 -3.806 -3.372 7.343 1.00 0.00 C ATOM 214 C GLY A 14 -3.416 -1.940 7.071 1.00 0.00 C ATOM 215 O GLY A 14 -2.549 -1.677 6.236 1.00 0.00 O ATOM 0 H GLY A 14 -2.001 -3.890 6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.699 -3.621 6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.061 -3.486 8.397 1.00 0.00 H new ATOM 219 N TYR A 15 -4.029 -1.020 7.789 1.00 0.00 N ATOM 220 CA TYR A 15 -3.790 0.396 7.579 1.00 0.00 C ATOM 221 C TYR A 15 -3.107 0.995 8.798 1.00 0.00 C ATOM 222 O TYR A 15 -3.257 0.491 9.912 1.00 0.00 O ATOM 223 CB TYR A 15 -5.108 1.129 7.319 1.00 0.00 C ATOM 224 CG TYR A 15 -5.934 0.530 6.203 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.760 -0.562 6.433 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.891 1.059 4.921 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.517 -1.113 5.417 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.646 0.517 3.899 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.457 -0.567 4.150 1.00 0.00 C ATOM 230 OH TYR A 15 -8.210 -1.109 3.135 1.00 0.00 O ATOM 0 H TYR A 15 -4.701 -1.229 8.528 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.144 0.511 6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.699 1.129 8.235 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.892 2.170 7.079 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.812 -0.988 7.424 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.256 1.909 4.719 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.151 -1.965 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.600 0.942 2.907 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.826 -0.854 2.270 1.00 0.00 H new ATOM 240 N SER A 16 -2.353 2.055 8.580 1.00 0.00 N ATOM 241 CA SER A 16 -1.686 2.751 9.658 1.00 0.00 C ATOM 242 C SER A 16 -2.705 3.494 10.524 1.00 0.00 C ATOM 243 O SER A 16 -3.656 4.075 10.007 1.00 0.00 O ATOM 244 CB SER A 16 -0.679 3.730 9.066 1.00 0.00 C ATOM 245 OG SER A 16 0.216 3.069 8.187 1.00 0.00 O ATOM 0 H SER A 16 -2.187 2.454 7.656 1.00 0.00 H new ATOM 0 HA SER A 16 -1.166 2.031 10.290 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.206 4.519 8.529 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.118 4.210 9.868 1.00 0.00 H new ATOM 0 HG SER A 16 0.586 3.715 7.550 1.00 0.00 H new ATOM 251 N PRO A 17 -2.516 3.485 11.852 1.00 0.00 N ATOM 252 CA PRO A 17 -3.418 4.170 12.792 1.00 0.00 C ATOM 253 C PRO A 17 -3.463 5.680 12.554 1.00 0.00 C ATOM 254 O PRO A 17 -4.406 6.361 12.959 1.00 0.00 O ATOM 255 CB PRO A 17 -2.809 3.868 14.167 1.00 0.00 C ATOM 256 CG PRO A 17 -1.926 2.685 13.954 1.00 0.00 C ATOM 257 CD PRO A 17 -1.417 2.800 12.549 1.00 0.00 C ATOM 0 HA PRO A 17 -4.448 3.829 12.685 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.242 4.720 14.542 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.584 3.653 14.902 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.103 2.678 14.668 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.478 1.755 14.095 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.491 3.372 12.501 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.211 1.822 12.114 1.00 0.00 H new ATOM 265 N ALA A 18 -2.437 6.195 11.889 1.00 0.00 N ATOM 266 CA ALA A 18 -2.347 7.619 11.579 1.00 0.00 C ATOM 267 C ALA A 18 -2.894 7.909 10.184 1.00 0.00 C ATOM 268 O ALA A 18 -2.469 8.855 9.521 1.00 0.00 O ATOM 269 CB ALA A 18 -0.903 8.083 11.697 1.00 0.00 C ATOM 0 H ALA A 18 -1.648 5.644 11.551 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.955 8.171 12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.842 9.146 11.465 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.548 7.913 12.713 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.282 7.523 10.998 1.00 0.00 H new ATOM 275 N ILE A 19 -3.843 7.092 9.752 1.00 0.00 N ATOM 276 CA ILE A 19 -4.473 7.261 8.448 1.00 0.00 C ATOM 277 C ILE A 19 -5.450 8.447 8.471 1.00 0.00 C ATOM 278 O ILE A 19 -6.026 8.765 9.515 1.00 0.00 O ATOM 279 CB ILE A 19 -5.199 5.961 8.014 1.00 0.00 C ATOM 280 CG1 ILE A 19 -5.669 6.055 6.563 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.372 5.664 8.940 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.201 4.747 6.016 1.00 0.00 C ATOM 0 H ILE A 19 -4.197 6.300 10.288 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.693 7.473 7.717 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.488 5.138 8.086 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.448 6.814 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.839 6.389 5.941 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.867 4.748 8.618 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.008 5.540 9.960 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.081 6.491 8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.517 4.887 4.982 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.418 3.990 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.052 4.422 6.614 1.00 0.00 H new ATOM 294 N SER A 20 -5.617 9.106 7.331 1.00 0.00 N ATOM 295 CA SER A 20 -6.402 10.335 7.262 1.00 0.00 C ATOM 296 C SER A 20 -7.883 10.066 6.980 1.00 0.00 C ATOM 297 O SER A 20 -8.220 9.476 5.961 1.00 0.00 O ATOM 298 CB SER A 20 -5.840 11.244 6.167 1.00 0.00 C ATOM 299 OG SER A 20 -4.433 11.368 6.280 1.00 0.00 O ATOM 0 H SER A 20 -5.219 8.810 6.440 1.00 0.00 H new ATOM 0 HA SER A 20 -6.331 10.819 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.095 10.839 5.188 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.302 12.229 6.235 1.00 0.00 H new ATOM 0 HG SER A 20 -4.098 11.952 5.568 1.00 0.00 H new ATOM 305 N ASN A 21 -8.729 10.459 7.935 1.00 0.00 N ATOM 306 CA ASN A 21 -10.194 10.585 7.769 1.00 0.00 C ATOM 307 C ASN A 21 -10.810 9.715 6.659 1.00 0.00 C ATOM 308 O ASN A 21 -10.951 10.150 5.512 1.00 0.00 O ATOM 309 CB ASN A 21 -10.550 12.058 7.538 1.00 0.00 C ATOM 310 CG ASN A 21 -12.044 12.315 7.452 1.00 0.00 C ATOM 311 OD1 ASN A 21 -12.621 12.369 6.363 1.00 0.00 O ATOM 312 ND2 ASN A 21 -12.681 12.464 8.603 1.00 0.00 N ATOM 0 H ASN A 21 -8.414 10.707 8.873 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.629 10.207 8.694 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.133 12.656 8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.078 12.397 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.687 12.631 8.611 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.165 12.412 9.482 1.00 0.00 H new ATOM 319 N GLY A 22 -11.173 8.488 7.015 1.00 0.00 N ATOM 320 CA GLY A 22 -11.933 7.621 6.123 1.00 0.00 C ATOM 321 C GLY A 22 -11.179 7.158 4.891 1.00 0.00 C ATOM 322 O GLY A 22 -11.773 6.549 3.997 1.00 0.00 O ATOM 0 H GLY A 22 -10.952 8.070 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.260 6.744 6.683 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.832 8.149 5.805 1.00 0.00 H new ATOM 326 N TYR A 23 -9.880 7.416 4.829 1.00 0.00 N ATOM 327 CA TYR A 23 -9.091 6.999 3.682 1.00 0.00 C ATOM 328 C TYR A 23 -9.030 5.485 3.573 1.00 0.00 C ATOM 329 O TYR A 23 -8.804 4.954 2.492 1.00 0.00 O ATOM 330 CB TYR A 23 -7.686 7.587 3.735 1.00 0.00 C ATOM 331 CG TYR A 23 -7.476 8.699 2.734 1.00 0.00 C ATOM 332 CD1 TYR A 23 -8.015 9.962 2.945 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.751 8.481 1.568 1.00 0.00 C ATOM 334 CE1 TYR A 23 -7.833 10.979 2.027 1.00 0.00 C ATOM 335 CE2 TYR A 23 -6.565 9.491 0.644 1.00 0.00 C ATOM 336 CZ TYR A 23 -7.107 10.739 0.879 1.00 0.00 C ATOM 337 OH TYR A 23 -6.927 11.744 -0.045 1.00 0.00 O ATOM 0 H TYR A 23 -9.356 7.907 5.553 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.588 7.383 2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.494 7.967 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.959 6.796 3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.586 10.152 3.842 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.326 7.506 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.257 11.956 2.207 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -5.999 9.306 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.392 11.408 -0.794 1.00 0.00 H new ATOM 347 N ARG A 24 -9.243 4.790 4.690 1.00 0.00 N ATOM 348 CA ARG A 24 -9.334 3.340 4.678 1.00 0.00 C ATOM 349 C ARG A 24 -10.414 2.896 3.710 1.00 0.00 C ATOM 350 O ARG A 24 -10.206 2.006 2.891 1.00 0.00 O ATOM 351 CB ARG A 24 -9.669 2.817 6.075 1.00 0.00 C ATOM 352 CG ARG A 24 -9.835 1.310 6.124 1.00 0.00 C ATOM 353 CD ARG A 24 -10.509 0.843 7.406 1.00 0.00 C ATOM 354 NE ARG A 24 -9.689 1.076 8.592 1.00 0.00 N ATOM 355 CZ ARG A 24 -10.185 1.229 9.820 1.00 0.00 C ATOM 356 NH1 ARG A 24 -11.499 1.161 10.029 1.00 0.00 N ATOM 357 NH2 ARG A 24 -9.366 1.427 10.841 1.00 0.00 N ATOM 0 H ARG A 24 -9.355 5.212 5.612 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.371 2.937 4.363 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.879 3.112 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.588 3.289 6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.424 0.984 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.857 0.836 6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.461 1.361 7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.732 -0.221 7.327 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.677 1.125 8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.132 0.991 9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -11.872 1.279 10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.358 1.462 10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.743 1.544 11.782 1.00 0.00 H new ATOM 371 N GLN A 25 -11.561 3.547 3.805 1.00 0.00 N ATOM 372 CA GLN A 25 -12.703 3.222 2.983 1.00 0.00 C ATOM 373 C GLN A 25 -12.416 3.504 1.514 1.00 0.00 C ATOM 374 O GLN A 25 -12.876 2.781 0.627 1.00 0.00 O ATOM 375 CB GLN A 25 -13.912 4.018 3.460 1.00 0.00 C ATOM 376 CG GLN A 25 -14.367 3.651 4.865 1.00 0.00 C ATOM 377 CD GLN A 25 -15.604 4.416 5.302 1.00 0.00 C ATOM 378 OE1 GLN A 25 -15.759 5.636 4.812 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.412 3.914 6.083 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.722 4.315 4.456 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.915 2.157 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.671 5.081 3.431 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.738 3.859 2.767 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.573 2.581 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.557 3.848 5.567 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.258 2.971 6.439 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.235 4.441 6.374 1.00 0.00 H new ATOM 388 N ARG A 26 -11.638 4.545 1.267 1.00 0.00 N ATOM 389 CA ARG A 26 -11.254 4.904 -0.087 1.00 0.00 C ATOM 390 C ARG A 26 -10.230 3.913 -0.622 1.00 0.00 C ATOM 391 O ARG A 26 -10.291 3.500 -1.779 1.00 0.00 O ATOM 392 CB ARG A 26 -10.682 6.320 -0.111 1.00 0.00 C ATOM 393 CG ARG A 26 -10.483 6.880 -1.509 1.00 0.00 C ATOM 394 CD ARG A 26 -10.220 8.378 -1.474 1.00 0.00 C ATOM 395 NE ARG A 26 -11.314 9.101 -0.827 1.00 0.00 N ATOM 396 CZ ARG A 26 -11.280 10.398 -0.523 1.00 0.00 C ATOM 397 NH1 ARG A 26 -10.231 11.144 -0.856 1.00 0.00 N ATOM 398 NH2 ARG A 26 -12.305 10.958 0.105 1.00 0.00 N ATOM 0 H ARG A 26 -11.259 5.158 1.989 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.137 4.871 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.349 6.980 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.725 6.324 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.646 6.373 -1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.368 6.678 -2.113 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.289 8.572 -0.941 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.089 8.749 -2.491 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.158 8.578 -0.593 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.443 10.724 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.215 12.136 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.119 10.396 0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.280 11.951 0.338 1.00 0.00 H new ATOM 412 N LEU A 27 -9.311 3.515 0.244 1.00 0.00 N ATOM 413 CA LEU A 27 -8.250 2.589 -0.132 1.00 0.00 C ATOM 414 C LEU A 27 -8.828 1.207 -0.403 1.00 0.00 C ATOM 415 O LEU A 27 -8.480 0.559 -1.389 1.00 0.00 O ATOM 416 CB LEU A 27 -7.186 2.517 0.973 1.00 0.00 C ATOM 417 CG LEU A 27 -6.370 3.796 1.186 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.441 3.643 2.379 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.572 4.138 -0.062 1.00 0.00 C ATOM 0 H LEU A 27 -9.277 3.820 1.217 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.777 2.953 -1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.678 2.260 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.499 1.703 0.740 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.064 4.613 1.387 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.869 4.561 2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.029 3.446 3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.757 2.813 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.000 5.049 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.890 3.320 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.253 4.290 -0.899 1.00 0.00 H new ATOM 431 N PHE A 28 -9.733 0.782 0.468 1.00 0.00 N ATOM 432 CA PHE A 28 -10.393 -0.513 0.347 1.00 0.00 C ATOM 433 C PHE A 28 -11.174 -0.587 -0.960 1.00 0.00 C ATOM 434 O PHE A 28 -11.141 -1.594 -1.666 1.00 0.00 O ATOM 435 CB PHE A 28 -11.342 -0.714 1.532 1.00 0.00 C ATOM 436 CG PHE A 28 -11.716 -2.149 1.788 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.728 -2.762 1.066 1.00 0.00 C ATOM 438 CD2 PHE A 28 -11.052 -2.885 2.757 1.00 0.00 C ATOM 439 CE1 PHE A 28 -13.068 -4.080 1.306 1.00 0.00 C ATOM 440 CE2 PHE A 28 -11.388 -4.204 3.001 1.00 0.00 C ATOM 441 CZ PHE A 28 -12.397 -4.801 2.273 1.00 0.00 C ATOM 0 H PHE A 28 -10.031 1.324 1.279 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.638 -1.299 0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.876 -0.306 2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.251 -0.139 1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.257 -2.204 0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.262 -2.422 3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.859 -4.546 0.737 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.862 -4.765 3.759 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.661 -5.831 2.460 1.00 0.00 H new ATOM 451 N SER A 29 -11.860 0.503 -1.279 1.00 0.00 N ATOM 452 CA SER A 29 -12.654 0.589 -2.498 1.00 0.00 C ATOM 453 C SER A 29 -11.765 0.579 -3.738 1.00 0.00 C ATOM 454 O SER A 29 -12.166 0.090 -4.797 1.00 0.00 O ATOM 455 CB SER A 29 -13.502 1.862 -2.476 1.00 0.00 C ATOM 456 OG SER A 29 -14.429 1.843 -1.400 1.00 0.00 O ATOM 0 H SER A 29 -11.882 1.346 -0.705 1.00 0.00 H new ATOM 0 HA SER A 29 -13.306 -0.283 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.853 2.733 -2.385 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.038 1.961 -3.420 1.00 0.00 H new ATOM 0 HG SER A 29 -14.015 2.238 -0.604 1.00 0.00 H new ATOM 462 N MET A 30 -10.560 1.121 -3.602 1.00 0.00 N ATOM 463 CA MET A 30 -9.613 1.168 -4.712 1.00 0.00 C ATOM 464 C MET A 30 -8.919 -0.176 -4.903 1.00 0.00 C ATOM 465 O MET A 30 -8.519 -0.524 -6.013 1.00 0.00 O ATOM 466 CB MET A 30 -8.577 2.279 -4.499 1.00 0.00 C ATOM 467 CG MET A 30 -9.107 3.673 -4.801 1.00 0.00 C ATOM 468 SD MET A 30 -7.824 4.938 -4.725 1.00 0.00 S ATOM 469 CE MET A 30 -7.355 4.855 -2.999 1.00 0.00 C ATOM 0 H MET A 30 -10.215 1.534 -2.735 1.00 0.00 H new ATOM 0 HA MET A 30 -10.177 1.390 -5.618 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.230 2.247 -3.466 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.712 2.083 -5.132 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.558 3.678 -5.793 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.896 3.919 -4.091 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.853 5.779 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.246 4.722 -2.386 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.680 4.013 -2.845 1.00 0.00 H new ATOM 479 N GLY A 31 -8.795 -0.939 -3.827 1.00 0.00 N ATOM 480 CA GLY A 31 -8.190 -2.252 -3.927 1.00 0.00 C ATOM 481 C GLY A 31 -7.018 -2.433 -2.985 1.00 0.00 C ATOM 482 O GLY A 31 -6.347 -3.464 -3.011 1.00 0.00 O ATOM 0 H GLY A 31 -9.101 -0.675 -2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.943 -3.011 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.855 -2.415 -4.951 1.00 0.00 H new ATOM 486 N LEU A 32 -6.766 -1.433 -2.151 1.00 0.00 N ATOM 487 CA LEU A 32 -5.678 -1.507 -1.188 1.00 0.00 C ATOM 488 C LEU A 32 -6.225 -1.944 0.164 1.00 0.00 C ATOM 489 O LEU A 32 -6.699 -1.124 0.951 1.00 0.00 O ATOM 490 CB LEU A 32 -4.966 -0.156 -1.068 1.00 0.00 C ATOM 491 CG LEU A 32 -4.339 0.362 -2.366 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.705 1.728 -2.146 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.306 -0.626 -2.895 1.00 0.00 C ATOM 0 H LEU A 32 -7.299 -0.564 -2.122 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.949 -2.240 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.681 0.584 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.185 -0.240 -0.313 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.129 0.465 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.265 2.079 -3.079 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.467 2.434 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.928 1.650 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.872 -0.240 -3.817 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.519 -0.762 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.787 -1.584 -3.093 1.00 0.00 H new ATOM 505 N LEU A 33 -6.180 -3.241 0.416 1.00 0.00 N ATOM 506 CA LEU A 33 -6.793 -3.804 1.605 1.00 0.00 C ATOM 507 C LEU A 33 -5.914 -4.883 2.234 1.00 0.00 C ATOM 508 O LEU A 33 -5.036 -5.444 1.575 1.00 0.00 O ATOM 509 CB LEU A 33 -8.180 -4.355 1.245 1.00 0.00 C ATOM 510 CG LEU A 33 -8.259 -5.168 -0.055 1.00 0.00 C ATOM 511 CD1 LEU A 33 -7.752 -6.588 0.145 1.00 0.00 C ATOM 512 CD2 LEU A 33 -9.683 -5.180 -0.587 1.00 0.00 C ATOM 0 H LEU A 33 -5.724 -3.924 -0.189 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.903 -3.017 2.351 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.525 -4.984 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.875 -3.518 1.171 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.614 -4.686 -0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.822 -7.135 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.713 -6.561 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.357 -7.087 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.722 -5.760 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.344 -5.630 0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.005 -4.158 -0.788 1.00 0.00 H new ATOM 524 N PRO A 34 -6.130 -5.174 3.531 1.00 0.00 N ATOM 525 CA PRO A 34 -5.390 -6.220 4.244 1.00 0.00 C ATOM 526 C PRO A 34 -5.569 -7.593 3.597 1.00 0.00 C ATOM 527 O PRO A 34 -6.693 -8.089 3.464 1.00 0.00 O ATOM 528 CB PRO A 34 -5.996 -6.209 5.653 1.00 0.00 C ATOM 529 CG PRO A 34 -7.293 -5.485 5.521 1.00 0.00 C ATOM 530 CD PRO A 34 -7.105 -4.501 4.405 1.00 0.00 C ATOM 0 HA PRO A 34 -4.316 -6.032 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.148 -7.223 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.336 -5.707 6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.105 -6.177 5.298 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.553 -4.977 6.450 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.041 -4.298 3.884 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.728 -3.545 4.769 1.00 0.00 H new ATOM 538 N GLY A 35 -4.461 -8.197 3.197 1.00 0.00 N ATOM 539 CA GLY A 35 -4.511 -9.470 2.508 1.00 0.00 C ATOM 540 C GLY A 35 -4.015 -9.357 1.080 1.00 0.00 C ATOM 541 O GLY A 35 -3.626 -10.353 0.465 1.00 0.00 O ATOM 0 H GLY A 35 -3.522 -7.826 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.905 -10.199 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.535 -9.844 2.509 1.00 0.00 H new ATOM 545 N ALA A 36 -4.012 -8.140 0.555 1.00 0.00 N ATOM 546 CA ALA A 36 -3.561 -7.892 -0.801 1.00 0.00 C ATOM 547 C ALA A 36 -2.049 -7.749 -0.840 1.00 0.00 C ATOM 548 O ALA A 36 -1.491 -6.761 -0.372 1.00 0.00 O ATOM 549 CB ALA A 36 -4.231 -6.653 -1.372 1.00 0.00 C ATOM 0 H ALA A 36 -4.320 -7.305 1.054 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.842 -8.745 -1.418 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.879 -6.485 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.312 -6.795 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.984 -5.789 -0.755 1.00 0.00 H new ATOM 555 N ALA A 37 -1.391 -8.755 -1.363 1.00 0.00 N ATOM 556 CA ALA A 37 0.052 -8.715 -1.510 1.00 0.00 C ATOM 557 C ALA A 37 0.442 -8.092 -2.844 1.00 0.00 C ATOM 558 O ALA A 37 0.134 -8.631 -3.910 1.00 0.00 O ATOM 559 CB ALA A 37 0.637 -10.107 -1.375 1.00 0.00 C ATOM 0 H ALA A 37 -1.828 -9.614 -1.696 1.00 0.00 H new ATOM 0 HA ALA A 37 0.461 -8.092 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.720 -10.059 -1.488 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.392 -10.511 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.220 -10.753 -2.147 1.00 0.00 H new ATOM 565 N LEU A 38 1.120 -6.958 -2.782 1.00 0.00 N ATOM 566 CA LEU A 38 1.518 -6.234 -3.980 1.00 0.00 C ATOM 567 C LEU A 38 2.930 -6.620 -4.382 1.00 0.00 C ATOM 568 O LEU A 38 3.841 -6.681 -3.549 1.00 0.00 O ATOM 569 CB LEU A 38 1.444 -4.727 -3.745 1.00 0.00 C ATOM 570 CG LEU A 38 0.090 -4.206 -3.263 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.165 -2.716 -2.983 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.993 -4.502 -4.291 1.00 0.00 C ATOM 0 H LEU A 38 1.408 -6.516 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 38 0.831 -6.499 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.202 -4.453 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.701 -4.218 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.167 -4.719 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.807 -2.361 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.912 -2.528 -2.212 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.444 -2.188 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.950 -4.124 -3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.742 -4.016 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.063 -5.579 -4.446 1.00 0.00 H new ATOM 584 N ARG A 39 3.103 -6.877 -5.660 1.00 0.00 N ATOM 585 CA ARG A 39 4.397 -7.253 -6.195 1.00 0.00 C ATOM 586 C ARG A 39 5.073 -6.036 -6.806 1.00 0.00 C ATOM 587 O ARG A 39 4.577 -5.474 -7.779 1.00 0.00 O ATOM 588 CB ARG A 39 4.231 -8.350 -7.248 1.00 0.00 C ATOM 589 CG ARG A 39 5.543 -8.888 -7.785 1.00 0.00 C ATOM 590 CD ARG A 39 5.312 -9.992 -8.801 1.00 0.00 C ATOM 591 NE ARG A 39 6.554 -10.658 -9.182 1.00 0.00 N ATOM 592 CZ ARG A 39 6.618 -11.915 -9.612 1.00 0.00 C ATOM 593 NH1 ARG A 39 5.509 -12.632 -9.760 1.00 0.00 N ATOM 594 NH2 ARG A 39 7.796 -12.453 -9.899 1.00 0.00 N ATOM 0 H ARG A 39 2.358 -6.832 -6.355 1.00 0.00 H new ATOM 0 HA ARG A 39 5.020 -7.637 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.662 -9.173 -6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.643 -7.958 -8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.109 -8.079 -8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.147 -9.269 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.620 -10.726 -8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.839 -9.573 -9.689 1.00 0.00 H new ATOM 0 HE ARG A 39 7.423 -10.129 -9.115 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.602 -12.219 -9.543 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.565 -13.595 -10.090 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.648 -11.903 -9.790 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.850 -13.417 -10.229 1.00 0.00 H new ATOM 608 N VAL A 40 6.188 -5.628 -6.218 1.00 0.00 N ATOM 609 CA VAL A 40 6.923 -4.454 -6.680 1.00 0.00 C ATOM 610 C VAL A 40 7.462 -4.659 -8.084 1.00 0.00 C ATOM 611 O VAL A 40 8.221 -5.594 -8.335 1.00 0.00 O ATOM 612 CB VAL A 40 8.098 -4.131 -5.739 1.00 0.00 C ATOM 613 CG1 VAL A 40 8.884 -2.931 -6.243 1.00 0.00 C ATOM 614 CG2 VAL A 40 7.597 -3.888 -4.329 1.00 0.00 C ATOM 0 H VAL A 40 6.608 -6.095 -5.414 1.00 0.00 H new ATOM 0 HA VAL A 40 6.220 -3.621 -6.683 1.00 0.00 H new ATOM 0 HB VAL A 40 8.768 -4.991 -5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.708 -2.723 -5.561 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.280 -3.146 -7.236 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.228 -2.062 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.441 -3.661 -3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.902 -3.048 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.087 -4.780 -3.965 1.00 0.00 H new ATOM 624 N VAL A 41 7.044 -3.798 -8.993 1.00 0.00 N ATOM 625 CA VAL A 41 7.576 -3.803 -10.342 1.00 0.00 C ATOM 626 C VAL A 41 8.665 -2.739 -10.493 1.00 0.00 C ATOM 627 O VAL A 41 9.784 -3.040 -10.908 1.00 0.00 O ATOM 628 CB VAL A 41 6.466 -3.557 -11.389 1.00 0.00 C ATOM 629 CG1 VAL A 41 7.026 -3.618 -12.802 1.00 0.00 C ATOM 630 CG2 VAL A 41 5.334 -4.560 -11.220 1.00 0.00 C ATOM 0 H VAL A 41 6.336 -3.085 -8.821 1.00 0.00 H new ATOM 0 HA VAL A 41 8.005 -4.789 -10.519 1.00 0.00 H new ATOM 0 HB VAL A 41 6.067 -2.556 -11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.224 -3.442 -13.519 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.795 -2.855 -12.922 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.461 -4.602 -12.979 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.564 -4.369 -11.967 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.721 -5.571 -11.349 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.905 -4.460 -10.223 1.00 0.00 H new ATOM 640 N ARG A 42 8.345 -1.492 -10.140 1.00 0.00 N ATOM 641 CA ARG A 42 9.268 -0.379 -10.384 1.00 0.00 C ATOM 642 C ARG A 42 9.158 0.723 -9.331 1.00 0.00 C ATOM 643 O ARG A 42 8.063 1.071 -8.893 1.00 0.00 O ATOM 644 CB ARG A 42 9.004 0.238 -11.763 1.00 0.00 C ATOM 645 CG ARG A 42 9.376 -0.659 -12.931 1.00 0.00 C ATOM 646 CD ARG A 42 8.951 -0.054 -14.259 1.00 0.00 C ATOM 647 NE ARG A 42 9.595 1.234 -14.522 1.00 0.00 N ATOM 648 CZ ARG A 42 9.918 1.669 -15.742 1.00 0.00 C ATOM 649 NH1 ARG A 42 9.670 0.919 -16.812 1.00 0.00 N ATOM 650 NH2 ARG A 42 10.495 2.855 -15.887 1.00 0.00 N ATOM 0 H ARG A 42 7.468 -1.229 -9.691 1.00 0.00 H new ATOM 0 HA ARG A 42 10.273 -0.798 -10.334 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.947 0.492 -11.838 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.563 1.170 -11.844 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.453 -0.825 -12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.904 -1.634 -12.807 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.192 -0.748 -15.064 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.869 0.077 -14.265 1.00 0.00 H new ATOM 0 HE ARG A 42 9.810 1.835 -13.726 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.230 0.005 -16.703 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.919 1.258 -17.741 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.690 3.431 -15.068 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.743 3.191 -16.818 1.00 0.00 H new ATOM 664 N ILE A 43 10.308 1.268 -8.940 1.00 0.00 N ATOM 665 CA ILE A 43 10.366 2.489 -8.138 1.00 0.00 C ATOM 666 C ILE A 43 11.145 3.540 -8.930 1.00 0.00 C ATOM 667 O ILE A 43 12.120 3.203 -9.608 1.00 0.00 O ATOM 668 CB ILE A 43 11.081 2.293 -6.772 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.392 1.218 -5.926 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.143 3.610 -5.997 1.00 0.00 C ATOM 671 CD1 ILE A 43 10.871 -0.185 -6.224 1.00 0.00 C ATOM 0 H ILE A 43 11.222 0.878 -9.169 1.00 0.00 H new ATOM 0 HA ILE A 43 9.340 2.792 -7.931 1.00 0.00 H new ATOM 0 HB ILE A 43 12.097 1.959 -6.983 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.561 1.434 -4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.316 1.269 -6.094 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.648 3.448 -5.044 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.694 4.349 -6.579 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.131 3.973 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.340 -0.893 -5.588 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.678 -0.421 -7.270 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.941 -0.253 -6.028 1.00 0.00 H new ATOM 683 N ALA A 44 10.715 4.792 -8.874 1.00 0.00 N ATOM 684 CA ALA A 44 11.442 5.874 -9.534 1.00 0.00 C ATOM 685 C ALA A 44 12.645 6.311 -8.698 1.00 0.00 C ATOM 686 O ALA A 44 12.528 6.510 -7.490 1.00 0.00 O ATOM 687 CB ALA A 44 10.528 7.062 -9.794 1.00 0.00 C ATOM 0 H ALA A 44 9.871 5.086 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 44 11.802 5.497 -10.491 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.092 7.854 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.703 6.753 -10.435 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.133 7.432 -8.847 1.00 0.00 H new ATOM 693 N PRO A 45 13.815 6.488 -9.343 1.00 0.00 N ATOM 694 CA PRO A 45 15.074 6.854 -8.659 1.00 0.00 C ATOM 695 C PRO A 45 15.025 8.239 -8.008 1.00 0.00 C ATOM 696 O PRO A 45 15.948 8.632 -7.290 1.00 0.00 O ATOM 697 CB PRO A 45 16.117 6.831 -9.782 1.00 0.00 C ATOM 698 CG PRO A 45 15.335 7.005 -11.037 1.00 0.00 C ATOM 699 CD PRO A 45 14.009 6.343 -10.794 1.00 0.00 C ATOM 0 HA PRO A 45 15.290 6.170 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.848 7.630 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.670 5.892 -9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.206 8.061 -11.273 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.849 6.550 -11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.210 6.826 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.022 5.295 -11.095 1.00 0.00 H new ATOM 707 N LEU A 46 13.950 8.974 -8.270 1.00 0.00 N ATOM 708 CA LEU A 46 13.724 10.277 -7.646 1.00 0.00 C ATOM 709 C LEU A 46 13.648 10.148 -6.137 1.00 0.00 C ATOM 710 O LEU A 46 14.132 11.001 -5.391 1.00 0.00 O ATOM 711 CB LEU A 46 12.415 10.888 -8.149 1.00 0.00 C ATOM 712 CG LEU A 46 12.523 11.716 -9.432 1.00 0.00 C ATOM 713 CD1 LEU A 46 13.584 12.794 -9.278 1.00 0.00 C ATOM 714 CD2 LEU A 46 12.829 10.825 -10.629 1.00 0.00 C ATOM 0 H LEU A 46 13.214 8.688 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 46 14.562 10.920 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.700 10.083 -8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.004 11.521 -7.362 1.00 0.00 H new ATOM 0 HG LEU A 46 11.562 12.199 -9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.649 13.374 -10.198 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.316 13.453 -8.452 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.548 12.329 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.901 11.436 -11.529 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.774 10.308 -10.465 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.031 10.093 -10.751 1.00 0.00 H new ATOM 726 N GLY A 47 13.034 9.070 -5.711 1.00 0.00 N ATOM 727 CA GLY A 47 12.792 8.842 -4.314 1.00 0.00 C ATOM 728 C GLY A 47 11.960 7.613 -4.141 1.00 0.00 C ATOM 729 O GLY A 47 12.488 6.550 -3.810 1.00 0.00 O ATOM 0 H GLY A 47 12.691 8.331 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.738 8.730 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.283 9.702 -3.878 1.00 0.00 H new ATOM 733 N ASP A 48 10.662 7.745 -4.415 1.00 0.00 N ATOM 734 CA ASP A 48 9.782 6.589 -4.427 1.00 0.00 C ATOM 735 C ASP A 48 8.336 6.925 -4.769 1.00 0.00 C ATOM 736 O ASP A 48 7.670 7.719 -4.099 1.00 0.00 O ATOM 737 CB ASP A 48 9.816 5.964 -3.029 1.00 0.00 C ATOM 738 CG ASP A 48 8.949 4.732 -2.875 1.00 0.00 C ATOM 739 OD1 ASP A 48 9.449 3.614 -3.124 1.00 0.00 O ATOM 740 OD2 ASP A 48 7.785 4.881 -2.453 1.00 0.00 O ATOM 0 H ASP A 48 10.206 8.632 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 48 10.140 5.912 -5.203 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.846 5.702 -2.786 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.497 6.711 -2.302 1.00 0.00 H new ATOM 745 N PRO A 49 7.880 6.340 -5.879 1.00 0.00 N ATOM 746 CA PRO A 49 6.569 5.763 -6.058 1.00 0.00 C ATOM 747 C PRO A 49 6.709 4.258 -6.180 1.00 0.00 C ATOM 748 O PRO A 49 7.787 3.746 -6.492 1.00 0.00 O ATOM 749 CB PRO A 49 6.129 6.342 -7.399 1.00 0.00 C ATOM 750 CG PRO A 49 7.405 6.747 -8.093 1.00 0.00 C ATOM 751 CD PRO A 49 8.549 6.380 -7.168 1.00 0.00 C ATOM 0 HA PRO A 49 5.875 5.971 -5.244 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.579 5.605 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.468 7.197 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.503 6.234 -9.050 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.407 7.817 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.995 5.420 -7.428 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.349 7.120 -7.192 1.00 0.00 H new ATOM 759 N ILE A 50 5.651 3.539 -5.965 1.00 0.00 N ATOM 760 CA ILE A 50 5.750 2.105 -6.072 1.00 0.00 C ATOM 761 C ILE A 50 4.812 1.599 -7.149 1.00 0.00 C ATOM 762 O ILE A 50 3.594 1.603 -6.981 1.00 0.00 O ATOM 763 CB ILE A 50 5.457 1.374 -4.738 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.124 2.077 -3.551 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.948 -0.062 -4.814 1.00 0.00 C ATOM 766 CD1 ILE A 50 5.230 3.086 -2.860 1.00 0.00 C ATOM 0 H ILE A 50 4.730 3.902 -5.721 1.00 0.00 H new ATOM 0 HA ILE A 50 6.784 1.882 -6.337 1.00 0.00 H new ATOM 0 HB ILE A 50 4.378 1.390 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.438 1.327 -2.826 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.025 2.582 -3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.738 -0.569 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.436 -0.579 -5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.022 -0.070 -4.999 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.770 3.543 -2.031 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.936 3.858 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.340 2.584 -2.481 1.00 0.00 H new ATOM 778 N GLN A 51 5.385 1.215 -8.271 1.00 0.00 N ATOM 779 CA GLN A 51 4.622 0.600 -9.338 1.00 0.00 C ATOM 780 C GLN A 51 4.554 -0.894 -9.056 1.00 0.00 C ATOM 781 O GLN A 51 5.571 -1.577 -9.083 1.00 0.00 O ATOM 782 CB GLN A 51 5.282 0.882 -10.696 1.00 0.00 C ATOM 783 CG GLN A 51 4.300 1.141 -11.835 1.00 0.00 C ATOM 784 CD GLN A 51 3.709 -0.123 -12.439 1.00 0.00 C ATOM 785 OE1 GLN A 51 3.540 -1.137 -11.770 1.00 0.00 O ATOM 786 NE2 GLN A 51 3.379 -0.062 -13.719 1.00 0.00 N ATOM 0 H GLN A 51 6.380 1.318 -8.468 1.00 0.00 H new ATOM 0 HA GLN A 51 3.614 1.013 -9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.938 1.747 -10.595 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.912 0.034 -10.962 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.489 1.769 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.808 1.703 -12.619 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.534 0.798 -14.245 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.970 -0.875 -14.180 1.00 0.00 H new ATOM 795 N VAL A 52 3.366 -1.381 -8.738 1.00 0.00 N ATOM 796 CA VAL A 52 3.187 -2.764 -8.325 1.00 0.00 C ATOM 797 C VAL A 52 2.172 -3.489 -9.194 1.00 0.00 C ATOM 798 O VAL A 52 1.496 -2.885 -10.028 1.00 0.00 O ATOM 799 CB VAL A 52 2.724 -2.862 -6.857 1.00 0.00 C ATOM 800 CG1 VAL A 52 3.813 -2.393 -5.912 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.444 -2.067 -6.645 1.00 0.00 C ATOM 0 H VAL A 52 2.505 -0.835 -8.758 1.00 0.00 H new ATOM 0 HA VAL A 52 4.162 -3.238 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 52 2.517 -3.909 -6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.461 -2.472 -4.883 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.699 -3.014 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.063 -1.355 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.133 -2.149 -5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.621 -1.020 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.659 -2.462 -7.290 1.00 0.00 H new ATOM 811 N GLU A 53 2.064 -4.790 -8.965 1.00 0.00 N ATOM 812 CA GLU A 53 1.134 -5.636 -9.689 1.00 0.00 C ATOM 813 C GLU A 53 0.157 -6.283 -8.717 1.00 0.00 C ATOM 814 O GLU A 53 0.572 -6.872 -7.715 1.00 0.00 O ATOM 815 CB GLU A 53 1.897 -6.728 -10.448 1.00 0.00 C ATOM 816 CG GLU A 53 0.994 -7.718 -11.173 1.00 0.00 C ATOM 817 CD GLU A 53 1.749 -8.926 -11.692 1.00 0.00 C ATOM 818 OE1 GLU A 53 2.415 -8.807 -12.740 1.00 0.00 O ATOM 819 OE2 GLU A 53 1.678 -9.999 -11.050 1.00 0.00 O ATOM 0 H GLU A 53 2.621 -5.287 -8.270 1.00 0.00 H new ATOM 0 HA GLU A 53 0.583 -5.022 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.561 -6.257 -11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.528 -7.273 -9.745 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.207 -8.050 -10.495 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.505 -7.214 -12.007 1.00 0.00 H new ATOM 826 N THR A 54 -1.131 -6.157 -8.996 1.00 0.00 N ATOM 827 CA THR A 54 -2.135 -6.853 -8.218 1.00 0.00 C ATOM 828 C THR A 54 -2.324 -8.253 -8.794 1.00 0.00 C ATOM 829 O THR A 54 -2.457 -9.235 -8.062 1.00 0.00 O ATOM 830 CB THR A 54 -3.469 -6.086 -8.232 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.226 -4.695 -7.974 1.00 0.00 O ATOM 832 CG2 THR A 54 -4.431 -6.633 -7.188 1.00 0.00 C ATOM 0 H THR A 54 -1.501 -5.581 -9.752 1.00 0.00 H new ATOM 0 HA THR A 54 -1.801 -6.922 -7.183 1.00 0.00 H new ATOM 0 HB THR A 54 -3.923 -6.211 -9.215 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.076 -4.207 -7.985 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.364 -6.070 -7.223 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.633 -7.684 -7.395 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.986 -6.537 -6.198 1.00 0.00 H new ATOM 840 N ARG A 55 -2.308 -8.316 -10.120 1.00 0.00 N ATOM 841 CA ARG A 55 -2.338 -9.569 -10.868 1.00 0.00 C ATOM 842 C ARG A 55 -2.298 -9.246 -12.355 1.00 0.00 C ATOM 843 O ARG A 55 -1.499 -9.795 -13.109 1.00 0.00 O ATOM 844 CB ARG A 55 -3.584 -10.403 -10.547 1.00 0.00 C ATOM 845 CG ARG A 55 -3.554 -11.787 -11.179 1.00 0.00 C ATOM 846 CD ARG A 55 -4.785 -12.603 -10.821 1.00 0.00 C ATOM 847 NE ARG A 55 -6.017 -12.011 -11.344 1.00 0.00 N ATOM 848 CZ ARG A 55 -6.786 -12.589 -12.270 1.00 0.00 C ATOM 849 NH1 ARG A 55 -6.419 -13.741 -12.819 1.00 0.00 N ATOM 850 NH2 ARG A 55 -7.924 -12.017 -12.647 1.00 0.00 N ATOM 0 H ARG A 55 -2.273 -7.488 -10.715 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.472 -10.165 -10.580 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.677 -10.506 -9.466 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.470 -9.871 -10.894 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -3.486 -11.689 -12.263 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.660 -12.316 -10.850 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.675 -13.614 -11.214 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.858 -12.689 -9.737 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.305 -11.103 -10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -5.547 -14.187 -12.534 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.009 -14.180 -13.526 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.213 -11.133 -12.229 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.508 -12.462 -13.355 1.00 0.00 H new ATOM 864 N GLN A 56 -3.173 -8.341 -12.763 1.00 0.00 N ATOM 865 CA GLN A 56 -3.178 -7.835 -14.125 1.00 0.00 C ATOM 866 C GLN A 56 -3.171 -6.315 -14.144 1.00 0.00 C ATOM 867 O GLN A 56 -2.728 -5.700 -15.116 1.00 0.00 O ATOM 868 CB GLN A 56 -4.381 -8.367 -14.895 1.00 0.00 C ATOM 869 CG GLN A 56 -4.173 -9.768 -15.436 1.00 0.00 C ATOM 870 CD GLN A 56 -3.046 -9.826 -16.452 1.00 0.00 C ATOM 871 OE1 GLN A 56 -3.266 -9.642 -17.647 1.00 0.00 O ATOM 872 NE2 GLN A 56 -1.836 -10.087 -15.987 1.00 0.00 N ATOM 0 H GLN A 56 -3.894 -7.939 -12.164 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.269 -8.187 -14.613 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.253 -8.363 -14.241 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.600 -7.694 -15.724 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.952 -10.446 -14.611 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.096 -10.118 -15.898 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.694 -10.234 -14.988 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.044 -10.142 -16.628 1.00 0.00 H new ATOM 881 N THR A 57 -3.649 -5.706 -13.067 1.00 0.00 N ATOM 882 CA THR A 57 -3.643 -4.261 -12.969 1.00 0.00 C ATOM 883 C THR A 57 -2.375 -3.800 -12.261 1.00 0.00 C ATOM 884 O THR A 57 -1.911 -4.432 -11.304 1.00 0.00 O ATOM 885 CB THR A 57 -4.901 -3.720 -12.239 1.00 0.00 C ATOM 886 OG1 THR A 57 -4.928 -2.286 -12.282 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.953 -4.179 -10.789 1.00 0.00 C ATOM 0 H THR A 57 -4.041 -6.189 -12.259 1.00 0.00 H new ATOM 0 HA THR A 57 -3.663 -3.857 -13.981 1.00 0.00 H new ATOM 0 HB THR A 57 -5.771 -4.121 -12.759 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.728 -1.960 -11.819 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.848 -3.779 -10.313 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.978 -5.268 -10.753 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.070 -3.819 -10.261 1.00 0.00 H new ATOM 895 N SER A 58 -1.789 -2.728 -12.763 1.00 0.00 N ATOM 896 CA SER A 58 -0.600 -2.168 -12.160 1.00 0.00 C ATOM 897 C SER A 58 -0.938 -0.847 -11.496 1.00 0.00 C ATOM 898 O SER A 58 -1.672 -0.026 -12.053 1.00 0.00 O ATOM 899 CB SER A 58 0.488 -1.969 -13.208 1.00 0.00 C ATOM 900 OG SER A 58 0.752 -3.180 -13.897 1.00 0.00 O ATOM 0 H SER A 58 -2.120 -2.229 -13.589 1.00 0.00 H new ATOM 0 HA SER A 58 -0.226 -2.862 -11.407 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.179 -1.202 -13.918 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.400 -1.612 -12.729 1.00 0.00 H new ATOM 0 HG SER A 58 1.452 -3.030 -14.566 1.00 0.00 H new ATOM 906 N LEU A 59 -0.404 -0.650 -10.313 1.00 0.00 N ATOM 907 CA LEU A 59 -0.691 0.542 -9.540 1.00 0.00 C ATOM 908 C LEU A 59 0.578 1.270 -9.180 1.00 0.00 C ATOM 909 O LEU A 59 1.643 0.673 -9.071 1.00 0.00 O ATOM 910 CB LEU A 59 -1.475 0.196 -8.277 1.00 0.00 C ATOM 911 CG LEU A 59 -2.983 0.114 -8.474 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.624 -0.689 -7.356 1.00 0.00 C ATOM 913 CD2 LEU A 59 -3.587 1.510 -8.532 1.00 0.00 C ATOM 0 H LEU A 59 0.236 -1.303 -9.860 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.302 1.199 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.119 -0.760 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.261 0.945 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.179 -0.391 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.701 -0.737 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.213 -1.699 -7.351 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.418 -0.209 -6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.665 1.434 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.379 2.035 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.150 2.061 -9.365 1.00 0.00 H new ATOM 925 N ALA A 60 0.445 2.564 -9.013 1.00 0.00 N ATOM 926 CA ALA A 60 1.554 3.412 -8.620 1.00 0.00 C ATOM 927 C ALA A 60 1.130 4.274 -7.449 1.00 0.00 C ATOM 928 O ALA A 60 0.202 5.073 -7.564 1.00 0.00 O ATOM 929 CB ALA A 60 2.021 4.273 -9.789 1.00 0.00 C ATOM 0 H ALA A 60 -0.435 3.063 -9.145 1.00 0.00 H new ATOM 0 HA ALA A 60 2.395 2.787 -8.319 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.853 4.900 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.344 3.630 -10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.199 4.905 -10.127 1.00 0.00 H new ATOM 935 N LEU A 61 1.803 4.117 -6.326 1.00 0.00 N ATOM 936 CA LEU A 61 1.412 4.805 -5.115 1.00 0.00 C ATOM 937 C LEU A 61 2.583 5.604 -4.597 1.00 0.00 C ATOM 938 O LEU A 61 3.735 5.246 -4.830 1.00 0.00 O ATOM 939 CB LEU A 61 0.899 3.828 -4.046 1.00 0.00 C ATOM 940 CG LEU A 61 1.830 2.670 -3.682 1.00 0.00 C ATOM 941 CD1 LEU A 61 1.594 2.238 -2.244 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.603 1.489 -4.615 1.00 0.00 C ATOM 0 H LEU A 61 2.623 3.519 -6.229 1.00 0.00 H new ATOM 0 HA LEU A 61 0.588 5.479 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.687 4.394 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.047 3.411 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 61 2.859 3.012 -3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.263 1.413 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.790 3.076 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.560 1.914 -2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.274 0.675 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.570 1.152 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.802 1.793 -5.642 1.00 0.00 H new ATOM 954 N ARG A 62 2.292 6.701 -3.933 1.00 0.00 N ATOM 955 CA ARG A 62 3.330 7.584 -3.464 1.00 0.00 C ATOM 956 C ARG A 62 3.639 7.310 -2.003 1.00 0.00 C ATOM 957 O ARG A 62 2.995 6.477 -1.365 1.00 0.00 O ATOM 958 CB ARG A 62 2.913 9.046 -3.655 1.00 0.00 C ATOM 959 CG ARG A 62 2.909 9.502 -5.110 1.00 0.00 C ATOM 960 CD ARG A 62 1.828 8.816 -5.931 1.00 0.00 C ATOM 961 NE ARG A 62 0.490 9.322 -5.613 1.00 0.00 N ATOM 962 CZ ARG A 62 -0.646 8.660 -5.856 1.00 0.00 C ATOM 963 NH1 ARG A 62 -0.626 7.479 -6.458 1.00 0.00 N ATOM 964 NH2 ARG A 62 -1.809 9.197 -5.508 1.00 0.00 N ATOM 0 H ARG A 62 1.344 7.001 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 62 4.231 7.400 -4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.916 9.187 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.590 9.684 -3.086 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.761 10.581 -5.149 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.883 9.298 -5.554 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.029 8.966 -6.992 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.862 7.742 -5.749 1.00 0.00 H new ATOM 0 HE ARG A 62 0.421 10.241 -5.177 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.263 7.066 -6.741 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.499 6.983 -6.638 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.834 10.112 -5.057 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.678 8.695 -5.692 1.00 0.00 H new ATOM 978 N ARG A 63 4.630 8.014 -1.486 1.00 0.00 N ATOM 979 CA ARG A 63 4.987 7.950 -0.074 1.00 0.00 C ATOM 980 C ARG A 63 3.777 8.236 0.812 1.00 0.00 C ATOM 981 O ARG A 63 3.631 7.669 1.894 1.00 0.00 O ATOM 982 CB ARG A 63 6.103 8.954 0.203 1.00 0.00 C ATOM 983 CG ARG A 63 5.806 10.353 -0.318 1.00 0.00 C ATOM 984 CD ARG A 63 7.030 11.246 -0.256 1.00 0.00 C ATOM 985 NE ARG A 63 7.465 11.493 1.114 1.00 0.00 N ATOM 986 CZ ARG A 63 8.730 11.732 1.459 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.700 11.615 0.559 1.00 0.00 N ATOM 988 NH2 ARG A 63 9.026 12.055 2.709 1.00 0.00 N ATOM 0 H ARG A 63 5.213 8.648 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 63 5.334 6.944 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.276 9.005 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.026 8.594 -0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.453 10.291 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.002 10.797 0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.843 10.784 -0.815 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.809 12.196 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 63 6.760 11.482 1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.477 11.342 -0.398 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.667 11.798 0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.286 12.121 3.408 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.994 12.238 2.973 1.00 0.00 H new ATOM 1002 N LYS A 64 2.917 9.120 0.328 1.00 0.00 N ATOM 1003 CA LYS A 64 1.681 9.470 1.014 1.00 0.00 C ATOM 1004 C LYS A 64 0.799 8.239 1.214 1.00 0.00 C ATOM 1005 O LYS A 64 0.266 8.013 2.302 1.00 0.00 O ATOM 1006 CB LYS A 64 0.936 10.539 0.211 1.00 0.00 C ATOM 1007 CG LYS A 64 -0.354 11.005 0.854 1.00 0.00 C ATOM 1008 CD LYS A 64 -1.017 12.097 0.031 1.00 0.00 C ATOM 1009 CE LYS A 64 -2.319 12.556 0.666 1.00 0.00 C ATOM 1010 NZ LYS A 64 -2.962 13.658 -0.099 1.00 0.00 N ATOM 0 H LYS A 64 3.056 9.616 -0.553 1.00 0.00 H new ATOM 0 HA LYS A 64 1.926 9.866 1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.592 11.398 0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.714 10.145 -0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.036 10.161 0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.149 11.377 1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.339 12.945 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.212 11.728 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.006 11.712 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.126 12.889 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.846 13.938 0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.318 14.474 -0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.172 13.334 -1.065 1.00 0.00 H new ATOM 1024 N ASP A 65 0.658 7.443 0.159 1.00 0.00 N ATOM 1025 CA ASP A 65 -0.130 6.219 0.209 1.00 0.00 C ATOM 1026 C ASP A 65 0.541 5.203 1.122 1.00 0.00 C ATOM 1027 O ASP A 65 -0.119 4.531 1.919 1.00 0.00 O ATOM 1028 CB ASP A 65 -0.273 5.623 -1.194 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.827 6.602 -2.212 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.040 7.418 -2.739 1.00 0.00 O ATOM 1031 OD2 ASP A 65 -2.043 6.553 -2.495 1.00 0.00 O ATOM 0 H ASP A 65 1.084 7.628 -0.749 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.119 6.460 0.599 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.702 5.272 -1.532 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.927 4.752 -1.146 1.00 0.00 H new ATOM 1036 N LEU A 66 1.862 5.114 1.009 1.00 0.00 N ATOM 1037 CA LEU A 66 2.658 4.195 1.820 1.00 0.00 C ATOM 1038 C LEU A 66 2.475 4.486 3.307 1.00 0.00 C ATOM 1039 O LEU A 66 2.413 3.573 4.124 1.00 0.00 O ATOM 1040 CB LEU A 66 4.140 4.310 1.448 1.00 0.00 C ATOM 1041 CG LEU A 66 5.085 3.398 2.238 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.777 1.938 1.955 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.533 3.712 1.903 1.00 0.00 C ATOM 0 H LEU A 66 2.411 5.674 0.356 1.00 0.00 H new ATOM 0 HA LEU A 66 2.315 3.180 1.620 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.250 4.088 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.455 5.344 1.591 1.00 0.00 H new ATOM 0 HG LEU A 66 4.931 3.582 3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.458 1.305 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.750 1.720 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.902 1.739 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.189 3.055 2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.702 3.557 0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.749 4.750 2.158 1.00 0.00 H new ATOM 1055 N ALA A 67 2.375 5.762 3.647 1.00 0.00 N ATOM 1056 CA ALA A 67 2.220 6.171 5.037 1.00 0.00 C ATOM 1057 C ALA A 67 0.884 5.706 5.613 1.00 0.00 C ATOM 1058 O ALA A 67 0.751 5.518 6.823 1.00 0.00 O ATOM 1059 CB ALA A 67 2.344 7.682 5.155 1.00 0.00 C ATOM 0 H ALA A 67 2.398 6.533 2.980 1.00 0.00 H new ATOM 0 HA ALA A 67 3.015 5.698 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.227 7.976 6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.325 7.996 4.798 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.570 8.159 4.554 1.00 0.00 H new ATOM 1065 N LEU A 68 -0.097 5.500 4.744 1.00 0.00 N ATOM 1066 CA LEU A 68 -1.437 5.131 5.181 1.00 0.00 C ATOM 1067 C LEU A 68 -1.583 3.617 5.297 1.00 0.00 C ATOM 1068 O LEU A 68 -2.512 3.123 5.937 1.00 0.00 O ATOM 1069 CB LEU A 68 -2.481 5.680 4.204 1.00 0.00 C ATOM 1070 CG LEU A 68 -2.441 7.195 4.001 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -3.500 7.622 2.999 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -2.629 7.928 5.327 1.00 0.00 C ATOM 0 H LEU A 68 0.010 5.582 3.733 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.600 5.567 6.167 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.343 5.195 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.473 5.402 4.561 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.461 7.461 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.459 8.703 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.316 7.131 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.486 7.339 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.597 9.004 5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.593 7.658 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.832 7.646 6.015 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.654 2.883 4.701 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.742 1.430 4.667 1.00 0.00 C ATOM 1086 C LEU A 69 0.326 0.792 5.543 1.00 0.00 C ATOM 1087 O LEU A 69 1.447 1.287 5.635 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.592 0.922 3.231 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.714 1.329 2.275 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.383 0.896 0.854 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -3.035 0.714 2.715 1.00 0.00 C ATOM 0 H LEU A 69 0.168 3.269 4.235 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.722 1.149 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.354 1.286 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.531 -0.166 3.252 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.809 2.415 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.191 1.193 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.455 1.372 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.265 -0.187 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.824 1.013 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.948 -0.372 2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.281 1.060 3.719 1.00 0.00 H new ATOM 1103 N THR A 70 -0.025 -0.302 6.199 1.00 0.00 N ATOM 1104 CA THR A 70 0.959 -1.074 6.929 1.00 0.00 C ATOM 1105 C THR A 70 1.347 -2.298 6.115 1.00 0.00 C ATOM 1106 O THR A 70 0.528 -3.191 5.874 1.00 0.00 O ATOM 1107 CB THR A 70 0.434 -1.509 8.302 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.120 -0.377 8.990 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.542 -2.122 9.149 1.00 0.00 C ATOM 0 H THR A 70 -0.975 -0.670 6.240 1.00 0.00 H new ATOM 0 HA THR A 70 1.832 -0.442 7.093 1.00 0.00 H new ATOM 0 HB THR A 70 -0.337 -2.264 8.145 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.456 -0.659 9.866 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.138 -2.420 10.116 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.948 -2.996 8.640 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.335 -1.389 9.297 1.00 0.00 H new ATOM 1117 N LEU A 71 2.593 -2.324 5.690 1.00 0.00 N ATOM 1118 CA LEU A 71 3.080 -3.366 4.805 1.00 0.00 C ATOM 1119 C LEU A 71 4.073 -4.269 5.514 1.00 0.00 C ATOM 1120 O LEU A 71 4.856 -3.819 6.352 1.00 0.00 O ATOM 1121 CB LEU A 71 3.747 -2.757 3.567 1.00 0.00 C ATOM 1122 CG LEU A 71 2.858 -1.843 2.718 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.612 -1.365 1.488 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.588 -2.567 2.310 1.00 0.00 C ATOM 0 H LEU A 71 3.294 -1.629 5.945 1.00 0.00 H new ATOM 0 HA LEU A 71 2.219 -3.960 4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.619 -2.188 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.111 -3.568 2.936 1.00 0.00 H new ATOM 0 HG LEU A 71 2.584 -0.975 3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.967 -0.717 0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.498 -0.811 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.912 -2.224 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.968 -1.903 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.845 -3.452 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.038 -2.867 3.202 1.00 0.00 H new ATOM 1136 N VAL A 72 4.019 -5.542 5.180 1.00 0.00 N ATOM 1137 CA VAL A 72 4.978 -6.511 5.666 1.00 0.00 C ATOM 1138 C VAL A 72 5.589 -7.250 4.481 1.00 0.00 C ATOM 1139 O VAL A 72 4.877 -7.810 3.648 1.00 0.00 O ATOM 1140 CB VAL A 72 4.340 -7.518 6.655 1.00 0.00 C ATOM 1141 CG1 VAL A 72 3.977 -6.827 7.963 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.107 -8.180 6.048 1.00 0.00 C ATOM 0 H VAL A 72 3.308 -5.934 4.563 1.00 0.00 H new ATOM 0 HA VAL A 72 5.754 -5.975 6.213 1.00 0.00 H new ATOM 0 HB VAL A 72 5.076 -8.295 6.861 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.530 -7.550 8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.876 -6.409 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.264 -6.026 7.766 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.681 -8.882 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.368 -7.417 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.390 -8.715 5.142 1.00 0.00 H new ATOM 1152 N PRO A 73 6.917 -7.228 4.358 1.00 0.00 N ATOM 1153 CA PRO A 73 7.602 -7.817 3.211 1.00 0.00 C ATOM 1154 C PRO A 73 7.529 -9.339 3.209 1.00 0.00 C ATOM 1155 O PRO A 73 7.257 -9.964 4.236 1.00 0.00 O ATOM 1156 CB PRO A 73 9.061 -7.363 3.385 1.00 0.00 C ATOM 1157 CG PRO A 73 9.036 -6.313 4.448 1.00 0.00 C ATOM 1158 CD PRO A 73 7.854 -6.632 5.312 1.00 0.00 C ATOM 0 HA PRO A 73 7.150 -7.502 2.271 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.699 -8.198 3.675 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.461 -6.966 2.452 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.958 -6.323 5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.944 -5.318 4.012 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.112 -7.324 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.442 -5.739 5.782 1.00 0.00 H new ATOM 1166 N LEU A 74 7.776 -9.926 2.049 1.00 0.00 N ATOM 1167 CA LEU A 74 7.919 -11.367 1.943 1.00 0.00 C ATOM 1168 C LEU A 74 9.268 -11.799 2.501 1.00 0.00 C ATOM 1169 O LEU A 74 9.382 -12.829 3.167 1.00 0.00 O ATOM 1170 CB LEU A 74 7.803 -11.807 0.484 1.00 0.00 C ATOM 1171 CG LEU A 74 6.453 -11.538 -0.183 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.435 -12.117 -1.588 1.00 0.00 C ATOM 1173 CD2 LEU A 74 5.318 -12.120 0.642 1.00 0.00 C ATOM 0 H LEU A 74 7.882 -9.425 1.167 1.00 0.00 H new ATOM 0 HA LEU A 74 7.123 -11.838 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.579 -11.303 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.009 -12.876 0.428 1.00 0.00 H new ATOM 0 HG LEU A 74 6.311 -10.459 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.468 -11.918 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.224 -11.655 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.600 -13.193 -1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.368 -11.916 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.453 -13.197 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.317 -11.664 1.632 1.00 0.00 H new ATOM 1185 N ASP A 75 10.283 -10.991 2.225 1.00 0.00 N ATOM 1186 CA ASP A 75 11.639 -11.276 2.664 1.00 0.00 C ATOM 1187 C ASP A 75 12.194 -10.100 3.453 1.00 0.00 C ATOM 1188 O ASP A 75 12.454 -9.040 2.844 1.00 0.00 O ATOM 1189 CB ASP A 75 12.541 -11.581 1.466 1.00 0.00 C ATOM 1190 CG ASP A 75 13.997 -11.723 1.862 1.00 0.00 C ATOM 1191 OD1 ASP A 75 14.300 -12.550 2.746 1.00 0.00 O ATOM 1192 OD2 ASP A 75 14.842 -10.996 1.301 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.356 -10.230 4.685 1.00 0.00 O ATOM 0 H ASP A 75 10.189 -10.125 1.694 1.00 0.00 H new ATOM 0 HA ASP A 75 11.615 -12.154 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 75 12.206 -12.501 0.987 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.444 -10.784 0.729 1.00 0.00 H new